From 351877c0dacd5079cbde563e4c1e1c93f621a253 Mon Sep 17 00:00:00 2001 From: j0kaso Date: Thu, 7 Jul 2022 13:10:05 +0200 Subject: [PATCH 1/7] [stability-pipeline] bugfix restarts without present pdb files --- .../rosetta_ddG_pipeline/parser_ddg_v2.py | 31 ++++++++++++------- software/rosetta_ddG_pipeline/run_modes.py | 9 ++++++ .../rosetta_ddG_pipeline/structure_input.py | 7 ++++- 3 files changed, 34 insertions(+), 13 deletions(-) diff --git a/software/rosetta_ddG_pipeline/parser_ddg_v2.py b/software/rosetta_ddG_pipeline/parser_ddg_v2.py index bccc476..deafaf9 100644 --- a/software/rosetta_ddG_pipeline/parser_ddg_v2.py +++ b/software/rosetta_ddG_pipeline/parser_ddg_v2.py @@ -5,6 +5,7 @@ from parse_cartesian_functions import rosetta_cartesian_read, ddgs_from_dg import numpy as np import re +import sys from argparse import ArgumentParser from helper import read_slurms, runtime_memory_stats @@ -240,17 +241,23 @@ def get_vars(x): if __name__ == '__main__': print(sys.argv) - base_mut = os.path.join(sys.argv[13], 'mutation_clean.txt') - all_calculated, df_all = quickcheck( sys.argv[4], base_mut ) - print(f'all calculated: {all_calculated}') + # check if pdb is present + if os.path.isfile(sys.argv[6]): + # check if all calculated + base_mut = os.path.join(sys.argv[13], 'mutation_clean.txt') + all_calculated, df_all = quickcheck( sys.argv[4], base_mut ) + print(f'all calculated: {all_calculated}') - if all_calculated: - parse_rosetta_ddgs(sys_name=sys.argv[1], chain_id=sys.argv[2], fasta_seq=sys.argv[3], - ddG_run=sys.argv[4], ddG_output=sys.argv[5], structure_input=sys.argv[6], - ddG_input=sys.argv[7], output=sys.argv[8], prepare_checking=sys.argv[9], output_gaps=eval(sys.argv[10]), - zip_files=eval(sys.argv[11]), sha_tag=sys.argv[12], is_MP=eval(sys.argv[14]), scale_factor=float(sys.argv[15])) + if all_calculated: + parse_rosetta_ddgs(sys_name=sys.argv[1], chain_id=sys.argv[2], fasta_seq=sys.argv[3], + ddG_run=sys.argv[4], ddG_output=sys.argv[5], structure_input=sys.argv[6], + ddG_input=sys.argv[7], output=sys.argv[8], prepare_checking=sys.argv[9], output_gaps=eval(sys.argv[10]), + zip_files=eval(sys.argv[11]), sha_tag=sys.argv[12], is_MP=eval(sys.argv[14]), scale_factor=float(sys.argv[15])) + else: + print(f"sys args before rerun: {sys.argv}") + folder = AttrDict() + folder.update({'ddG_input': sys.argv[7], 'ddG_run': sys.argv[4]}) + run_modes.ddg_calculation(folder, parse_relax_process_id=None) else: - print(f"sys args before rerun: {sys.argv}") - folder = AttrDict() - folder.update({'ddG_input': sys.argv[7], 'ddG_run': sys.argv[4]}) - run_modes.ddg_calculation(folder, parse_relax_process_id=None) + print(f"{sys.argv[6]} not present") + sys.exit() diff --git a/software/rosetta_ddG_pipeline/run_modes.py b/software/rosetta_ddG_pipeline/run_modes.py index ecdf400..7ad92c4 100644 --- a/software/rosetta_ddG_pipeline/run_modes.py +++ b/software/rosetta_ddG_pipeline/run_modes.py @@ -12,6 +12,7 @@ from os.path import join import glob import subprocess +import sys from get_memory_stats import check_memory @@ -32,6 +33,10 @@ def check_relax_done_launch_rest(folder): logger.info(f'ddG process ID info: {parse_relax_process_id}') return parse_relax_process_id else: + if len(glob.glob(join(folder.relax_input, '*.pdb')))==0: + print('relax not run - no input pdb present') + sys.exit() + return print('Relaxation not performed. Starting run now.') return relaxation(folder) @@ -67,6 +72,10 @@ def ddg_calculation(folder, parse_relax_process_id=None, mp_multistruc=0): if parse_relax_process_id == None: dependency = '' parse_relax_process_id = '' + if len(glob.glob(join(folder.ddG_input, '*.pdb')))==0: + print('ddG not run - no input pdb present') + sys.exit() + return else: dependency = '--dependency=afterany:' diff --git a/software/rosetta_ddG_pipeline/structure_input.py b/software/rosetta_ddG_pipeline/structure_input.py index 11538c7..8092064 100755 --- a/software/rosetta_ddG_pipeline/structure_input.py +++ b/software/rosetta_ddG_pipeline/structure_input.py @@ -465,11 +465,16 @@ def write_rosetta_cartesian_ddg_sbatch(self, folder, input_mutfiles='', ddgfile= echo $INDEX # launching rosetta +if test -f "{structure_path}"; then ''') - fp.write((f'{os.path.join(rosetta_paths.path_to_rosetta, f"bin/cartesian_ddg.{rosetta_paths.Rosetta_extension}")} ' + fp.write((f'\t{os.path.join(rosetta_paths.path_to_rosetta, f"bin/cartesian_ddg.{rosetta_paths.Rosetta_extension}")} ' f'-s {structure_path} -ddg:mut_file ${{LST[$INDEX]}} ' f' -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID @{path_to_ddgflags}' f' -ddg::dump_pdbs {dump_pdb} ')) + fp.write(f'''\nelse +\techo "{structure_path} does not exist - exiting the call" +fi +''') self.logger.info(path_to_sbatch) return path_to_sbatch From 75ceef36187d6218d7507365990a8644a3507bec Mon Sep 17 00:00:00 2001 From: j0kaso Date: Tue, 12 Jul 2022 12:33:10 +0200 Subject: [PATCH 2/7] [test-stability-mp] update test for stability pipeline and add test for deepTMHMM --- .../ddG/input/ddg_flagfile | 12 + .../ddG/input/mutfiles/mutfile00010 | 5 + .../ddG/input/mutfiles/mutfile00100 | 5 + .../ddG/input/mutfiles/mutfile111_164 | 7 + .../ddG/input/parse_ddgs.sbatch | 9 + .../ddG/input/rosetta_ddg.sbatch | 18 + .../ddG/input/spanfiles/A/TMRs.gff3 | 16 + .../input/spanfiles/A/deeptmhmm_results.md | 32 + .../ddG/input/spanfiles/A/input_probs.csv | 184 + .../spanfiles/A/predicted_topologies.3line | 3 + .../ddG/input/spanfiles/A/query.fasta | 2 + .../ddG/input/spanfiles/input_A_A.span | 10 + .../input/6xro_final_renum.pdb | 1492 +++++ .../input/args.info | 43 + .../input/cartesian_ddg_flagfile | 12 + .../input/inputs.info | 5 + .../input/mutations/mutfile00010 | 5 + .../input/mutations/mutfile00100 | 5 + .../input/mutations/mutfile111_164 | 7 + .../input/relax.xml | 34 + .../input/relax_flagfile | 16 + .../prepare/checking/alignment.txt | 10 + .../prepare/checking/fasta_file.fasta | 4 + .../prepare/checking/structure_input.json | 1293 ++++ .../prepare/checking/uniprot_index_list.txt | 182 + .../prepare/cleaning/backup.pdb | 1452 ++++ .../prepare/cleaning/input_A.fasta | 2 + .../prepare/cleaning/input_A.pdb | 1452 ++++ .../prepare/cleaning/mutation_clean.txt | 3 + .../prepare/cleaning/structure_input_A.json | 1293 ++++ .../prepare/cleaning/withHETATM.pdb | 1492 +++++ .../prepare/input/input.pdb | 1451 ++++ .../mp_files/membrane_span/A/TMRs.gff3 | 16 + .../membrane_span/A/deeptmhmm_results.md | 32 + .../mp_files/membrane_span/A/input_probs.csv | 184 + .../A/predicted_topologies.3line | 3 + .../mp_files/membrane_span/A/query.fasta | 2 + .../mp_files/membrane_span/input_A_A.span | 10 + .../mp_lipid_acc/mp_lipid_acc_dic.json | 184 + .../prepare/mp_files/mp_lipid_acc/score.sc | 3 + .../mp_lipid_acc/superposed_struc_0001.pdb | 2927 +++++++++ .../superposed_struc_DLPC_ellipse.dat | 7 + .../mp_files/superpose/backup_0001.pdb | 3167 +++++++++ .../prepare/mp_files/superpose/score.sc | 3 + .../mp_files/superpose/superposed_struc.pdb | 1453 ++++ .../prepare/mutfiles/mutfile00010 | 5 + .../prepare/mutfiles/mutfile00100 | 5 + .../prepare/mutfiles/mutfile111_164 | 7 + .../prepare/output/mutfiles/mutfile00010 | 5 + .../prepare/output/mutfiles/mutfile00100 | 5 + .../prepare/output/mutfiles/mutfile111_164 | 7 + .../prepare/output/output.pdb | 1453 ++++ .../prepare/output/spanfiles/A/TMRs.gff3 | 16 + .../output/spanfiles/A/deeptmhmm_results.md | 32 + .../output/spanfiles/A/input_probs.csv | 184 + .../spanfiles/A/predicted_topologies.3line | 3 + .../prepare/output/spanfiles/A/query.fasta | 2 + .../prepare/output/spanfiles/input_A_A.span | 10 + .../relax/input/input.pdb | 1453 ++++ .../relax/input/parse_relax.sbatch | 8 + .../relax/input/relax.xml | 34 + .../relax/input/rosetta_relax.sbatch | 9 + .../relax/input/spanfiles/A/TMRs.gff3 | 16 + .../input/spanfiles/A/deeptmhmm_results.md | 32 + .../relax/input/spanfiles/A/input_probs.csv | 184 + .../spanfiles/A/predicted_topologies.3line | 3 + .../relax/input/spanfiles/A/query.fasta | 2 + .../relax/input/spanfiles/input_A_A.span | 10 + .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/rosetta_ddg.sbatch | 6 +- .../ddG/input/spanfiles/input_A.span | 2 +- .../prepare/cleaning/input_A.pdb | 2644 ++++---- .../prepare/cleaning/withHETATM.pdb | 2646 ++++---- .../prepare/input/input.pdb | 2646 ++++---- .../mp_files/membrane_span/input_A.span | 2 +- .../mp_files/mp_lipid_acc/input_A_0001.pdb | 2646 ++++---- .../mp_lipid_acc/mp_lipid_acc_dic.json | 8 +- .../mp_files/superpose/input_mp_aligned.pdb | 2646 ++++---- .../mp_files/superpose/input_mp_aligned.pml | 15 + .../superpose/input_mp_aligned_all.pml | 15 + .../superpose/input_mp_aligned_all_atm.pml | 15 + .../input_mp_aligned_all_atm_lig.pml | 15 + .../superpose/input_mp_aligned_atm.pml | 15 + .../prepare/output/output.pdb | 2644 ++++---- .../prepare/output/spanfiles/input_A.span | 2 +- .../relax/input/input.pdb | 2644 ++++---- .../relax/input/spanfiles/input_A.span | 2 +- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/rosetta_ddg.sbatch | 6 +- .../prepare/cleaning/input_A.pdb | 2902 ++++---- .../prepare/cleaning/withHETATM.pdb | 2986 +++++---- .../prepare/input/input.pdb | 2904 ++++---- .../mp_lipid_acc/input_A_DLPC_ellipse.dat | 4 +- .../mp_files/superpose/input_mp_aligned.pdb | 2986 +++++---- .../mp_files/superpose/input_mp_aligned.pml | 15 + .../superpose/input_mp_aligned_all.pml | 15 + .../superpose/input_mp_aligned_all_atm.pml | 15 + .../input_mp_aligned_all_atm_lig.pml | 15 + .../superpose/input_mp_aligned_atm.pml | 15 + .../prepare/output/output.pdb | 2902 ++++---- .../relax/input/input.pdb | 2902 ++++---- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/rosetta_ddg.sbatch | 6 +- .../prepare/cleaning/input_A.pdb | 2902 ++++---- .../prepare/cleaning/withHETATM.pdb | 2986 +++++---- .../prepare/input/input.pdb | 2904 ++++---- .../mp_files/mp_lipid_acc/input_A_0001.pdb | 5826 ++++++++-------- .../mp_lipid_acc/input_A_DLPC_ellipse.dat | 4 +- .../mp_files/superpose/input_mp_aligned.pdb | 2986 +++++---- .../mp_files/superpose/input_mp_aligned.pml | 15 + .../superpose/input_mp_aligned_all.pml | 15 + .../superpose/input_mp_aligned_all_atm.pml | 15 + .../input_mp_aligned_all_atm_lig.pml | 15 + .../superpose/input_mp_aligned_atm.pml | 15 + .../prepare/output/output.pdb | 2902 ++++---- .../relax/input/input.pdb | 2902 ++++---- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/rosetta_ddg.sbatch | 6 +- .../prepare/cleaning/input_A.pdb | 2902 ++++---- .../prepare/cleaning/withHETATM.pdb | 2986 +++++---- .../prepare/input/input.pdb | 2904 ++++---- .../mp_files/mp_lipid_acc/input_A_0001.pdb | 5828 +++++++++-------- .../mp_lipid_acc/input_A_DLPC_ellipse.dat | 4 +- .../mp_files/superpose/input_mp_aligned.pdb | 2986 +++++---- .../mp_files/superpose/input_mp_aligned.pml | 15 + .../superpose/input_mp_aligned_all.pml | 15 + .../superpose/input_mp_aligned_all_atm.pml | 15 + .../input_mp_aligned_all_atm_lig.pml | 15 + .../superpose/input_mp_aligned_atm.pml | 15 + .../prepare/mp_files/superpose/ref_opm.pdb | 822 +-- .../prepare/output/output.pdb | 2902 ++++---- .../relax/input/input.pdb | 2902 ++++---- .../GlpG_cutoffs.txt | 10 + .../ref_ddG.txt | 308 +- .../test/test_mp_pipeline.py | 236 +- 135 files changed, 64604 insertions(+), 42080 deletions(-) create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/ddg_flagfile create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00010 create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00100 create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile111_164 create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/rosetta_ddg.sbatch create mode 100644 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100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_atm.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/ddg_flagfile b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/ddg_flagfile new file mode 100644 index 0000000..58ba842 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/ddg_flagfile @@ -0,0 +1,12 @@ +-fa_max_dis 9.0 +-ddg::dump_pdbs false +-ddg:iterations 3 +-score:weights beta_nov16_cart +-missing_density_to_jump +-ddg:mut_only +-ddg:bbnbrs 1 +-beta_cart +-ex1 +-ex2 +-ddg::legacy true +-optimize_proline true diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00010 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00010 new file mode 100644 index 0000000..1026e0c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00010 @@ -0,0 +1,5 @@ +total 2 +1 +M 10 M +1 +M 10 A \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00100 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00100 new file mode 100644 index 0000000..0605827 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile00100 @@ -0,0 +1,5 @@ +total 2 +1 +Q 100 Q +1 +Q 100 A \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile111_164 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile111_164 new file mode 100644 index 0000000..b61425b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/mutfiles/mutfile111_164 @@ -0,0 +1,7 @@ +total 4 +2 +S 111 S +H 164 H +2 +S 111 A +H 164 A diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch new file mode 100644 index 0000000..72af4af --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch @@ -0,0 +1,9 @@ +#!/bin/sh +#SBATCH --job-name=6xro_final_renum_p-ddg +#SBATCH --array=1 +#SBATCH --nodes=1 +#SBATCH --time=0:10:00 +#SBATCH --partition=sbinlab + +#This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs +python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/rosetta_ddg.sbatch new file mode 100644 index 0000000..f3be1e2 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/rosetta_ddg.sbatch @@ -0,0 +1,18 @@ +#!/bin/sh +#SBATCH --job-name=6xro_final_renum_MPcartddg +#SBATCH --array=0-2 +#SBATCH --time=48:00:00 +#SBATCH --mem 2000 +#SBATCH --partition=sbinlab +#SBATCH --nice +LST=(`ls /ddG/input/mutfiles/mutfile*`) +OFFSET=0 +INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) +echo $INDEX + +# launching rosetta +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/TMRs.gff3 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/TMRs.gff3 new file mode 100644 index 0000000..d5a22b3 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/TMRs.gff3 @@ -0,0 +1,16 @@ +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/deeptmhmm_results.md b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/deeptmhmm_results.md new file mode 100644 index 0000000..a8d131c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/deeptmhmm_results.md @@ -0,0 +1,32 @@ +## DeepTMHMM - Predictions +Predicted topologies can be downloaded in [.gff3 format](TMRs.gff3) and [.3line format](predicted_topologies.3line) +![picture](plot.png) +You can download the probabilities used to generate this plot [here](input_probs.csv) +### Predicted Topologies +``` +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII + +``` + + +``` +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 + +``` diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/input_probs.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/input_probs.csv new file mode 100644 index 0000000..dcaeb2b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/input_probs.csv @@ -0,0 +1,184 @@ +# input +#AA,Beta,Periplasm,Membrane,Inside,Outside,Signal +0 E,0.0,0.0,0.0,0.99942,0.00023,0.0 +1 R,0.0,0.0,0.00018,0.99921,0.00023,0.0 +2 A,0.0,0.0,0.01323,0.98618,0.00019,0.0 +3 G,0.0,0.0,0.10431,0.89527,2e-05,0.0 +4 P,0.0,0.0,0.47862,0.52095,0.0,0.0 +5 V,0.0,0.0,0.85568,0.14391,0.0,0.0 +6 T,0.0,0.0,0.90611,0.09348,0.0,0.0 +7 W,0.0,0.0,0.98479,0.0148,0.0,0.0 +8 V,0.0,0.0,0.99921,0.00038,0.0,0.0 +9 M,0.0,0.0,0.99955,3e-05,0.0,0.0 +10 M,0.0,0.0,0.99958,0.0,0.0,0.0 +11 I,0.0,0.0,0.99957,0.0,0.0,0.0 +12 A,0.0,0.0,0.99955,0.0,0.0,0.0 +13 C,0.0,0.0,0.99933,0.00021,0.0,0.0 +14 V,0.0,0.0,0.9995,2e-05,0.0,0.0 +15 V,0.0,0.0,0.99953,0.0,0.0,0.0 +16 V,0.0,0.0,0.99953,0.0,0.0,0.0 +17 F,0.0,0.0,0.99953,0.0,0.0,0.0 +18 I,0.0,0.0,0.99954,0.0,0.0,0.0 +19 A,0.0,0.0,0.99956,0.0,0.0,0.0 +20 M,0.0,0.0,0.99948,0.0,5e-05,0.0 +21 Q,0.0,0.0,0.99788,0.0,0.00164,0.0 +22 I,0.0,0.0,0.99017,0.0,0.00935,0.0 +23 L,0.0,0.0,0.86894,0.0,0.13061,0.0 +24 G,0.0,0.0,0.22113,0.0,0.7784,0.0 +25 D,0.0,0.0,0.00531,0.0,0.99422,0.0 +26 Q,0.0,0.0,4e-05,0.0,0.99948,0.0 +27 E,0.0,0.0,0.0,0.0,0.99954,0.0 +28 V,0.0,0.0,0.0,0.0,0.99954,0.0 +29 M,0.0,0.0,0.0,0.0,0.99957,0.0 +30 L,0.0,0.0,0.0,0.0,0.99957,0.0 +31 W,0.0,0.0,0.0,0.0,0.9996,0.0 +32 L,0.0,0.0,0.0,0.0,0.9996,0.0 +33 A,0.0,0.0,0.0,0.0,0.9996,0.0 +34 W,0.0,0.0,0.0,0.0,0.9996,0.0 +35 P,0.0,0.0,0.0,0.0,0.99963,0.0 +36 F,0.0,0.0,0.0,0.0,0.99963,0.0 +37 D,0.0,0.0,0.0,0.0,0.99966,0.0 +38 P,0.0,0.0,0.0,0.0,0.99966,0.0 +39 T,0.0,0.0,0.0,0.0,0.99969,0.0 +40 L,0.0,0.0,0.0,0.0,0.99969,0.0 +41 K,0.0,0.0,0.0,0.0,0.99969,0.0 +42 F,0.0,0.0,0.0,0.0,0.99969,0.0 +43 E,0.0,0.0,0.0,0.0,0.99969,0.0 +44 F,0.0,0.0,0.0,0.0,0.99973,0.0 +45 W,0.0,0.0,0.0,0.0,0.99976,0.0 +46 R,0.0,0.0,0.0,0.0,0.99976,0.0 +47 Y,0.0,0.0,3e-05,0.0,0.99973,0.0 +48 F,0.0,0.0,0.00047,0.0,0.99933,0.0 +49 T,0.0,0.0,0.00101,0.0,0.99878,0.0 +50 H,0.0,0.0,0.00757,0.0,0.99222,0.0 +51 A,0.0,0.0,0.82764,0.0,0.17215,0.0 +52 L,0.0,0.0,0.95624,0.0,0.04355,0.0 +53 M,0.0,0.0,0.99341,0.0,0.00638,0.0 +54 H,0.0,0.0,0.99423,0.0,0.00556,0.0 +55 F,0.0,0.0,0.99756,0.0,0.00223,0.0 +56 S,0.0,0.0,0.99919,0.0,0.00061,0.0 +57 L,0.0,0.0,0.99975,0.0,6e-05,0.0 +58 M,0.0,0.0,0.9998,0.0,1e-05,0.0 +59 H,0.0,0.0,0.99983,0.0,1e-05,0.0 +60 I,0.0,0.0,0.99982,0.0,0.0,0.0 +61 L,0.0,0.0,0.99983,0.0,0.0,0.0 +62 F,0.0,0.0,0.99984,0.0,0.0,0.0 +63 N,0.0,0.0,0.99985,0.0,0.0,0.0 +64 L,0.0,0.0,0.99985,0.0,0.0,0.0 +65 L,0.0,0.0,0.99985,0.0,0.0,0.0 +66 W,0.0,0.0,0.99985,0.0,0.0,0.0 +67 W,0.0,0.0,0.99984,0.0,0.0,0.0 +68 W,0.0,0.0,0.99986,0.0,0.0,0.0 +69 Y,0.0,0.0,0.99975,0.00012,0.0,0.0 +70 L,0.0,0.0,0.99906,0.00081,0.0,0.0 +71 G,0.0,0.0,0.96325,0.03665,0.0,0.0 +72 G,0.0,0.0,0.3354,0.66448,0.0,0.0 +73 A,0.0,0.0,0.1112,0.88869,0.0,0.0 +74 V,0.0,0.0,0.06311,0.93678,0.0,0.0 +75 E,0.0,0.0,0.00376,0.99613,0.0,0.0 +76 K,0.0,0.0,0.00011,0.99979,0.0,0.0 +77 R,0.0,0.0,0.00184,0.99805,0.0,0.0 +78 L,0.0,0.0,0.38413,0.61574,0.0,0.0 +79 G,0.0,0.0,0.47768,0.52219,0.0,0.0 +80 S,0.0,0.0,0.85069,0.14919,0.0,0.0 +81 G,0.0,0.0,0.965,0.03489,0.0,0.0 +82 K,0.0,0.0,0.98313,0.01673,0.0,0.0 +83 L,0.0,0.0,0.9996,0.00027,0.0,0.0 +84 I,0.0,0.0,0.99987,0.0,0.0,0.0 +85 V,0.0,0.0,0.99988,0.0,0.0,0.0 +86 I,0.0,0.0,0.99988,0.0,0.0,0.0 +87 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L,0.0,0.0,0.9999,0.0,0.0,0.0 +168 A,0.0,0.0,0.99989,0.0,0.0,0.0 +169 V,0.0,0.0,0.99987,4e-05,0.0,0.0 +170 G,0.0,0.0,0.9997,0.0002,0.0,0.0 +171 L,0.0,0.0,0.99991,0.0,0.0,0.0 +172 A,0.0,0.0,0.99991,0.0,0.0,0.0 +173 M,0.0,0.0,0.99992,0.0,0.0,0.0 +174 A,0.0,0.0,0.99992,0.0,0.0,0.0 +175 F,0.0,0.0,0.99984,9e-05,0.0,0.0 +176 V,0.0,0.0,0.99651,0.00345,0.0,0.0 +177 D,0.0,0.0,0.82865,0.1713,0.0,0.0 +178 S,0.0,0.0,0.68727,0.31267,0.0,0.0 +179 L,0.0,0.0,0.48774,0.5122,1e-05,0.0 +180 N,0.0,0.0,0.17987,0.82007,4e-05,0.0 +181 A,0.0,0.0,0.0,0.99973,0.00028,0.0 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/predicted_topologies.3line b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/predicted_topologies.3line new file mode 100644 index 0000000..98389e8 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/predicted_topologies.3line @@ -0,0 +1,3 @@ +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/query.fasta b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/query.fasta new file mode 100644 index 0000000..07711f2 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/A/query.fasta @@ -0,0 +1,2 @@ +> input +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A.span new file mode 100644 index 0000000..e93c5af --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A.span @@ -0,0 +1,10 @@ +manual-generated spanfile from DeepTMHMM +6 182 +antiparallel +n2c + 6 24 + 52 72 + 79 99 + 102 122 + 133 155 + 160 180 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/6xro_final_renum.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/6xro_final_renum.pdb new file mode 100644 index 0000000..b6c193a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/6xro_final_renum.pdb @@ -0,0 +1,1492 @@ +ATOM 1 N GLU A 1 -11.028 5.746 -37.310 1.00 43.35 N +ATOM 2 CA GLU A 1 -11.660 5.231 -36.061 1.00 55.59 C +ATOM 3 CB GLU A 1 -13.172 5.420 -36.133 1.00 53.53 C +ATOM 4 CG GLU A 1 -13.853 5.660 -34.801 1.00 34.05 C +ATOM 5 CD GLU A 1 -15.306 5.943 -35.034 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -16.062 4.963 -35.143 1.00 53.50 O +ATOM 7 OE2 GLU A 1 -15.691 7.128 -35.157 1.00 36.54 O +ATOM 8 C GLU A 1 -11.305 3.763 -35.795 1.00 46.53 C +ATOM 9 O GLU A 1 -10.191 3.336 -36.122 1.00 50.24 O +ATOM 10 N ARG A 2 -12.259 3.014 -35.221 1.00 38.93 N +ATOM 11 CA ARG A 2 -12.030 1.706 -34.590 1.00 54.74 C +ATOM 12 CB ARG A 2 -10.826 1.774 -33.603 1.00 50.45 C +ATOM 13 CG ARG A 2 -10.786 0.769 -32.445 1.00 57.12 C +ATOM 14 CD ARG A 2 -9.796 -0.375 -32.638 1.00 57.44 C +ATOM 15 NE ARG A 2 -10.273 -1.652 -32.072 1.00 52.68 N +ATOM 16 CZ ARG A 2 -9.692 -2.835 -32.301 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -8.591 -2.930 -33.062 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -10.191 -3.936 -31.764 1.00 28.66 N +ATOM 19 C ARG A 2 -13.339 1.255 -33.902 1.00 66.99 C +ATOM 20 O ARG A 2 -13.984 0.312 -34.361 1.00 85.13 O +ATOM 21 N ALA A 3 -13.720 1.949 -32.818 1.00 43.05 N +ATOM 22 CA ALA A 3 -14.920 1.643 -32.019 1.00 41.35 C +ATOM 23 CB ALA A 3 -14.865 2.391 -30.663 1.00 34.83 C +ATOM 24 C ALA A 3 -16.260 1.980 -32.735 1.00 29.58 C +ATOM 25 O ALA A 3 -16.581 3.165 -32.922 1.00 21.07 O +ATOM 26 N GLY A 4 -17.031 0.942 -33.099 1.00 20.97 N +ATOM 27 CA GLY A 4 -18.424 1.093 -33.472 1.00 16.58 C +ATOM 28 C GLY A 4 -19.279 1.634 -32.320 1.00 18.06 C +ATOM 29 O GLY A 4 -18.819 1.789 -31.180 1.00 16.28 O +ATOM 30 N PRO A 5 -20.584 1.890 -32.564 1.00 12.89 N +ATOM 31 CA PRO A 5 -21.440 2.520 -31.556 1.00 10.80 C +ATOM 32 CB PRO A 5 -22.793 2.697 -32.298 1.00 10.45 C +ATOM 33 CG PRO A 5 -22.723 1.727 -33.430 1.00 9.74 C +ATOM 34 CD PRO A 5 -21.288 1.576 -33.817 1.00 10.46 C +ATOM 35 C PRO A 5 -21.631 1.713 -30.297 1.00 11.27 C +ATOM 36 O PRO A 5 -21.805 2.300 -29.242 1.00 13.59 O +ATOM 37 N VAL A 6 -21.670 0.382 -30.393 1.00 9.93 N +ATOM 38 CA VAL A 6 -21.903 -0.402 -29.192 1.00 12.26 C +ATOM 39 CB VAL A 6 -22.267 -1.859 -29.504 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -22.352 -2.680 -28.221 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -23.582 -1.919 -30.282 1.00 17.43 C +ATOM 42 C VAL A 6 -20.649 -0.346 -28.331 1.00 10.99 C +ATOM 43 O VAL A 6 -20.721 -0.092 -27.128 1.00 8.01 O +ATOM 44 N THR A 7 -19.486 -0.556 -28.961 1.00 10.58 N +ATOM 45 CA THR A 7 -18.211 -0.402 -28.243 1.00 12.65 C +ATOM 46 CB THR A 7 -17.023 -0.546 -29.178 1.00 11.06 C +ATOM 47 OG1 THR A 7 -17.079 -1.854 -29.799 1.00 10.95 O +ATOM 48 CG2 THR A 7 -15.753 -0.391 -28.343 1.00 11.91 C +ATOM 49 C THR A 7 -18.123 0.932 -27.492 1.00 13.19 C +ATOM 50 O THR A 7 -17.774 0.984 -26.324 1.00 10.71 O +ATOM 51 N TRP A 8 -18.537 1.997 -28.185 1.00 13.70 N +ATOM 52 CA TRP A 8 -18.462 3.365 -27.698 1.00 14.00 C +ATOM 53 CB TRP A 8 -18.728 4.260 -28.886 1.00 11.57 C +ATOM 54 CG TRP A 8 -18.831 5.682 -28.664 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -19.861 6.478 -29.057 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -19.600 7.775 -28.773 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -18.374 7.857 -28.171 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -17.856 6.547 -28.098 1.00 20.29 C +ATOM 59 CE3 TRP A 8 -16.598 6.351 -27.535 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 -15.912 7.458 -27.032 1.00 29.87 C +ATOM 61 CH2 TRP A 8 -16.450 8.761 -27.127 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -17.674 8.981 -27.690 1.00 23.41 C +ATOM 63 C TRP A 8 -19.452 3.650 -26.576 1.00 11.19 C +ATOM 64 O TRP A 8 -19.106 4.243 -25.566 1.00 9.21 O +ATOM 65 N VAL A 9 -20.707 3.268 -26.783 1.00 10.48 N +ATOM 66 CA VAL A 9 -21.727 3.611 -25.837 1.00 13.92 C +ATOM 67 CB VAL A 9 -23.153 3.397 -26.386 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -24.179 3.428 -25.261 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -23.471 4.477 -27.383 1.00 20.11 C +ATOM 70 C VAL A 9 -21.470 2.915 -24.494 1.00 10.13 C +ATOM 71 O VAL A 9 -21.661 3.499 -23.473 1.00 7.20 O +ATOM 72 N MET A 10 -20.985 1.675 -24.521 1.00 10.15 N +ATOM 73 CA MET A 10 -20.664 0.997 -23.282 1.00 11.00 C +ATOM 74 CB MET A 10 -20.223 -0.414 -23.620 1.00 14.36 C +ATOM 75 CG MET A 10 -19.564 -1.170 -22.469 1.00 16.11 C +ATOM 76 SD MET A 10 -20.725 -1.497 -21.127 1.00 21.05 S +ATOM 77 CE MET A 10 -21.787 -2.724 -21.857 1.00 21.21 C +ATOM 78 C MET A 10 -19.540 1.742 -22.498 1.00 13.64 C +ATOM 79 O MET A 10 -19.565 1.770 -21.251 1.00 12.82 O +ATOM 80 N MET A 11 -18.522 2.247 -23.230 1.00 12.90 N +ATOM 81 CA MET A 11 -17.381 3.008 -22.650 1.00 14.44 C +ATOM 82 CB MET A 11 -16.332 3.335 -23.723 1.00 12.49 C +ATOM 83 CG MET A 11 -15.542 2.102 -24.136 1.00 14.38 C +ATOM 84 SD MET A 11 -14.409 2.240 -25.555 1.00 14.01 S +ATOM 85 CE MET A 11 -12.914 2.769 -24.707 1.00 15.48 C +ATOM 86 C MET A 11 -17.889 4.290 -21.992 1.00 13.69 C +ATOM 87 O MET A 11 -17.627 4.550 -20.827 1.00 13.74 O +ATOM 88 N ILE A 12 -18.663 5.057 -22.754 1.00 12.10 N +ATOM 89 CA ILE A 12 -19.306 6.246 -22.251 1.00 17.28 C +ATOM 90 CB ILE A 12 -20.241 6.822 -23.333 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -19.417 7.511 -24.389 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -20.238 7.899 -25.620 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -21.257 7.787 -22.733 1.00 23.33 C +ATOM 94 C ILE A 12 -20.109 5.934 -20.974 1.00 13.47 C +ATOM 95 O ILE A 12 -19.965 6.585 -19.940 1.00 14.37 O +ATOM 96 N ALA A 13 -20.958 4.911 -21.062 1.00 14.13 N +ATOM 97 CA ALA A 13 -21.818 4.508 -19.973 1.00 11.62 C +ATOM 98 CB ALA A 13 -22.698 3.371 -20.385 1.00 10.69 C +ATOM 99 C ALA A 13 -21.034 4.140 -18.716 1.00 13.08 C +ATOM 100 O ALA A 13 -21.401 4.557 -17.642 1.00 14.09 O +ATOM 101 N CYS A 14 -19.943 3.376 -18.869 1.00 12.24 N +ATOM 102 CA CYS A 14 -19.097 3.010 -17.727 1.00 14.03 C +ATOM 103 CB CYS A 14 -18.038 1.968 -18.160 1.00 12.92 C +ATOM 104 SG CYS A 14 -18.730 0.330 -18.396 1.00 12.25 S +ATOM 105 C CYS A 14 -18.395 4.238 -17.073 1.00 12.57 C +ATOM 106 O CYS A 14 -18.242 4.318 -15.843 1.00 9.48 O +ATOM 107 N VAL A 15 -17.987 5.190 -17.915 1.00 9.94 N +ATOM 108 CA VAL A 15 -17.331 6.370 -17.427 1.00 11.41 C +ATOM 109 CB VAL A 15 -16.645 7.124 -18.546 1.00 11.06 C +ATOM 110 CG1 VAL A 15 -16.127 8.433 -17.995 1.00 10.96 C +ATOM 111 CG2 VAL A 15 -15.492 6.259 -19.116 1.00 10.71 C +ATOM 112 C VAL A 15 -18.313 7.252 -16.655 1.00 13.34 C +ATOM 113 O VAL A 15 -18.021 7.700 -15.533 1.00 9.03 O +ATOM 114 N VAL A 16 -19.489 7.467 -17.243 1.00 13.58 N +ATOM 115 CA VAL A 16 -20.539 8.254 -16.575 1.00 18.01 C +ATOM 116 CB VAL A 16 -21.782 8.415 -17.479 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -22.943 8.990 -16.709 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -21.474 9.349 -18.628 1.00 15.20 C +ATOM 119 C VAL A 16 -20.907 7.633 -15.207 1.00 12.72 C +ATOM 120 O VAL A 16 -21.034 8.339 -14.222 1.00 10.60 O +ATOM 121 N VAL A 17 -21.093 6.309 -15.174 1.00 11.76 N +ATOM 122 CA VAL A 17 -21.417 5.647 -13.943 1.00 11.25 C +ATOM 123 CB VAL A 17 -21.792 4.185 -14.137 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -21.991 3.501 -12.758 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -23.072 4.076 -14.958 1.00 13.31 C +ATOM 126 C VAL A 17 -20.270 5.796 -12.905 1.00 10.41 C +ATOM 127 O VAL A 17 -20.516 6.054 -11.747 1.00 7.15 O +ATOM 128 N PHE A 18 -19.023 5.680 -13.368 1.00 9.81 N +ATOM 129 CA PHE A 18 -17.865 5.812 -12.502 1.00 8.70 C +ATOM 130 CB PHE A 18 -16.596 5.523 -13.320 1.00 9.07 C +ATOM 131 CG PHE A 18 -15.357 5.360 -12.473 1.00 9.17 C +ATOM 132 CD1 PHE A 18 -15.208 4.245 -11.642 1.00 9.97 C +ATOM 133 CE1 PHE A 18 -14.067 4.083 -10.869 1.00 11.77 C +ATOM 134 CZ PHE A 18 -13.077 5.039 -10.897 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -13.223 6.141 -11.730 1.00 12.88 C +ATOM 136 CD2 PHE A 18 -14.374 6.284 -12.509 1.00 9.87 C +ATOM 137 C PHE A 18 -17.806 7.196 -11.854 1.00 8.93 C +ATOM 138 O PHE A 18 -17.469 7.344 -10.677 1.00 9.10 O +ATOM 139 N ILE A 19 -18.101 8.232 -12.649 1.00 8.90 N +ATOM 140 CA ILE A 19 -18.159 9.587 -12.175 1.00 8.28 C +ATOM 141 CB ILE A 19 -18.435 10.553 -13.328 1.00 9.07 C +ATOM 142 CG1 ILE A 19 -17.195 10.650 -14.216 1.00 8.90 C +ATOM 143 CD1 ILE A 19 -17.381 11.547 -15.426 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -18.762 11.939 -12.794 1.00 9.09 C +ATOM 145 C ILE A 19 -19.238 9.749 -11.090 1.00 8.37 C +ATOM 146 O ILE A 19 -18.994 10.331 -10.007 1.00 7.02 O +ATOM 147 N ALA A 20 -20.427 9.220 -11.378 1.00 8.61 N +ATOM 148 CA ALA A 20 -21.519 9.247 -10.437 1.00 8.46 C +ATOM 149 CB ALA A 20 -22.711 8.516 -11.008 1.00 6.88 C +ATOM 150 C ALA A 20 -21.076 8.579 -9.111 1.00 9.83 C +ATOM 151 O ALA A 20 -21.442 9.044 -8.011 1.00 10.17 O +ATOM 152 N MET A 21 -20.339 7.460 -9.226 1.00 8.36 N +ATOM 153 CA MET A 21 -19.876 6.735 -8.085 1.00 7.84 C +ATOM 154 CB MET A 21 -19.253 5.396 -8.512 1.00 10.18 C +ATOM 155 CG MET A 21 -20.228 4.416 -9.109 1.00 9.75 C +ATOM 156 SD MET A 21 -19.506 2.866 -9.692 1.00 11.62 S +ATOM 157 CE MET A 21 -19.216 2.099 -8.089 1.00 11.65 C +ATOM 158 C MET A 21 -18.891 7.594 -7.289 1.00 8.45 C +ATOM 159 O MET A 21 -18.877 7.545 -6.054 1.00 9.99 O +ATOM 160 N GLN A 22 -18.068 8.406 -7.967 1.00 8.76 N +ATOM 161 CA GLN A 22 -17.092 9.267 -7.216 1.00 8.75 C +ATOM 162 CB GLN A 22 -15.963 9.856 -8.094 1.00 8.72 C +ATOM 163 CG GLN A 22 -15.186 8.869 -8.976 1.00 13.04 C +ATOM 164 CD GLN A 22 -14.890 7.522 -8.300 1.00 12.79 C +ATOM 165 OE1 GLN A 22 -14.155 7.480 -7.319 1.00 11.44 O +ATOM 166 NE2 GLN A 22 -15.478 6.427 -8.817 1.00 13.13 N +ATOM 167 C GLN A 22 -17.777 10.424 -6.464 1.00 8.93 C +ATOM 168 O GLN A 22 -17.309 10.854 -5.442 1.00 9.72 O +ATOM 169 N ILE A 23 -18.868 10.949 -7.016 1.00 8.82 N +ATOM 170 CA ILE A 23 -19.588 12.065 -6.435 1.00 8.84 C +ATOM 171 CB ILE A 23 -20.514 12.713 -7.501 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -19.681 13.332 -8.648 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -20.513 13.636 -9.886 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -21.428 13.761 -6.878 1.00 8.45 C +ATOM 175 C ILE A 23 -20.459 11.573 -5.287 1.00 8.69 C +ATOM 176 O ILE A 23 -20.423 12.087 -4.190 1.00 8.45 O +ATOM 177 N LEU A 24 -21.273 10.558 -5.576 1.00 9.04 N +ATOM 178 CA LEU A 24 -22.298 10.047 -4.672 1.00 9.19 C +ATOM 179 CB LEU A 24 -23.412 9.485 -5.527 1.00 9.90 C +ATOM 180 CG LEU A 24 -24.189 10.446 -6.432 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -25.287 9.691 -7.192 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -24.768 11.600 -5.601 1.00 13.72 C +ATOM 183 C LEU A 24 -21.794 8.934 -3.706 1.00 10.54 C +ATOM 184 O LEU A 24 -22.457 8.625 -2.690 1.00 10.70 O +ATOM 185 N GLY A 25 -20.642 8.324 -4.047 1.00 9.22 N +ATOM 186 CA GLY A 25 -20.122 7.175 -3.339 1.00 8.44 C +ATOM 187 C GLY A 25 -20.647 5.920 -4.015 1.00 7.11 C +ATOM 188 O GLY A 25 -21.712 5.896 -4.632 1.00 8.08 O +ATOM 189 N ASP A 26 -19.851 4.861 -3.954 1.00 7.41 N +ATOM 190 CA ASP A 26 -20.210 3.567 -4.547 1.00 8.57 C +ATOM 191 CB ASP A 26 -19.143 2.543 -4.199 1.00 8.77 C +ATOM 192 CG ASP A 26 -17.789 2.832 -4.875 1.00 11.15 C +ATOM 193 OD1 ASP A 26 -17.660 3.828 -5.668 1.00 9.80 O +ATOM 194 OD2 ASP A 26 -16.844 2.069 -4.550 1.00 13.47 O +ATOM 195 C ASP A 26 -21.564 2.994 -4.109 1.00 8.19 C +ATOM 196 O ASP A 26 -22.330 2.485 -4.923 1.00 7.73 O +ATOM 197 N AGLN A 27 -21.860 3.088 -2.810 0.57 9.65 N +ATOM 198 N BGLN A 27 -21.849 3.035 -2.803 0.43 7.76 N +ATOM 199 CA AGLN A 27 -23.002 2.356 -2.268 0.57 10.93 C +ATOM 200 CA BGLN A 27 -23.046 2.358 -2.324 0.43 7.64 C +ATOM 201 CB AGLN A 27 -22.862 1.994 -0.758 0.57 12.23 C +ATOM 202 CB BGLN A 27 -23.176 2.297 -0.811 0.43 6.67 C +ATOM 203 CG AGLN A 27 -22.007 2.844 0.196 0.57 14.65 C +ATOM 204 CG BGLN A 27 -24.458 1.554 -0.507 0.43 6.35 C +ATOM 205 CD AGLN A 27 -20.578 3.163 -0.253 0.57 13.37 C +ATOM 206 CD BGLN A 27 -24.382 0.598 0.656 0.43 5.63 C +ATOM 207 OE1AGLN A 27 -20.253 4.311 -0.459 0.57 10.98 O +ATOM 208 OE1BGLN A 27 -23.513 0.707 1.515 0.43 5.20 O +ATOM 209 NE2AGLN A 27 -19.731 2.148 -0.390 0.57 18.13 N +ATOM 210 NE2BGLN A 27 -25.340 -0.314 0.714 0.43 5.25 N +ATOM 211 C AGLN A 27 -24.357 3.011 -2.667 0.57 10.39 C +ATOM 212 C BGLN A 27 -24.300 3.002 -2.899 0.43 8.17 C +ATOM 213 O AGLN A 27 -25.355 2.320 -2.836 0.57 8.26 O +ATOM 214 O BGLN A 27 -25.186 2.308 -3.391 0.43 6.83 O +ATOM 215 N GLU A 28 -24.363 4.337 -2.854 1.00 9.56 N +ATOM 216 CA GLU A 28 -25.536 5.051 -3.402 1.00 8.86 C +ATOM 217 CB GLU A 28 -25.319 6.553 -3.370 1.00 10.52 C +ATOM 218 CG GLU A 28 -26.465 7.373 -3.933 1.00 12.28 C +ATOM 219 CD GLU A 28 -27.768 7.144 -3.214 1.00 13.68 C +ATOM 220 OE1 GLU A 28 -27.776 6.862 -2.004 1.00 16.22 O +ATOM 221 OE2 GLU A 28 -28.797 7.252 -3.867 1.00 18.20 O +ATOM 222 C GLU A 28 -25.809 4.624 -4.832 1.00 7.50 C +ATOM 223 O GLU A 28 -26.946 4.480 -5.205 1.00 6.97 O +ATOM 224 N VAL A 29 -24.760 4.395 -5.624 1.00 7.10 N +ATOM 225 CA VAL A 29 -24.926 3.933 -6.988 1.00 7.74 C +ATOM 226 CB VAL A 29 -23.744 4.252 -7.934 1.00 7.94 C +ATOM 227 CG1 VAL A 29 -24.038 3.769 -9.369 1.00 8.07 C +ATOM 228 CG2 VAL A 29 -23.492 5.764 -7.993 1.00 8.53 C +ATOM 229 C VAL A 29 -25.325 2.450 -7.044 1.00 9.26 C +ATOM 230 O VAL A 29 -26.220 2.088 -7.812 1.00 11.33 O +ATOM 231 N MET A 30 -24.680 1.592 -6.254 1.00 10.79 N +ATOM 232 CA MET A 30 -25.169 0.203 -6.050 1.00 11.74 C +ATOM 233 CB MET A 30 -24.438 -0.479 -4.894 1.00 14.27 C +ATOM 234 CG MET A 30 -22.888 -0.677 -5.047 1.00 15.81 C +ATOM 235 SD MET A 30 -22.547 -2.371 -5.486 1.00 33.08 S +ATOM 236 CE MET A 30 -22.934 -2.160 -7.175 1.00 20.74 C +ATOM 237 C MET A 30 -26.697 0.167 -5.770 1.00 14.59 C +ATOM 238 O MET A 30 -27.444 -0.660 -6.368 1.00 12.77 O +ATOM 239 N LEU A 31 -27.184 1.070 -4.905 1.00 14.76 N +ATOM 240 CA LEU A 31 -28.628 1.126 -4.598 1.00 15.82 C +ATOM 241 CB LEU A 31 -29.024 2.350 -3.820 1.00 17.44 C +ATOM 242 CG LEU A 31 -28.803 2.421 -2.335 1.00 16.70 C +ATOM 243 CD1 LEU A 31 -29.737 3.519 -1.858 1.00 17.12 C +ATOM 244 CD2 LEU A 31 -29.092 1.116 -1.618 1.00 21.43 C +ATOM 245 C LEU A 31 -29.503 1.152 -5.829 1.00 14.45 C +ATOM 246 O LEU A 31 -30.577 0.548 -5.855 1.00 13.84 O +ATOM 247 N TRP A 32 -29.057 1.872 -6.850 1.00 12.40 N +ATOM 248 CA TRP A 32 -29.824 2.011 -8.082 1.00 14.56 C +ATOM 249 CB TRP A 32 -29.601 3.405 -8.719 1.00 18.78 C +ATOM 250 CG TRP A 32 -30.488 4.439 -8.053 1.00 32.68 C +ATOM 251 CD1 TRP A 32 -30.365 4.916 -6.776 1.00 39.08 C +ATOM 252 NE1 TRP A 32 -31.374 5.801 -6.500 1.00 42.94 N +ATOM 253 CE2 TRP A 32 -32.185 5.912 -7.598 1.00 50.90 C +ATOM 254 CD2 TRP A 32 -31.666 5.052 -8.596 1.00 45.18 C +ATOM 255 CE3 TRP A 32 -32.321 4.981 -9.838 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 -33.462 5.771 -10.041 1.00 57.42 C +ATOM 257 CH2 TRP A 32 -33.951 6.621 -9.023 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 -33.333 6.703 -7.803 1.00 59.24 C +ATOM 259 C TRP A 32 -29.563 0.914 -9.078 1.00 14.53 C +ATOM 260 O TRP A 32 -30.485 0.473 -9.750 1.00 15.15 O +ATOM 261 N LEU A 33 -28.296 0.494 -9.201 1.00 14.48 N +ATOM 262 CA LEU A 33 -27.879 -0.338 -10.340 1.00 13.03 C +ATOM 263 CB LEU A 33 -26.730 0.318 -11.054 1.00 11.82 C +ATOM 264 CG LEU A 33 -26.990 1.694 -11.666 1.00 15.06 C +ATOM 265 CD1 LEU A 33 -25.711 2.167 -12.338 1.00 16.02 C +ATOM 266 CD2 LEU A 33 -28.114 1.655 -12.676 1.00 17.26 C +ATOM 267 C LEU A 33 -27.483 -1.763 -10.008 1.00 12.50 C +ATOM 268 O LEU A 33 -27.185 -2.522 -10.903 1.00 14.24 O +ATOM 269 N ALA A 34 -27.378 -2.102 -8.722 1.00 11.25 N +ATOM 270 CA ALA A 34 -26.895 -3.423 -8.345 1.00 14.07 C +ATOM 271 CB ALA A 34 -26.512 -3.490 -6.881 1.00 12.90 C +ATOM 272 C ALA A 34 -27.969 -4.469 -8.661 1.00 10.89 C +ATOM 273 O ALA A 34 -29.153 -4.155 -8.719 1.00 9.58 O +ATOM 274 N TRP A 35 -27.523 -5.695 -8.889 1.00 9.03 N +ATOM 275 CA TRP A 35 -28.402 -6.866 -8.849 1.00 10.73 C +ATOM 276 CB TRP A 35 -27.527 -8.121 -8.712 1.00 8.48 C +ATOM 277 CG TRP A 35 -28.290 -9.422 -8.958 1.00 8.22 C +ATOM 278 CD1 TRP A 35 -29.048 -10.093 -8.055 1.00 7.83 C +ATOM 279 NE1 TRP A 35 -29.526 -11.215 -8.605 1.00 7.62 N +ATOM 280 CE2 TRP A 35 -29.134 -11.278 -9.916 1.00 7.64 C +ATOM 281 CD2 TRP A 35 -28.329 -10.178 -10.158 1.00 7.37 C +ATOM 282 CE3 TRP A 35 -27.770 -10.012 -11.440 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 -28.038 -10.986 -12.428 1.00 7.84 C +ATOM 284 CH2 TRP A 35 -28.820 -12.094 -12.131 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 -29.398 -12.254 -10.896 1.00 7.63 C +ATOM 286 C TRP A 35 -29.370 -6.786 -7.670 1.00 11.27 C +ATOM 287 O TRP A 35 -28.975 -6.401 -6.579 1.00 9.35 O +ATOM 288 N PRO A 36 -30.660 -7.172 -7.813 1.00 12.00 N +ATOM 289 CA PRO A 36 -31.622 -6.974 -6.730 1.00 11.46 C +ATOM 290 CB PRO A 36 -32.859 -7.678 -7.226 1.00 11.66 C +ATOM 291 CG PRO A 36 -32.707 -7.696 -8.706 1.00 13.54 C +ATOM 292 CD PRO A 36 -31.262 -7.773 -9.010 1.00 13.31 C +ATOM 293 C PRO A 36 -31.130 -7.578 -5.443 1.00 11.59 C +ATOM 294 O PRO A 36 -30.826 -8.759 -5.385 1.00 10.46 O +ATOM 295 N PHE A 37 -31.050 -6.751 -4.404 1.00 13.56 N +ATOM 296 CA PHE A 37 -30.533 -7.193 -3.115 1.00 14.55 C +ATOM 297 CB PHE A 37 -29.421 -6.249 -2.610 1.00 13.96 C +ATOM 298 CG PHE A 37 -29.737 -4.803 -2.785 1.00 11.55 C +ATOM 299 CD2 PHE A 37 -29.331 -4.127 -3.908 1.00 12.09 C +ATOM 300 CE2 PHE A 37 -29.672 -2.788 -4.098 1.00 11.27 C +ATOM 301 CZ PHE A 37 -30.374 -2.126 -3.132 1.00 11.14 C +ATOM 302 CE1 PHE A 37 -30.777 -2.798 -1.991 1.00 11.63 C +ATOM 303 CD1 PHE A 37 -30.473 -4.128 -1.833 1.00 12.46 C +ATOM 304 C PHE A 37 -31.668 -7.288 -2.133 1.00 13.37 C +ATOM 305 O PHE A 37 -31.471 -7.613 -0.993 1.00 14.81 O +ATOM 306 N ASP A 38 -32.881 -7.041 -2.611 1.00 17.05 N +ATOM 307 CA ASP A 38 -34.105 -7.173 -1.823 1.00 19.15 C +ATOM 308 CB ASP A 38 -34.521 -5.798 -1.325 1.00 20.34 C +ATOM 309 CG ASP A 38 -35.502 -5.877 -0.192 1.00 30.28 C +ATOM 310 OD1 ASP A 38 -35.165 -6.540 0.805 1.00 44.07 O +ATOM 311 OD2 ASP A 38 -36.610 -5.312 -0.298 1.00 34.29 O +ATOM 312 C ASP A 38 -35.190 -7.717 -2.747 1.00 15.90 C +ATOM 313 O ASP A 38 -35.229 -7.330 -3.916 1.00 16.79 O +ATOM 314 N PRO A 39 -36.134 -8.566 -2.261 1.00 20.32 N +ATOM 315 CA PRO A 39 -37.220 -9.073 -3.115 1.00 16.16 C +ATOM 316 CB PRO A 39 -38.126 -9.843 -2.149 1.00 15.98 C +ATOM 317 CG PRO A 39 -37.316 -10.062 -0.921 1.00 18.68 C +ATOM 318 CD PRO A 39 -36.207 -9.068 -0.873 1.00 17.52 C +ATOM 319 C PRO A 39 -38.044 -7.988 -3.774 1.00 16.16 C +ATOM 320 O PRO A 39 -38.499 -8.160 -4.903 1.00 21.77 O +ATOM 321 N THR A 40 -38.227 -6.862 -3.084 1.00 11.59 N +ATOM 322 CA THR A 40 -38.961 -5.770 -3.649 1.00 10.55 C +ATOM 323 CB THR A 40 -39.182 -4.681 -2.612 1.00 11.60 C +ATOM 324 OG1 THR A 40 -37.916 -4.212 -2.177 1.00 18.55 O +ATOM 325 CG2 THR A 40 -39.913 -5.200 -1.396 1.00 10.47 C +ATOM 326 C THR A 40 -38.307 -5.161 -4.913 1.00 12.17 C +ATOM 327 O THR A 40 -38.940 -4.355 -5.589 1.00 13.12 O +ATOM 328 N LEU A 41 -37.050 -5.525 -5.218 1.00 10.51 N +ATOM 329 CA LEU A 41 -36.331 -4.967 -6.367 1.00 11.95 C +ATOM 330 CB LEU A 41 -34.887 -4.568 -5.984 1.00 14.91 C +ATOM 331 CG LEU A 41 -34.749 -3.686 -4.690 1.00 17.34 C +ATOM 332 CD1 LEU A 41 -33.319 -3.312 -4.341 1.00 16.53 C +ATOM 333 CD2 LEU A 41 -35.579 -2.415 -4.783 1.00 15.46 C +ATOM 334 C LEU A 41 -36.330 -5.924 -7.558 1.00 12.84 C +ATOM 335 O LEU A 41 -35.772 -5.620 -8.617 1.00 11.38 O +ATOM 336 N LYS A 42 -36.970 -7.086 -7.372 1.00 12.67 N +ATOM 337 CA LYS A 42 -36.919 -8.166 -8.323 1.00 13.81 C +ATOM 338 CB LYS A 42 -37.632 -9.391 -7.748 1.00 16.24 C +ATOM 339 CG LYS A 42 -39.153 -9.260 -7.618 1.00 22.83 C +ATOM 340 CD LYS A 42 -39.754 -10.297 -6.648 1.00 21.04 C +ATOM 341 CE LYS A 42 -41.016 -9.785 -5.959 1.00 23.94 C +ATOM 342 NZ LYS A 42 -41.210 -10.441 -4.621 1.00 32.66 N +ATOM 343 C LYS A 42 -37.494 -7.740 -9.676 1.00 15.51 C +ATOM 344 O LYS A 42 -37.037 -8.228 -10.720 1.00 11.66 O +ATOM 345 N PHE A 43 -38.450 -6.795 -9.666 1.00 17.22 N +ATOM 346 CA PHE A 43 -39.059 -6.320 -10.917 1.00 20.93 C +ATOM 347 CB PHE A 43 -40.504 -5.935 -10.651 1.00 22.33 C +ATOM 348 CG PHE A 43 -41.324 -7.042 -10.025 1.00 20.58 C +ATOM 349 CD1 PHE A 43 -41.631 -8.188 -10.751 1.00 20.68 C +ATOM 350 CE1 PHE A 43 -42.398 -9.206 -10.203 1.00 24.15 C +ATOM 351 CZ PHE A 43 -42.872 -9.088 -8.902 1.00 26.39 C +ATOM 352 CE2 PHE A 43 -42.584 -7.939 -8.163 1.00 32.87 C +ATOM 353 CD2 PHE A 43 -41.801 -6.928 -8.723 1.00 28.63 C +ATOM 354 C PHE A 43 -38.305 -5.215 -11.694 1.00 27.18 C +ATOM 355 O PHE A 43 -38.629 -4.937 -12.862 1.00 25.90 O +ATOM 356 N GLU A 44 -37.260 -4.656 -11.067 1.00 22.49 N +ATOM 357 CA GLU A 44 -36.445 -3.586 -11.638 1.00 15.89 C +ATOM 358 CB GLU A 44 -35.821 -2.774 -10.503 1.00 15.72 C +ATOM 359 CG GLU A 44 -36.891 -2.035 -9.714 1.00 15.25 C +ATOM 360 CD GLU A 44 -36.398 -1.189 -8.536 1.00 21.01 C +ATOM 361 OE1 GLU A 44 -35.187 -1.043 -8.266 1.00 16.50 O +ATOM 362 OE2 GLU A 44 -37.266 -0.655 -7.815 1.00 23.93 O +ATOM 363 C GLU A 44 -35.432 -4.222 -12.598 1.00 16.81 C +ATOM 364 O GLU A 44 -34.252 -4.460 -12.245 1.00 11.81 O +ATOM 365 N APHE A 45 -35.914 -4.427 -13.837 0.46 16.82 N +ATOM 366 N BPHE A 45 -35.875 -4.486 -13.826 0.54 13.38 N +ATOM 367 CA APHE A 45 -35.322 -5.282 -14.882 0.46 19.36 C +ATOM 368 CA BPHE A 45 -35.188 -5.415 -14.715 0.54 13.71 C +ATOM 369 CB APHE A 45 -36.190 -5.301 -16.195 0.46 23.18 C +ATOM 370 CB BPHE A 45 -36.085 -5.783 -15.908 0.54 12.75 C +ATOM 371 CG APHE A 45 -36.379 -3.936 -16.868 0.46 30.12 C +ATOM 372 CG BPHE A 45 -37.348 -6.483 -15.515 0.54 11.96 C +ATOM 373 CD1APHE A 45 -37.394 -3.069 -16.465 0.46 31.35 C +ATOM 374 CD1BPHE A 45 -38.586 -5.853 -15.663 0.54 13.23 C +ATOM 375 CE1APHE A 45 -37.566 -1.836 -17.080 0.46 34.10 C +ATOM 376 CE1BPHE A 45 -39.770 -6.520 -15.350 0.54 15.19 C +ATOM 377 CZ APHE A 45 -36.734 -1.455 -18.112 0.46 29.11 C +ATOM 378 CZ BPHE A 45 -39.715 -7.819 -14.845 0.54 14.16 C +ATOM 379 CE2APHE A 45 -35.727 -2.302 -18.531 0.46 29.48 C +ATOM 380 CE2BPHE A 45 -38.483 -8.445 -14.671 0.54 11.23 C +ATOM 381 CD2APHE A 45 -35.556 -3.536 -17.925 0.46 33.40 C +ATOM 382 CD2BPHE A 45 -37.307 -7.773 -15.006 0.54 11.18 C +ATOM 383 C APHE A 45 -33.876 -4.977 -15.213 0.46 15.69 C +ATOM 384 C BPHE A 45 -33.819 -4.995 -15.209 0.54 12.87 C +ATOM 385 O APHE A 45 -33.084 -5.884 -15.487 0.46 15.15 O +ATOM 386 O BPHE A 45 -33.015 -5.852 -15.614 0.54 12.81 O +ATOM 387 N TRP A 46 -33.549 -3.683 -15.204 1.00 15.30 N +ATOM 388 CA TRP A 46 -32.217 -3.190 -15.547 1.00 12.11 C +ATOM 389 CB TRP A 46 -32.194 -1.669 -15.502 1.00 11.86 C +ATOM 390 CG TRP A 46 -32.362 -1.069 -14.144 1.00 11.95 C +ATOM 391 CD1 TRP A 46 -31.374 -0.814 -13.255 1.00 14.46 C +ATOM 392 NE1 TRP A 46 -31.897 -0.254 -12.112 1.00 13.21 N +ATOM 393 CE2 TRP A 46 -33.243 -0.087 -12.279 1.00 12.73 C +ATOM 394 CD2 TRP A 46 -33.570 -0.579 -13.549 1.00 14.22 C +ATOM 395 CE3 TRP A 46 -34.912 -0.509 -13.973 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 -35.861 0.013 -13.098 1.00 16.83 C +ATOM 397 CH2 TRP A 46 -35.490 0.499 -11.837 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 -34.195 0.465 -11.412 1.00 16.01 C +ATOM 399 C TRP A 46 -31.124 -3.789 -14.638 1.00 11.22 C +ATOM 400 O TRP A 46 -30.033 -4.018 -15.084 1.00 12.05 O +ATOM 401 N ARG A 47 -31.440 -4.004 -13.354 1.00 12.46 N +ATOM 402 CA ARG A 47 -30.480 -4.528 -12.369 1.00 12.68 C +ATOM 403 CB ARG A 47 -31.182 -4.780 -11.048 1.00 11.77 C +ATOM 404 CG ARG A 47 -31.676 -3.490 -10.454 1.00 11.77 C +ATOM 405 CD ARG A 47 -32.360 -3.733 -9.154 1.00 12.31 C +ATOM 406 NE ARG A 47 -32.809 -2.504 -8.533 1.00 14.80 N +ATOM 407 CZ ARG A 47 -32.071 -1.714 -7.743 1.00 17.44 C +ATOM 408 NH1 ARG A 47 -30.820 -2.022 -7.416 1.00 16.23 N +ATOM 409 NH2 ARG A 47 -32.609 -0.626 -7.214 1.00 14.30 N +ATOM 410 C ARG A 47 -29.756 -5.817 -12.800 1.00 12.29 C +ATOM 411 O ARG A 47 -28.646 -6.089 -12.344 1.00 9.14 O +ATOM 412 N TYR A 48 -30.390 -6.616 -13.670 1.00 10.04 N +ATOM 413 CA TYR A 48 -29.836 -7.913 -14.030 1.00 10.43 C +ATOM 414 CB TYR A 48 -30.956 -8.855 -14.593 1.00 10.84 C +ATOM 415 CG TYR A 48 -32.047 -9.140 -13.575 1.00 7.71 C +ATOM 416 CD1 TYR A 48 -31.804 -9.980 -12.496 1.00 7.71 C +ATOM 417 CE1 TYR A 48 -32.766 -10.258 -11.552 1.00 6.25 C +ATOM 418 CZ TYR A 48 -34.005 -9.695 -11.669 1.00 6.42 C +ATOM 419 OH TYR A 48 -34.975 -9.997 -10.710 1.00 6.77 O +ATOM 420 CE2 TYR A 48 -34.293 -8.876 -12.734 1.00 6.94 C +ATOM 421 CD2 TYR A 48 -33.321 -8.598 -13.684 1.00 8.10 C +ATOM 422 C TYR A 48 -28.691 -7.717 -14.992 1.00 10.47 C +ATOM 423 O TYR A 48 -27.901 -8.640 -15.232 1.00 9.93 O +ATOM 424 N PHE A 49 -28.573 -6.483 -15.488 1.00 10.22 N +ATOM 425 CA PHE A 49 -27.524 -6.049 -16.423 1.00 13.54 C +ATOM 426 CB PHE A 49 -28.178 -5.616 -17.755 1.00 13.65 C +ATOM 427 CG PHE A 49 -29.111 -6.682 -18.312 1.00 10.24 C +ATOM 428 CD1 PHE A 49 -28.628 -7.683 -19.138 1.00 11.08 C +ATOM 429 CE1 PHE A 49 -29.450 -8.688 -19.610 1.00 9.94 C +ATOM 430 CZ PHE A 49 -30.776 -8.674 -19.244 1.00 10.35 C +ATOM 431 CE2 PHE A 49 -31.250 -7.696 -18.395 1.00 10.99 C +ATOM 432 CD2 PHE A 49 -30.414 -6.714 -17.941 1.00 9.51 C +ATOM 433 C PHE A 49 -26.597 -4.925 -15.908 1.00 11.86 C +ATOM 434 O PHE A 49 -25.395 -4.945 -16.157 1.00 11.51 O +ATOM 435 N THR A 50 -27.155 -3.971 -15.173 1.00 12.55 N +ATOM 436 CA THR A 50 -26.431 -2.760 -14.885 1.00 14.45 C +ATOM 437 CB THR A 50 -27.359 -1.635 -14.493 1.00 15.19 C +ATOM 438 OG1 THR A 50 -28.152 -2.067 -13.397 1.00 14.97 O +ATOM 439 CG2 THR A 50 -28.220 -1.164 -15.716 1.00 15.23 C +ATOM 440 C THR A 50 -25.340 -2.895 -13.784 1.00 14.00 C +ATOM 441 O THR A 50 -24.518 -2.002 -13.649 1.00 13.59 O +ATOM 442 N HIS A 51 -25.306 -4.033 -13.066 1.00 12.10 N +ATOM 443 CA HIS A 51 -24.162 -4.416 -12.246 1.00 11.62 C +ATOM 444 CB HIS A 51 -24.374 -5.800 -11.622 1.00 13.56 C +ATOM 445 CG HIS A 51 -24.528 -6.895 -12.640 1.00 12.87 C +ATOM 446 ND1 HIS A 51 -23.447 -7.477 -13.269 1.00 8.49 N +ATOM 447 CE1 HIS A 51 -23.892 -8.361 -14.152 1.00 12.06 C +ATOM 448 NE2 HIS A 51 -25.222 -8.359 -14.129 1.00 12.69 N +ATOM 449 CD2 HIS A 51 -25.642 -7.433 -13.206 1.00 9.97 C +ATOM 450 C HIS A 51 -22.818 -4.350 -13.069 1.00 12.16 C +ATOM 451 O HIS A 51 -21.731 -3.974 -12.547 1.00 11.44 O +ATOM 452 N ALA A 52 -22.901 -4.624 -14.369 1.00 10.69 N +ATOM 453 CA ALA A 52 -21.727 -4.586 -15.238 1.00 11.23 C +ATOM 454 CB ALA A 52 -21.996 -5.315 -16.543 1.00 13.23 C +ATOM 455 C ALA A 52 -21.104 -3.200 -15.532 1.00 9.35 C +ATOM 456 O ALA A 52 -19.929 -3.130 -15.941 1.00 9.41 O +ATOM 457 N LEU A 53 -21.850 -2.142 -15.229 1.00 9.87 N +ATOM 458 CA LEU A 53 -21.487 -0.729 -15.522 1.00 12.33 C +ATOM 459 CB LEU A 53 -22.731 0.087 -15.857 1.00 11.52 C +ATOM 460 CG LEU A 53 -23.500 -0.408 -17.099 1.00 16.11 C +ATOM 461 CD1 LEU A 53 -24.669 0.516 -17.369 1.00 15.54 C +ATOM 462 CD2 LEU A 53 -22.622 -0.476 -18.352 1.00 16.40 C +ATOM 463 C LEU A 53 -20.765 -0.011 -14.391 1.00 13.74 C +ATOM 464 O LEU A 53 -20.313 1.101 -14.578 1.00 16.46 O +ATOM 465 N MET A 54 -20.675 -0.662 -13.215 1.00 14.40 N +ATOM 466 CA MET A 54 -20.087 -0.074 -12.011 1.00 10.98 C +ATOM 467 CB MET A 54 -20.922 -0.496 -10.821 1.00 10.55 C +ATOM 468 CG MET A 54 -22.201 0.266 -10.716 1.00 13.54 C +ATOM 469 SD MET A 54 -23.150 -0.107 -9.242 1.00 10.40 S +ATOM 470 CE MET A 54 -23.709 -1.750 -9.760 1.00 9.03 C +ATOM 471 C MET A 54 -18.659 -0.617 -11.815 1.00 12.18 C +ATOM 472 O MET A 54 -18.407 -1.816 -11.942 1.00 12.58 O +ATOM 473 N HIS A 55 -17.718 0.282 -11.519 1.00 12.28 N +ATOM 474 CA HIS A 55 -16.402 -0.098 -11.122 1.00 11.39 C +ATOM 475 CB HIS A 55 -15.402 0.226 -12.223 1.00 11.48 C +ATOM 476 CG HIS A 55 -15.670 -0.507 -13.484 1.00 12.61 C +ATOM 477 ND1 HIS A 55 -16.510 -0.014 -14.469 1.00 13.59 N +ATOM 478 CE1 HIS A 55 -16.572 -0.882 -15.456 1.00 14.30 C +ATOM 479 NE2 HIS A 55 -15.830 -1.932 -15.142 1.00 12.53 N +ATOM 480 CD2 HIS A 55 -15.255 -1.721 -13.909 1.00 14.17 C +ATOM 481 C HIS A 55 -15.991 0.523 -9.799 1.00 11.45 C +ATOM 482 O HIS A 55 -16.334 1.625 -9.509 1.00 13.10 O +ATOM 483 N PHE A 56 -15.197 -0.218 -9.023 1.00 10.11 N +ATOM 484 CA PHE A 56 -14.780 0.198 -7.677 1.00 9.89 C +ATOM 485 CB PHE A 56 -14.931 -0.981 -6.719 1.00 10.76 C +ATOM 486 CG PHE A 56 -16.299 -1.576 -6.764 1.00 13.55 C +ATOM 487 CD1 PHE A 56 -17.412 -0.792 -6.398 1.00 14.41 C +ATOM 488 CE1 PHE A 56 -18.707 -1.311 -6.464 1.00 21.55 C +ATOM 489 CZ PHE A 56 -18.903 -2.619 -6.890 1.00 23.29 C +ATOM 490 CE2 PHE A 56 -17.801 -3.420 -7.207 1.00 17.99 C +ATOM 491 CD2 PHE A 56 -16.503 -2.885 -7.163 1.00 17.37 C +ATOM 492 C PHE A 56 -13.409 0.743 -7.588 1.00 8.06 C +ATOM 493 O PHE A 56 -13.048 1.278 -6.579 1.00 11.21 O +ATOM 494 N SER A 57 -12.641 0.621 -8.662 1.00 9.25 N +ATOM 495 CA SER A 57 -11.309 1.121 -8.719 1.00 12.25 C +ATOM 496 CB SER A 57 -10.305 0.055 -8.232 1.00 12.81 C +ATOM 497 OG SER A 57 -9.992 -0.856 -9.277 1.00 15.25 O +ATOM 498 C SER A 57 -10.962 1.579 -10.154 1.00 12.91 C +ATOM 499 O SER A 57 -11.436 1.029 -11.143 1.00 14.35 O +ATOM 500 N LEU A 58 -10.100 2.595 -10.204 1.00 10.97 N +ATOM 501 CA LEU A 58 -9.541 3.187 -11.377 1.00 11.43 C +ATOM 502 CB LEU A 58 -8.574 4.278 -10.889 1.00 12.33 C +ATOM 503 CG LEU A 58 -7.769 4.961 -11.956 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -8.753 5.460 -13.008 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.951 6.100 -11.335 1.00 14.25 C +ATOM 506 C LEU A 58 -8.781 2.172 -12.222 1.00 13.71 C +ATOM 507 O LEU A 58 -8.892 2.121 -13.455 1.00 11.94 O +ATOM 508 N MET A 59 -7.984 1.350 -11.543 1.00 16.33 N +ATOM 509 CA MET A 59 -7.172 0.347 -12.222 1.00 18.57 C +ATOM 510 CB MET A 59 -6.221 -0.276 -11.190 1.00 23.05 C +ATOM 511 CG AMET A 59 -5.848 -1.721 -11.393 0.48 26.57 C +ATOM 512 CG BMET A 59 -6.124 -1.803 -11.148 0.52 26.84 C +ATOM 513 SD AMET A 59 -4.090 -1.947 -11.054 0.48 22.79 S +ATOM 514 SD BMET A 59 -5.190 -2.652 -12.431 0.52 29.36 S +ATOM 515 CE AMET A 59 -4.065 -3.702 -11.403 0.48 24.88 C +ATOM 516 CE BMET A 59 -3.736 -1.611 -12.374 0.52 22.56 C +ATOM 517 C MET A 59 -8.093 -0.619 -13.013 1.00 17.18 C +ATOM 518 O MET A 59 -7.845 -0.858 -14.194 1.00 14.21 O +ATOM 519 N HIS A 60 -9.204 -1.053 -12.393 1.00 14.12 N +ATOM 520 CA HIS A 60 -10.122 -2.008 -12.999 1.00 16.07 C +ATOM 521 CB HIS A 60 -10.946 -2.676 -11.918 1.00 22.58 C +ATOM 522 CG HIS A 60 -10.148 -3.649 -11.108 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -10.694 -4.455 -10.131 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -9.740 -5.208 -9.611 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -8.598 -4.927 -10.219 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -8.834 -3.967 -11.166 1.00 50.39 C +ATOM 527 C HIS A 60 -10.984 -1.437 -14.136 1.00 12.01 C +ATOM 528 O HIS A 60 -11.158 -2.109 -15.168 1.00 10.26 O +ATOM 529 N ILE A 61 -11.462 -0.195 -13.989 1.00 8.67 N +ATOM 530 CA ILE A 61 -12.155 0.432 -15.084 1.00 8.62 C +ATOM 531 CB ILE A 61 -12.923 1.696 -14.707 1.00 7.58 C +ATOM 532 CG1 ILE A 61 -13.876 2.075 -15.865 1.00 8.87 C +ATOM 533 CD1 ILE A 61 -14.766 3.269 -15.582 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -12.014 2.843 -14.359 1.00 8.93 C +ATOM 535 C ILE A 61 -11.245 0.557 -16.296 1.00 8.60 C +ATOM 536 O ILE A 61 -11.641 0.262 -17.414 1.00 8.64 O +ATOM 537 N LEU A 62 -9.995 0.926 -16.073 1.00 12.67 N +ATOM 538 CA LEU A 62 -9.051 1.149 -17.166 1.00 13.90 C +ATOM 539 CB LEU A 62 -7.790 1.855 -16.686 1.00 18.30 C +ATOM 540 CG LEU A 62 -7.969 3.362 -16.395 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.817 3.910 -15.541 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -8.082 4.161 -17.687 1.00 22.18 C +ATOM 543 C LEU A 62 -8.719 -0.131 -17.884 1.00 10.78 C +ATOM 544 O LEU A 62 -8.805 -0.193 -19.091 1.00 8.81 O +ATOM 545 N PHE A 63 -8.380 -1.181 -17.139 1.00 12.10 N +ATOM 546 CA PHE A 63 -8.090 -2.474 -17.781 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.407 -3.464 -16.831 1.00 13.80 C +ATOM 548 CG PHE A 63 -5.941 -3.183 -16.702 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -5.089 -3.427 -17.791 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -3.742 -3.109 -17.738 1.00 29.98 C +ATOM 551 CZ PHE A 63 -3.233 -2.517 -16.607 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -4.056 -2.247 -15.537 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -5.416 -2.561 -15.584 1.00 23.06 C +ATOM 554 C PHE A 63 -9.326 -3.070 -18.457 1.00 9.46 C +ATOM 555 O PHE A 63 -9.207 -3.538 -19.579 1.00 9.63 O +ATOM 556 N ASN A 64 -10.478 -3.067 -17.768 1.00 8.67 N +ATOM 557 CA ASN A 64 -11.744 -3.618 -18.289 1.00 9.14 C +ATOM 558 CB ASN A 64 -12.938 -3.517 -17.280 1.00 11.48 C +ATOM 559 CG ASN A 64 -12.813 -4.452 -16.067 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -13.567 -4.410 -15.003 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -11.837 -5.310 -16.206 1.00 12.68 N +ATOM 562 C ASN A 64 -12.049 -2.879 -19.624 1.00 8.26 C +ATOM 563 O ASN A 64 -12.353 -3.484 -20.639 1.00 10.86 O +ATOM 564 N LEU A 65 -11.917 -1.556 -19.640 1.00 8.25 N +ATOM 565 CA LEU A 65 -12.282 -0.817 -20.829 1.00 7.48 C +ATOM 566 CB LEU A 65 -12.625 0.628 -20.544 1.00 6.64 C +ATOM 567 CG LEU A 65 -13.934 0.924 -19.821 1.00 6.96 C +ATOM 568 CD1 LEU A 65 -14.229 2.403 -19.750 1.00 6.37 C +ATOM 569 CD2 LEU A 65 -15.155 0.302 -20.431 1.00 8.07 C +ATOM 570 C LEU A 65 -11.296 -0.983 -21.943 1.00 8.20 C +ATOM 571 O LEU A 65 -11.686 -0.865 -23.107 1.00 10.57 O +ATOM 572 N LEU A 66 -10.026 -1.232 -21.602 1.00 9.34 N +ATOM 573 CA LEU A 66 -8.977 -1.434 -22.585 1.00 11.79 C +ATOM 574 CB LEU A 66 -7.609 -1.583 -21.880 1.00 16.80 C +ATOM 575 CG LEU A 66 -6.435 -1.833 -22.858 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.179 -0.616 -23.757 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -5.157 -2.306 -22.137 1.00 27.68 C +ATOM 578 C LEU A 66 -9.290 -2.701 -23.381 1.00 10.64 C +ATOM 579 O LEU A 66 -9.285 -2.701 -24.625 1.00 15.70 O +ATOM 580 N TRP A 67 -9.545 -3.780 -22.643 1.00 9.19 N +ATOM 581 CA TRP A 67 -9.915 -5.080 -23.183 1.00 11.28 C +ATOM 582 CB TRP A 67 -10.045 -6.109 -22.048 1.00 13.34 C +ATOM 583 CG TRP A 67 -8.747 -6.690 -21.568 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -8.240 -6.639 -20.291 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -7.073 -7.335 -20.214 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -6.774 -7.848 -21.450 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.831 -7.479 -22.330 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.813 -7.926 -23.655 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -6.754 -8.686 -24.077 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -5.689 -9.045 -23.164 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -5.697 -8.639 -21.855 1.00 14.32 C +ATOM 592 C TRP A 67 -11.229 -5.057 -23.949 1.00 8.88 C +ATOM 593 O TRP A 67 -11.307 -5.624 -25.015 1.00 8.19 O +ATOM 594 N TRP A 68 -12.261 -4.429 -23.359 1.00 10.01 N +ATOM 595 CA TRP A 68 -13.549 -4.179 -24.023 1.00 10.75 C +ATOM 596 CB TRP A 68 -14.515 -3.403 -23.106 1.00 12.22 C +ATOM 597 CG TRP A 68 -15.684 -2.815 -23.867 1.00 10.28 C +ATOM 598 CD1 TRP A 68 -15.769 -1.553 -24.400 1.00 10.20 C +ATOM 599 NE1 TRP A 68 -16.953 -1.392 -25.037 1.00 12.09 N +ATOM 600 CE2 TRP A 68 -17.667 -2.549 -24.959 1.00 10.02 C +ATOM 601 CD2 TRP A 68 -16.889 -3.469 -24.198 1.00 9.02 C +ATOM 602 CE3 TRP A 68 -17.394 -4.747 -23.945 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 -18.693 -5.072 -24.436 1.00 10.67 C +ATOM 604 CH2 TRP A 68 -19.459 -4.109 -25.176 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 -18.951 -2.860 -25.466 1.00 10.72 C +ATOM 606 C TRP A 68 -13.338 -3.419 -25.345 1.00 12.58 C +ATOM 607 O TRP A 68 -13.855 -3.832 -26.396 1.00 12.72 O +ATOM 608 N TRP A 69 -12.540 -2.345 -25.308 1.00 9.65 N +ATOM 609 CA TRP A 69 -12.296 -1.574 -26.504 1.00 11.78 C +ATOM 610 CB TRP A 69 -11.443 -0.326 -26.171 1.00 14.65 C +ATOM 611 CG TRP A 69 -11.064 0.617 -27.339 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -11.883 1.088 -28.317 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -11.196 1.910 -29.172 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -9.903 1.986 -28.760 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -9.784 1.184 -27.597 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -8.548 1.138 -26.932 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -7.469 1.884 -27.459 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -7.629 2.661 -28.628 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -8.835 2.727 -29.282 1.00 36.39 C +ATOM 620 C TRP A 69 -11.630 -2.439 -27.601 1.00 10.65 C +ATOM 621 O TRP A 69 -12.004 -2.373 -28.772 1.00 7.41 O +ATOM 622 N TYR A 70 -10.626 -3.223 -27.206 1.00 9.26 N +ATOM 623 CA TYR A 70 -9.925 -4.081 -28.158 1.00 10.38 C +ATOM 624 CB TYR A 70 -8.599 -4.590 -27.568 1.00 11.80 C +ATOM 625 CG TYR A 70 -7.693 -5.251 -28.578 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.996 -4.507 -29.526 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -6.176 -5.126 -30.475 1.00 19.00 C +ATOM 628 CZ TYR A 70 -6.078 -6.512 -30.487 1.00 21.71 C +ATOM 629 OH TYR A 70 -5.267 -7.185 -31.386 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -6.779 -7.261 -29.567 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -7.573 -6.628 -28.617 1.00 19.10 C +ATOM 632 C TYR A 70 -10.751 -5.271 -28.672 1.00 8.62 C +ATOM 633 O TYR A 70 -10.856 -5.491 -29.872 1.00 8.15 O +ATOM 634 N LEU A 71 -11.307 -6.068 -27.763 1.00 8.22 N +ATOM 635 CA LEU A 71 -11.956 -7.291 -28.167 1.00 8.75 C +ATOM 636 CB LEU A 71 -11.989 -8.301 -27.042 1.00 10.19 C +ATOM 637 CG LEU A 71 -10.671 -8.786 -26.460 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -10.965 -9.735 -25.348 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -9.855 -9.528 -27.499 1.00 13.03 C +ATOM 640 C LEU A 71 -13.369 -6.981 -28.600 1.00 9.72 C +ATOM 641 O LEU A 71 -13.791 -7.390 -29.687 1.00 10.90 O +ATOM 642 N GLY A 72 -14.084 -6.233 -27.749 1.00 10.28 N +ATOM 643 CA GLY A 72 -15.360 -5.618 -28.107 1.00 10.65 C +ATOM 644 C GLY A 72 -15.302 -5.014 -29.487 1.00 9.77 C +ATOM 645 O GLY A 72 -16.078 -5.357 -30.316 1.00 10.46 O +ATOM 646 N GLY A 73 -14.343 -4.124 -29.734 1.00 10.80 N +ATOM 647 CA GLY A 73 -14.260 -3.396 -30.997 1.00 9.84 C +ATOM 648 C GLY A 73 -13.985 -4.294 -32.205 1.00 9.93 C +ATOM 649 O GLY A 73 -14.514 -4.093 -33.311 1.00 9.02 O +ATOM 650 N ALA A 74 -13.152 -5.312 -31.995 1.00 10.45 N +ATOM 651 CA ALA A 74 -12.895 -6.308 -33.031 1.00 10.89 C +ATOM 652 CB ALA A 74 -11.826 -7.294 -32.554 1.00 10.75 C +ATOM 653 C ALA A 74 -14.217 -7.043 -33.378 1.00 8.90 C +ATOM 654 O ALA A 74 -14.622 -7.108 -34.518 1.00 9.49 O +ATOM 655 N VAL A 75 -14.905 -7.548 -32.359 1.00 8.02 N +ATOM 656 CA VAL A 75 -16.136 -8.257 -32.596 1.00 9.54 C +ATOM 657 CB VAL A 75 -16.763 -8.780 -31.302 1.00 8.90 C +ATOM 658 CG1 VAL A 75 -18.160 -9.337 -31.566 1.00 10.78 C +ATOM 659 CG2 VAL A 75 -15.877 -9.861 -30.724 1.00 8.31 C +ATOM 660 C VAL A 75 -17.126 -7.429 -33.411 1.00 8.80 C +ATOM 661 O VAL A 75 -17.639 -7.900 -34.389 1.00 10.62 O +ATOM 662 N GLU A 76 -17.402 -6.206 -32.983 1.00 9.32 N +ATOM 663 CA GLU A 76 -18.325 -5.313 -33.689 1.00 11.38 C +ATOM 664 CB GLU A 76 -18.458 -3.959 -32.979 1.00 13.00 C +ATOM 665 CG GLU A 76 -19.459 -2.960 -33.569 1.00 11.01 C +ATOM 666 CD GLU A 76 -19.930 -1.972 -32.515 1.00 12.62 C +ATOM 667 OE1 GLU A 76 -19.183 -1.652 -31.548 1.00 12.49 O +ATOM 668 OE2 GLU A 76 -21.075 -1.503 -32.634 1.00 16.29 O +ATOM 669 C GLU A 76 -17.901 -5.085 -35.109 1.00 13.17 C +ATOM 670 O GLU A 76 -18.731 -5.165 -36.019 1.00 14.71 O +ATOM 671 N LYS A 77 -16.614 -4.801 -35.315 1.00 13.53 N +ATOM 672 CA LYS A 77 -16.122 -4.518 -36.648 1.00 16.95 C +ATOM 673 CB LYS A 77 -14.657 -4.040 -36.619 1.00 24.89 C +ATOM 674 CG LYS A 77 -14.161 -3.299 -37.866 1.00 29.96 C +ATOM 675 CD LYS A 77 -14.941 -2.005 -38.217 1.00 48.81 C +ATOM 676 CE LYS A 77 -15.143 -0.991 -37.062 1.00 51.17 C +ATOM 677 NZ LYS A 77 -16.530 -0.918 -36.453 1.00 41.66 N +ATOM 678 C LYS A 77 -16.262 -5.727 -37.572 1.00 13.69 C +ATOM 679 O LYS A 77 -16.677 -5.582 -38.695 1.00 11.09 O +ATOM 680 N ARG A 78 -15.902 -6.922 -37.107 1.00 13.15 N +ATOM 681 CA ARG A 78 -15.846 -8.048 -38.034 1.00 17.21 C +ATOM 682 CB ARG A 78 -14.682 -8.998 -37.745 1.00 26.03 C +ATOM 683 CG ARG A 78 -13.397 -8.360 -37.220 1.00 42.52 C +ATOM 684 CD ARG A 78 -12.379 -7.830 -38.235 1.00 53.37 C +ATOM 685 NE ARG A 78 -11.577 -6.732 -37.625 1.00 85.31 N +ATOM 686 CZ ARG A 78 -10.644 -6.856 -36.659 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -10.316 -8.045 -36.148 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -10.027 -5.770 -36.185 1.00 57.06 N +ATOM 689 C ARG A 78 -17.168 -8.817 -38.138 1.00 12.62 C +ATOM 690 O ARG A 78 -17.476 -9.334 -39.200 1.00 12.21 O +ATOM 691 N LEU A 79 -17.925 -8.884 -37.034 1.00 10.41 N +ATOM 692 CA LEU A 79 -19.150 -9.689 -36.895 1.00 8.22 C +ATOM 693 CB LEU A 79 -19.032 -10.642 -35.681 1.00 8.17 C +ATOM 694 CG LEU A 79 -17.737 -11.450 -35.652 1.00 8.98 C +ATOM 695 CD1 LEU A 79 -17.606 -12.471 -34.513 1.00 8.36 C +ATOM 696 CD2 LEU A 79 -17.616 -12.166 -36.995 1.00 9.32 C +ATOM 697 C LEU A 79 -20.417 -8.847 -36.746 1.00 6.91 C +ATOM 698 O LEU A 79 -21.527 -9.358 -36.876 1.00 8.56 O +ATOM 699 N GLY A 80 -20.272 -7.557 -36.453 1.00 5.95 N +ATOM 700 CA GLY A 80 -21.408 -6.681 -36.293 1.00 5.85 C +ATOM 701 C GLY A 80 -21.738 -6.281 -34.849 1.00 6.74 C +ATOM 702 O GLY A 80 -21.452 -6.996 -33.891 1.00 6.31 O +ATOM 703 N SER A 81 -22.427 -5.142 -34.751 1.00 6.52 N +ATOM 704 CA SER A 81 -23.011 -4.613 -33.568 1.00 7.29 C +ATOM 705 CB SER A 81 -23.800 -3.357 -33.946 1.00 6.49 C +ATOM 706 OG SER A 81 -22.894 -2.315 -34.225 1.00 7.34 O +ATOM 707 C SER A 81 -23.900 -5.582 -32.808 1.00 7.07 C +ATOM 708 O SER A 81 -23.785 -5.703 -31.543 1.00 7.73 O +ATOM 709 N GLY A 82 -24.761 -6.284 -33.547 1.00 6.35 N +ATOM 710 CA GLY A 82 -25.686 -7.239 -32.962 1.00 6.26 C +ATOM 711 C GLY A 82 -25.010 -8.351 -32.158 1.00 6.75 C +ATOM 712 O GLY A 82 -25.465 -8.743 -31.075 1.00 7.96 O +ATOM 713 N LYS A 83 -23.926 -8.884 -32.716 1.00 6.78 N +ATOM 714 CA LYS A 83 -23.197 -9.951 -32.130 1.00 7.45 C +ATOM 715 CB LYS A 83 -22.079 -10.352 -33.092 1.00 10.15 C +ATOM 716 CG LYS A 83 -21.203 -11.485 -32.552 1.00 13.46 C +ATOM 717 CD LYS A 83 -21.959 -12.777 -32.354 1.00 15.35 C +ATOM 718 CE LYS A 83 -22.229 -13.440 -33.701 1.00 13.83 C +ATOM 719 NZ LYS A 83 -22.853 -14.738 -33.391 1.00 17.70 N +ATOM 720 C LYS A 83 -22.612 -9.460 -30.791 1.00 7.49 C +ATOM 721 O LYS A 83 -22.686 -10.144 -29.784 1.00 6.49 O +ATOM 722 N LEU A 84 -22.055 -8.243 -30.786 1.00 7.56 N +ATOM 723 CA LEU A 84 -21.476 -7.676 -29.567 1.00 8.80 C +ATOM 724 CB LEU A 84 -20.776 -6.345 -29.822 1.00 8.75 C +ATOM 725 CG LEU A 84 -20.035 -5.752 -28.602 1.00 9.25 C +ATOM 726 CD1 LEU A 84 -19.131 -6.767 -27.942 1.00 11.42 C +ATOM 727 CD2 LEU A 84 -19.228 -4.516 -28.998 1.00 8.81 C +ATOM 728 C LEU A 84 -22.558 -7.475 -28.527 1.00 9.07 C +ATOM 729 O LEU A 84 -22.344 -7.783 -27.372 1.00 7.30 O +ATOM 730 N ILE A 85 -23.721 -6.959 -28.964 1.00 8.25 N +ATOM 731 CA ILE A 85 -24.876 -6.826 -28.071 1.00 8.61 C +ATOM 732 CB ILE A 85 -26.081 -6.227 -28.807 1.00 9.61 C +ATOM 733 CG1 ILE A 85 -25.818 -4.735 -29.062 1.00 10.88 C +ATOM 734 CD1 ILE A 85 -26.736 -4.127 -30.111 1.00 13.48 C +ATOM 735 CG2 ILE A 85 -27.392 -6.397 -28.007 1.00 9.42 C +ATOM 736 C ILE A 85 -25.268 -8.119 -27.342 1.00 7.41 C +ATOM 737 O ILE A 85 -25.422 -8.111 -26.115 1.00 8.94 O +ATOM 738 N VAL A 86 -25.415 -9.219 -28.085 1.00 6.37 N +ATOM 739 CA VAL A 86 -25.884 -10.465 -27.491 1.00 6.19 C +ATOM 740 CB AVAL A 86 -26.273 -11.494 -28.594 0.51 5.97 C +ATOM 741 CB BVAL A 86 -26.459 -11.491 -28.507 0.49 6.20 C +ATOM 742 CG1AVAL A 86 -27.034 -12.683 -28.001 0.51 5.42 C +ATOM 743 CG1BVAL A 86 -27.752 -10.950 -29.078 0.49 6.31 C +ATOM 744 CG2AVAL A 86 -27.045 -10.819 -29.719 0.51 5.92 C +ATOM 745 CG2BVAL A 86 -25.454 -11.880 -29.591 0.49 5.81 C +ATOM 746 C VAL A 86 -24.838 -11.101 -26.593 1.00 7.25 C +ATOM 747 O VAL A 86 -25.156 -11.551 -25.509 1.00 7.60 O +ATOM 748 N ILE A 87 -23.577 -11.134 -27.042 1.00 8.21 N +ATOM 749 CA ILE A 87 -22.494 -11.541 -26.144 1.00 9.69 C +ATOM 750 CB ILE A 87 -21.147 -11.350 -26.793 1.00 10.87 C +ATOM 751 CG1 ILE A 87 -20.997 -12.340 -27.919 1.00 10.95 C +ATOM 752 CD1 ILE A 87 -19.722 -12.109 -28.723 1.00 11.24 C +ATOM 753 CG2 ILE A 87 -20.024 -11.536 -25.766 1.00 14.74 C +ATOM 754 C ILE A 87 -22.538 -10.784 -24.812 1.00 8.23 C +ATOM 755 O ILE A 87 -22.523 -11.346 -23.716 1.00 8.72 O +ATOM 756 N THR A 88 -22.670 -9.477 -24.926 1.00 10.12 N +ATOM 757 CA THR A 88 -22.714 -8.602 -23.763 1.00 9.66 C +ATOM 758 CB THR A 88 -22.715 -7.129 -24.183 1.00 8.86 C +ATOM 759 OG1 THR A 88 -21.550 -6.851 -24.946 1.00 8.21 O +ATOM 760 CG2 THR A 88 -22.750 -6.198 -22.941 1.00 9.41 C +ATOM 761 C THR A 88 -23.930 -8.894 -22.883 1.00 10.56 C +ATOM 762 O THR A 88 -23.764 -8.988 -21.693 1.00 9.67 O +ATOM 763 N LEU A 89 -25.143 -9.003 -23.472 1.00 9.79 N +ATOM 764 CA LEU A 89 -26.351 -9.272 -22.666 1.00 9.43 C +ATOM 765 CB LEU A 89 -27.643 -9.258 -23.486 1.00 10.49 C +ATOM 766 CG LEU A 89 -27.995 -7.896 -24.095 1.00 13.29 C +ATOM 767 CD1 LEU A 89 -29.258 -8.022 -24.924 1.00 12.80 C +ATOM 768 CD2 LEU A 89 -28.146 -6.789 -23.045 1.00 15.37 C +ATOM 769 C LEU A 89 -26.282 -10.585 -21.926 1.00 10.23 C +ATOM 770 O LEU A 89 -26.704 -10.679 -20.764 1.00 16.46 O +ATOM 771 N ILE A 90 -25.812 -11.623 -22.624 1.00 9.43 N +ATOM 772 CA ILE A 90 -25.857 -12.976 -22.135 1.00 10.41 C +ATOM 773 CB ILE A 90 -25.635 -14.011 -23.289 1.00 10.97 C +ATOM 774 CG1 ILE A 90 -26.824 -14.038 -24.260 1.00 10.17 C +ATOM 775 CD1 ILE A 90 -26.655 -15.025 -25.433 1.00 11.35 C +ATOM 776 CG2 ILE A 90 -25.509 -15.408 -22.688 1.00 13.93 C +ATOM 777 C ILE A 90 -24.770 -13.094 -21.068 1.00 10.30 C +ATOM 778 O ILE A 90 -24.983 -13.657 -20.017 1.00 11.27 O +ATOM 779 N SER A 91 -23.585 -12.592 -21.376 1.00 9.52 N +ATOM 780 CA SER A 91 -22.496 -12.648 -20.400 1.00 14.52 C +ATOM 781 CB SER A 91 -21.150 -12.232 -20.995 1.00 13.25 C +ATOM 782 OG SER A 91 -21.137 -10.897 -21.373 1.00 12.23 O +ATOM 783 C SER A 91 -22.830 -11.849 -19.104 1.00 10.37 C +ATOM 784 O SER A 91 -22.594 -12.347 -18.006 1.00 9.69 O +ATOM 785 N ALA A 92 -23.413 -10.658 -19.258 1.00 9.09 N +ATOM 786 CA ALA A 92 -23.796 -9.842 -18.101 1.00 9.92 C +ATOM 787 CB ALA A 92 -24.308 -8.468 -18.495 1.00 9.81 C +ATOM 788 C ALA A 92 -24.801 -10.537 -17.236 1.00 9.21 C +ATOM 789 O ALA A 92 -24.706 -10.526 -16.033 1.00 11.95 O +ATOM 790 N LEU A 93 -25.808 -11.144 -17.859 1.00 12.58 N +ATOM 791 CA LEU A 93 -26.889 -11.767 -17.122 1.00 11.15 C +ATOM 792 CB LEU A 93 -27.971 -12.131 -18.109 1.00 13.97 C +ATOM 793 CG LEU A 93 -29.237 -12.642 -17.553 1.00 15.28 C +ATOM 794 CD1 LEU A 93 -29.899 -11.649 -16.608 1.00 14.89 C +ATOM 795 CD2 LEU A 93 -30.116 -12.981 -18.765 1.00 18.93 C +ATOM 796 C LEU A 93 -26.415 -13.023 -16.412 1.00 9.22 C +ATOM 797 O LEU A 93 -26.731 -13.238 -15.228 1.00 9.53 O +ATOM 798 N LEU A 94 -25.694 -13.876 -17.152 1.00 8.54 N +ATOM 799 CA LEU A 94 -25.294 -15.171 -16.619 1.00 10.77 C +ATOM 800 CB ALEU A 94 -24.829 -16.136 -17.723 0.55 9.48 C +ATOM 801 CB BLEU A 94 -24.816 -16.139 -17.721 0.45 10.53 C +ATOM 802 CG ALEU A 94 -25.951 -16.947 -18.370 0.55 8.72 C +ATOM 803 CG BLEU A 94 -25.178 -17.633 -17.610 0.45 11.01 C +ATOM 804 CD1ALEU A 94 -26.867 -16.083 -19.194 0.55 8.52 C +ATOM 805 CD1BLEU A 94 -24.001 -18.494 -18.067 0.45 10.97 C +ATOM 806 CD2ALEU A 94 -25.392 -18.028 -19.262 0.55 9.47 C +ATOM 807 CD2BLEU A 94 -25.628 -18.110 -16.232 0.45 10.57 C +ATOM 808 C LEU A 94 -24.214 -14.981 -15.547 1.00 10.87 C +ATOM 809 O LEU A 94 -24.253 -15.639 -14.484 1.00 14.49 O +ATOM 810 N SER A 95 -23.285 -14.047 -15.793 1.00 9.20 N +ATOM 811 CA SER A 95 -22.207 -13.834 -14.848 1.00 9.77 C +ATOM 812 CB SER A 95 -21.117 -12.956 -15.460 1.00 11.24 C +ATOM 813 OG SER A 95 -21.572 -11.635 -15.673 1.00 10.77 O +ATOM 814 C SER A 95 -22.751 -13.283 -13.559 1.00 10.28 C +ATOM 815 O SER A 95 -22.375 -13.713 -12.471 1.00 11.54 O +ATOM 816 N GLY A 96 -23.731 -12.382 -13.665 1.00 9.63 N +ATOM 817 CA GLY A 96 -24.378 -11.829 -12.478 1.00 9.09 C +ATOM 818 C GLY A 96 -25.141 -12.884 -11.699 1.00 10.87 C +ATOM 819 O GLY A 96 -25.141 -12.896 -10.441 1.00 9.44 O +ATOM 820 N TYR A 97 -25.859 -13.751 -12.429 1.00 10.40 N +ATOM 821 CA TYR A 97 -26.655 -14.754 -11.774 1.00 10.22 C +ATOM 822 CB TYR A 97 -27.494 -15.567 -12.778 1.00 9.26 C +ATOM 823 CG TYR A 97 -27.807 -16.936 -12.322 1.00 11.80 C +ATOM 824 CD1 TYR A 97 -28.754 -17.188 -11.355 1.00 13.53 C +ATOM 825 CE1 TYR A 97 -28.983 -18.468 -10.903 1.00 15.13 C +ATOM 826 CZ TYR A 97 -28.277 -19.507 -11.428 1.00 17.92 C +ATOM 827 OH TYR A 97 -28.481 -20.849 -11.075 1.00 35.59 O +ATOM 828 CE2 TYR A 97 -27.349 -19.281 -12.393 1.00 20.60 C +ATOM 829 CD2 TYR A 97 -27.099 -18.002 -12.821 1.00 15.19 C +ATOM 830 C TYR A 97 -25.742 -15.665 -10.949 1.00 10.61 C +ATOM 831 O TYR A 97 -26.076 -16.007 -9.815 1.00 9.19 O +ATOM 832 N VAL A 98 -24.630 -16.110 -11.557 1.00 10.24 N +ATOM 833 CA VAL A 98 -23.738 -17.053 -10.906 1.00 11.42 C +ATOM 834 CB VAL A 98 -22.720 -17.603 -11.911 1.00 13.55 C +ATOM 835 CG1 VAL A 98 -21.656 -18.421 -11.180 1.00 13.24 C +ATOM 836 CG2 VAL A 98 -23.432 -18.479 -12.959 1.00 13.47 C +ATOM 837 C VAL A 98 -23.008 -16.416 -9.723 1.00 9.87 C +ATOM 838 O VAL A 98 -22.858 -17.034 -8.676 1.00 8.32 O +ATOM 839 N GLN A 99 -22.532 -15.185 -9.922 1.00 9.03 N +ATOM 840 CA GLN A 99 -21.917 -14.421 -8.865 1.00 10.14 C +ATOM 841 CB GLN A 99 -21.501 -13.048 -9.325 1.00 9.94 C +ATOM 842 CG GLN A 99 -20.687 -12.277 -8.253 1.00 12.42 C +ATOM 843 CD GLN A 99 -19.453 -13.015 -7.762 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -18.792 -13.713 -8.536 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -19.178 -12.931 -6.446 1.00 13.91 N +ATOM 846 C GLN A 99 -22.804 -14.289 -7.663 1.00 10.64 C +ATOM 847 O GLN A 99 -22.344 -14.507 -6.511 1.00 13.44 O +ATOM 848 N GLN A 100 -24.070 -13.917 -7.883 1.00 11.43 N +ATOM 849 CA GLN A 100 -24.954 -13.695 -6.736 1.00 10.79 C +ATOM 850 CB GLN A 100 -26.196 -12.878 -7.043 1.00 15.29 C +ATOM 851 CG GLN A 100 -27.204 -13.459 -8.029 1.00 15.18 C +ATOM 852 CD GLN A 100 -28.114 -14.523 -7.458 1.00 20.02 C +ATOM 853 OE1 GLN A 100 -28.505 -14.435 -6.271 1.00 17.98 O +ATOM 854 NE2 GLN A 100 -28.388 -15.624 -8.285 1.00 13.46 N +ATOM 855 C GLN A 100 -25.298 -14.992 -6.047 1.00 11.18 C +ATOM 856 O GLN A 100 -25.412 -15.020 -4.832 1.00 10.28 O +ATOM 857 N LYS A 101 -25.404 -16.087 -6.811 1.00 12.05 N +ATOM 858 CA LYS A 101 -25.674 -17.401 -6.220 1.00 15.91 C +ATOM 859 CB LYS A 101 -25.751 -18.484 -7.295 1.00 19.62 C +ATOM 860 CG LYS A 101 -26.193 -19.845 -6.800 1.00 25.54 C +ATOM 861 CD LYS A 101 -27.485 -19.801 -5.989 1.00 36.13 C +ATOM 862 CE LYS A 101 -28.621 -19.017 -6.647 1.00 47.35 C +ATOM 863 NZ LYS A 101 -29.789 -18.961 -5.714 1.00 53.61 N +ATOM 864 C LYS A 101 -24.603 -17.820 -5.194 1.00 14.76 C +ATOM 865 O LYS A 101 -24.938 -18.368 -4.195 1.00 12.05 O +ATOM 866 N PHE A 102 -23.324 -17.590 -5.499 1.00 17.64 N +ATOM 867 CA PHE A 102 -22.218 -18.037 -4.646 1.00 22.08 C +ATOM 868 CB PHE A 102 -20.889 -18.140 -5.396 1.00 32.43 C +ATOM 869 CG PHE A 102 -20.817 -19.229 -6.440 1.00 49.16 C +ATOM 870 CD1 PHE A 102 -21.765 -20.246 -6.530 1.00 57.17 C +ATOM 871 CE1 PHE A 102 -21.644 -21.242 -7.500 1.00 64.20 C +ATOM 872 CZ PHE A 102 -20.559 -21.243 -8.373 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -19.593 -20.250 -8.286 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -19.721 -19.253 -7.325 1.00 70.03 C +ATOM 875 C PHE A 102 -21.959 -17.075 -3.509 1.00 15.16 C +ATOM 876 O PHE A 102 -21.667 -17.509 -2.436 1.00 18.94 O +ATOM 877 N SER A 103 -22.073 -15.771 -3.773 1.00 13.90 N +ATOM 878 CA SER A 103 -21.572 -14.727 -2.891 1.00 11.20 C +ATOM 879 CB SER A 103 -20.309 -14.195 -3.558 1.00 11.98 C +ATOM 880 OG SER A 103 -19.427 -15.276 -3.653 1.00 11.27 O +ATOM 881 C SER A 103 -22.473 -13.525 -2.612 1.00 11.46 C +ATOM 882 O SER A 103 -22.046 -12.573 -1.977 1.00 9.51 O +ATOM 883 N GLY A 104 -23.690 -13.523 -3.166 1.00 10.24 N +ATOM 884 CA GLY A 104 -24.637 -12.451 -2.929 1.00 9.26 C +ATOM 885 C GLY A 104 -24.549 -11.285 -3.911 1.00 9.97 C +ATOM 886 O GLY A 104 -23.775 -11.275 -4.866 1.00 7.26 O +ATOM 887 N PRO A 105 -25.419 -10.276 -3.720 1.00 7.88 N +ATOM 888 CA PRO A 105 -25.678 -9.282 -4.757 1.00 8.48 C +ATOM 889 CB PRO A 105 -27.062 -8.809 -4.339 1.00 8.22 C +ATOM 890 CG PRO A 105 -27.007 -8.885 -2.822 1.00 6.83 C +ATOM 891 CD PRO A 105 -26.293 -10.159 -2.551 1.00 6.35 C +ATOM 892 C PRO A 105 -24.685 -8.063 -4.877 1.00 10.05 C +ATOM 893 O PRO A 105 -24.861 -7.192 -5.734 1.00 10.01 O +ATOM 894 N TRP A 106 -23.694 -7.998 -3.989 1.00 11.69 N +ATOM 895 CA TRP A 106 -22.848 -6.807 -3.829 1.00 11.54 C +ATOM 896 CB TRP A 106 -22.502 -6.595 -2.355 1.00 12.46 C +ATOM 897 CG TRP A 106 -23.715 -6.450 -1.568 1.00 12.18 C +ATOM 898 CD1 TRP A 106 -24.239 -7.363 -0.718 1.00 10.82 C +ATOM 899 NE1 TRP A 106 -25.396 -6.873 -0.152 1.00 11.60 N +ATOM 900 CE2 TRP A 106 -25.684 -5.655 -0.714 1.00 11.11 C +ATOM 901 CD2 TRP A 106 -24.631 -5.353 -1.609 1.00 13.14 C +ATOM 902 CE3 TRP A 106 -24.669 -4.150 -2.305 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 -25.770 -3.290 -2.094 1.00 14.76 C +ATOM 904 CH2 TRP A 106 -26.783 -3.624 -1.182 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 -26.758 -4.800 -0.502 1.00 10.23 C +ATOM 906 C TRP A 106 -21.606 -6.969 -4.635 1.00 10.94 C +ATOM 907 O TRP A 106 -20.495 -7.168 -4.085 1.00 10.11 O +ATOM 908 N PHE A 107 -21.799 -6.916 -5.956 1.00 11.04 N +ATOM 909 CA PHE A 107 -20.731 -7.041 -6.918 1.00 10.70 C +ATOM 910 CB PHE A 107 -20.674 -8.485 -7.421 1.00 13.62 C +ATOM 911 CG PHE A 107 -21.858 -8.897 -8.228 1.00 12.43 C +ATOM 912 CD1 PHE A 107 -22.981 -9.371 -7.610 1.00 14.88 C +ATOM 913 CE1 PHE A 107 -24.085 -9.758 -8.334 1.00 15.39 C +ATOM 914 CZ PHE A 107 -24.073 -9.635 -9.696 1.00 15.58 C +ATOM 915 CE2 PHE A 107 -22.946 -9.171 -10.344 1.00 12.75 C +ATOM 916 CD2 PHE A 107 -21.843 -8.787 -9.601 1.00 14.16 C +ATOM 917 C PHE A 107 -20.976 -6.075 -8.050 1.00 12.33 C +ATOM 918 O PHE A 107 -22.081 -5.532 -8.209 1.00 12.46 O +ATOM 919 N GLY A 108 -19.935 -5.839 -8.848 1.00 9.93 N +ATOM 920 CA GLY A 108 -20.072 -5.014 -10.016 1.00 8.76 C +ATOM 921 C GLY A 108 -18.853 -5.117 -10.877 1.00 9.73 C +ATOM 922 O GLY A 108 -17.823 -5.611 -10.457 1.00 9.84 O +ATOM 923 N GLY A 109 -18.969 -4.614 -12.098 1.00 10.32 N +ATOM 924 CA GLY A 109 -17.840 -4.570 -12.990 1.00 10.57 C +ATOM 925 C GLY A 109 -18.073 -5.267 -14.313 1.00 11.70 C +ATOM 926 O GLY A 109 -18.826 -6.246 -14.402 1.00 11.87 O +ATOM 927 N LEU A 110 -17.362 -4.781 -15.328 1.00 11.04 N +ATOM 928 CA LEU A 110 -17.378 -5.314 -16.673 1.00 14.57 C +ATOM 929 CB LEU A 110 -16.975 -4.182 -17.651 1.00 11.87 C +ATOM 930 CG LEU A 110 -17.367 -4.420 -19.106 1.00 12.86 C +ATOM 931 CD1 LEU A 110 -18.906 -4.481 -19.217 1.00 12.16 C +ATOM 932 CD2 LEU A 110 -16.783 -3.269 -19.930 1.00 12.82 C +ATOM 933 C LEU A 110 -16.566 -6.625 -16.949 1.00 11.01 C +ATOM 934 O LEU A 110 -16.628 -7.196 -18.013 1.00 14.43 O +ATOM 935 N SER A 111 -15.834 -7.123 -15.969 1.00 13.29 N +ATOM 936 CA SER A 111 -14.972 -8.267 -16.183 1.00 10.12 C +ATOM 937 CB SER A 111 -14.054 -8.500 -14.971 1.00 10.55 C +ATOM 938 OG SER A 111 -14.775 -8.858 -13.780 1.00 11.02 O +ATOM 939 C SER A 111 -15.678 -9.568 -16.545 1.00 12.43 C +ATOM 940 O SER A 111 -15.048 -10.443 -17.156 1.00 13.91 O +ATOM 941 N GLY A 112 -16.960 -9.714 -16.178 1.00 12.21 N +ATOM 942 CA GLY A 112 -17.730 -10.883 -16.590 1.00 12.07 C +ATOM 943 C GLY A 112 -17.795 -10.878 -18.101 1.00 11.14 C +ATOM 944 O GLY A 112 -17.527 -11.896 -18.794 1.00 9.44 O +ATOM 945 N VAL A 113 -18.140 -9.697 -18.622 1.00 10.51 N +ATOM 946 CA VAL A 113 -18.237 -9.432 -20.058 1.00 10.87 C +ATOM 947 CB VAL A 113 -18.860 -8.050 -20.347 1.00 8.83 C +ATOM 948 CG1 VAL A 113 -18.840 -7.788 -21.821 1.00 13.82 C +ATOM 949 CG2 VAL A 113 -20.287 -7.963 -19.851 1.00 9.67 C +ATOM 950 C VAL A 113 -16.867 -9.537 -20.717 1.00 9.75 C +ATOM 951 O VAL A 113 -16.721 -10.090 -21.744 1.00 10.43 O +ATOM 952 N VAL A 114 -15.846 -8.969 -20.087 1.00 10.82 N +ATOM 953 CA VAL A 114 -14.518 -9.053 -20.623 1.00 10.51 C +ATOM 954 CB VAL A 114 -13.535 -8.221 -19.807 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -12.119 -8.534 -20.200 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -13.823 -6.761 -20.044 1.00 11.97 C +ATOM 957 C VAL A 114 -14.052 -10.495 -20.745 1.00 10.52 C +ATOM 958 O VAL A 114 -13.441 -10.844 -21.780 1.00 8.61 O +ATOM 959 N TYR A 115 -14.323 -11.316 -19.712 1.00 11.27 N +ATOM 960 CA TYR A 115 -13.934 -12.738 -19.733 1.00 12.70 C +ATOM 961 CB TYR A 115 -14.181 -13.493 -18.402 1.00 13.31 C +ATOM 962 CG TYR A 115 -13.064 -13.355 -17.341 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -12.503 -12.128 -17.051 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -11.532 -11.985 -16.107 1.00 13.42 C +ATOM 965 CZ TYR A 115 -11.107 -13.073 -15.378 1.00 17.17 C +ATOM 966 OH TYR A 115 -10.130 -12.878 -14.406 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -11.649 -14.326 -15.628 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -12.619 -14.460 -16.605 1.00 18.31 C +ATOM 969 C TYR A 115 -14.631 -13.474 -20.896 1.00 13.25 C +ATOM 970 O TYR A 115 -14.008 -14.293 -21.549 1.00 12.92 O +ATOM 971 N ALA A 116 -15.922 -13.181 -21.124 1.00 11.18 N +ATOM 972 CA ALA A 116 -16.682 -13.748 -22.253 1.00 10.79 C +ATOM 973 CB ALA A 116 -18.111 -13.238 -22.199 1.00 11.53 C +ATOM 974 C ALA A 116 -16.016 -13.378 -23.597 1.00 12.39 C +ATOM 975 O ALA A 116 -15.812 -14.227 -24.461 1.00 9.32 O +ATOM 976 N LEU A 117 -15.585 -12.118 -23.726 1.00 11.10 N +ATOM 977 CA LEU A 117 -14.951 -11.675 -24.972 1.00 12.43 C +ATOM 978 CB LEU A 117 -14.736 -10.149 -24.961 1.00 9.99 C +ATOM 979 CG LEU A 117 -16.027 -9.377 -25.081 1.00 12.19 C +ATOM 980 CD1 LEU A 117 -15.724 -7.897 -24.901 1.00 14.38 C +ATOM 981 CD2 LEU A 117 -16.672 -9.641 -26.437 1.00 10.14 C +ATOM 982 C LEU A 117 -13.638 -12.389 -25.214 1.00 10.88 C +ATOM 983 O LEU A 117 -13.328 -12.824 -26.351 1.00 11.53 O +ATOM 984 N MET A 118 -12.851 -12.502 -24.141 1.00 10.42 N +ATOM 985 CA MET A 118 -11.595 -13.206 -24.213 1.00 10.48 C +ATOM 986 CB MET A 118 -10.919 -13.204 -22.869 1.00 13.13 C +ATOM 987 CG MET A 118 -10.235 -11.881 -22.543 1.00 14.60 C +ATOM 988 SD MET A 118 -9.697 -11.993 -20.810 1.00 14.44 S +ATOM 989 CE MET A 118 -8.704 -10.514 -20.701 1.00 20.16 C +ATOM 990 C MET A 118 -11.761 -14.618 -24.698 1.00 9.46 C +ATOM 991 O MET A 118 -11.060 -15.045 -25.640 1.00 8.61 O +ATOM 992 N GLY A 119 -12.676 -15.347 -24.056 1.00 7.77 N +ATOM 993 CA GLY A 119 -12.966 -16.713 -24.453 1.00 11.08 C +ATOM 994 C GLY A 119 -13.568 -16.824 -25.877 1.00 11.34 C +ATOM 995 O GLY A 119 -13.253 -17.739 -26.634 1.00 8.29 O +ATOM 996 N TYR A 120 -14.462 -15.883 -26.208 1.00 11.77 N +ATOM 997 CA TYR A 120 -15.099 -15.824 -27.496 1.00 10.79 C +ATOM 998 CB TYR A 120 -16.149 -14.701 -27.575 1.00 9.35 C +ATOM 999 CG TYR A 120 -16.925 -14.827 -28.862 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 -18.014 -15.699 -28.991 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 -18.697 -15.813 -30.200 1.00 7.07 C +ATOM 1002 CZ TYR A 120 -18.264 -15.068 -31.291 1.00 7.22 C +ATOM 1003 OH TYR A 120 -18.818 -15.100 -32.514 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 -17.185 -14.218 -31.169 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 -16.536 -14.112 -29.972 1.00 8.76 C +ATOM 1006 C TYR A 120 -14.067 -15.673 -28.629 1.00 11.63 C +ATOM 1007 O TYR A 120 -14.038 -16.500 -29.602 1.00 7.78 O +ATOM 1008 N VAL A 121 -13.267 -14.598 -28.531 1.00 12.00 N +ATOM 1009 CA VAL A 121 -12.352 -14.233 -29.617 1.00 9.62 C +ATOM 1010 CB VAL A 121 -11.726 -12.835 -29.453 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -10.634 -12.584 -30.510 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -12.800 -11.761 -29.521 1.00 10.90 C +ATOM 1013 C VAL A 121 -11.298 -15.322 -29.746 1.00 10.36 C +ATOM 1014 O VAL A 121 -10.996 -15.801 -30.855 1.00 9.00 O +ATOM 1015 N TRP A 122 -10.773 -15.769 -28.604 1.00 10.35 N +ATOM 1016 CA TRP A 122 -9.756 -16.802 -28.633 1.00 10.59 C +ATOM 1017 CB TRP A 122 -9.291 -17.164 -27.216 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.260 -18.221 -27.287 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -7.018 -18.096 -27.792 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -6.368 -19.295 -27.736 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -7.208 -20.227 -27.196 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -8.415 -19.585 -26.922 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -9.458 -20.322 -26.367 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -9.251 -21.675 -26.112 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -8.037 -22.296 -26.416 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -7.005 -21.589 -26.948 1.00 14.95 C +ATOM 1027 C TRP A 122 -10.271 -18.098 -29.330 1.00 10.52 C +ATOM 1028 O TRP A 122 -9.642 -18.613 -30.253 1.00 6.62 O +ATOM 1029 N LEU A 123 -11.401 -18.616 -28.832 1.00 9.99 N +ATOM 1030 CA LEU A 123 -11.904 -19.899 -29.265 1.00 12.53 C +ATOM 1031 CB LEU A 123 -13.012 -20.423 -28.334 1.00 12.84 C +ATOM 1032 CG LEU A 123 -13.474 -21.836 -28.784 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -12.319 -22.836 -28.815 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -14.618 -22.355 -27.923 1.00 18.37 C +ATOM 1035 C LEU A 123 -12.394 -19.811 -30.720 1.00 12.42 C +ATOM 1036 O LEU A 123 -12.144 -20.703 -31.511 1.00 9.14 O +ATOM 1037 N ARG A 124 -13.066 -18.704 -31.059 1.00 12.68 N +ATOM 1038 CA ARG A 124 -13.569 -18.511 -32.418 1.00 13.93 C +ATOM 1039 CB ARG A 124 -14.383 -17.228 -32.483 1.00 14.88 C +ATOM 1040 CG ARG A 124 -15.127 -16.966 -33.767 1.00 18.68 C +ATOM 1041 CD ARG A 124 -16.425 -17.754 -33.906 1.00 18.98 C +ATOM 1042 NE ARG A 124 -16.953 -17.666 -35.274 1.00 18.18 N +ATOM 1043 CZ ARG A 124 -17.763 -16.712 -35.744 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 -18.205 -15.718 -34.996 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 -18.163 -16.771 -36.991 1.00 19.04 N +ATOM 1046 C ARG A 124 -12.387 -18.518 -33.388 1.00 11.93 C +ATOM 1047 O ARG A 124 -12.441 -19.155 -34.420 1.00 11.11 O +ATOM 1048 N GLY A 125 -11.317 -17.809 -33.015 1.00 11.83 N +ATOM 1049 CA GLY A 125 -10.048 -17.842 -33.713 1.00 13.33 C +ATOM 1050 C GLY A 125 -9.528 -19.251 -33.909 1.00 12.39 C +ATOM 1051 O GLY A 125 -9.235 -19.650 -35.019 1.00 14.55 O +ATOM 1052 N GLU A 126 -9.444 -20.019 -32.825 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.928 -21.380 -32.903 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.795 -21.999 -31.501 1.00 21.28 C +ATOM 1055 CG GLU A 126 -7.744 -21.326 -30.629 1.00 25.78 C +ATOM 1056 CD GLU A 126 -6.345 -21.288 -31.257 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -5.602 -22.272 -31.113 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -5.976 -20.258 -31.880 1.00 34.29 O +ATOM 1059 C GLU A 126 -9.757 -22.296 -33.811 1.00 22.38 C +ATOM 1060 O GLU A 126 -9.197 -23.086 -34.563 1.00 19.45 O +ATOM 1061 N ARG A 127 -11.091 -22.194 -33.732 1.00 24.01 N +ATOM 1062 CA ARG A 127 -11.986 -23.156 -34.386 1.00 25.28 C +ATOM 1063 CB ARG A 127 -13.231 -23.388 -33.528 1.00 25.96 C +ATOM 1064 CG ARG A 127 -12.970 -24.151 -32.236 1.00 30.58 C +ATOM 1065 CD ARG A 127 -14.247 -24.772 -31.668 1.00 33.46 C +ATOM 1066 NE ARG A 127 -14.721 -25.883 -32.494 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -15.973 -26.073 -32.918 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -16.962 -25.267 -32.566 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -16.248 -27.109 -33.692 1.00 35.07 N +ATOM 1070 C ARG A 127 -12.416 -22.743 -35.790 1.00 25.09 C +ATOM 1071 O ARG A 127 -12.815 -23.564 -36.580 1.00 38.00 O +ATOM 1072 N ASP A 128 -12.329 -21.450 -36.087 1.00 30.78 N +ATOM 1073 CA ASP A 128 -13.007 -20.860 -37.225 1.00 27.85 C +ATOM 1074 CB ASP A 128 -14.399 -20.412 -36.758 1.00 37.74 C +ATOM 1075 CG ASP A 128 -15.303 -19.951 -37.882 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -15.002 -20.198 -39.071 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 -16.343 -19.338 -37.537 1.00 23.64 O +ATOM 1078 C ASP A 128 -12.134 -19.685 -37.650 1.00 29.31 C +ATOM 1079 O ASP A 128 -12.553 -18.530 -37.595 1.00 21.22 O +ATOM 1080 N PRO A 129 -10.867 -19.970 -38.030 1.00 31.44 N +ATOM 1081 CA PRO A 129 -9.928 -18.958 -38.517 1.00 33.06 C +ATOM 1082 CB PRO A 129 -8.972 -19.795 -39.389 1.00 39.26 C +ATOM 1083 CG PRO A 129 -9.029 -21.188 -38.830 1.00 36.32 C +ATOM 1084 CD PRO A 129 -10.254 -21.310 -37.967 1.00 33.88 C +ATOM 1085 C PRO A 129 -10.464 -17.776 -39.345 1.00 26.37 C +ATOM 1086 O PRO A 129 -10.241 -16.636 -38.978 1.00 36.71 O +ATOM 1087 N GLN A 130 -11.126 -18.046 -40.468 1.00 29.64 N +ATOM 1088 CA GLN A 130 -11.389 -16.987 -41.437 1.00 39.65 C +ATOM 1089 CB GLN A 130 -11.025 -17.420 -42.873 1.00 44.02 C +ATOM 1090 CG GLN A 130 -9.710 -18.198 -43.046 1.00 46.53 C +ATOM 1091 CD GLN A 130 -8.468 -17.585 -42.384 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -8.529 -16.625 -41.606 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.320 -18.169 -42.695 1.00 49.29 N +ATOM 1094 C GLN A 130 -12.803 -16.394 -41.366 1.00 40.56 C +ATOM 1095 O GLN A 130 -13.372 -15.991 -42.378 1.00 43.17 O +ATOM 1096 N SER A 131 -13.350 -16.326 -40.149 1.00 36.80 N +ATOM 1097 CA SER A 131 -14.344 -15.316 -39.798 1.00 34.27 C +ATOM 1098 CB SER A 131 -15.177 -15.744 -38.589 1.00 42.18 C +ATOM 1099 OG SER A 131 -14.416 -16.498 -37.658 1.00 46.33 O +ATOM 1100 C SER A 131 -13.600 -14.000 -39.521 1.00 33.35 C +ATOM 1101 O SER A 131 -14.235 -12.954 -39.321 1.00 24.86 O +ATOM 1102 N GLY A 132 -12.254 -14.077 -39.521 1.00 25.71 N +ATOM 1103 CA GLY A 132 -11.366 -12.940 -39.432 1.00 23.70 C +ATOM 1104 C GLY A 132 -11.239 -12.417 -38.009 1.00 30.35 C +ATOM 1105 O GLY A 132 -10.857 -11.264 -37.797 1.00 28.25 O +ATOM 1106 N ILE A 133 -11.572 -13.260 -37.027 1.00 25.82 N +ATOM 1107 CA ILE A 133 -11.446 -12.896 -35.631 1.00 31.87 C +ATOM 1108 CB ILE A 133 -12.849 -12.743 -34.957 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -12.801 -11.670 -33.873 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -13.755 -11.894 -32.709 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -13.388 -14.072 -34.425 1.00 34.59 C +ATOM 1112 C ILE A 133 -10.533 -13.937 -34.951 1.00 32.43 C +ATOM 1113 O ILE A 133 -10.728 -15.152 -35.095 1.00 27.54 O +ATOM 1114 N TYR A 134 -9.509 -13.450 -34.241 1.00 29.47 N +ATOM 1115 CA TYR A 134 -8.621 -14.312 -33.448 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.613 -15.040 -34.350 1.00 25.02 C +ATOM 1117 CG TYR A 134 -6.583 -14.107 -34.925 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -6.905 -13.253 -35.990 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -5.964 -12.382 -36.519 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -4.686 -12.353 -35.977 1.00 37.28 C +ATOM 1121 OH TYR A 134 -3.757 -11.496 -36.505 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -4.340 -13.187 -34.925 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -5.282 -14.058 -34.406 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.893 -13.491 -32.383 1.00 22.78 C +ATOM 1125 O TYR A 134 -7.861 -12.269 -32.433 1.00 15.53 O +ATOM 1126 N LEU A 135 -7.321 -14.186 -31.401 1.00 20.92 N +ATOM 1127 CA LEU A 135 -6.534 -13.553 -30.353 1.00 20.28 C +ATOM 1128 CB LEU A 135 -7.028 -14.004 -28.972 1.00 17.40 C +ATOM 1129 CG LEU A 135 -6.514 -13.174 -27.803 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -6.937 -11.714 -27.899 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -6.991 -13.780 -26.499 1.00 18.34 C +ATOM 1132 C LEU A 135 -5.079 -13.948 -30.614 1.00 19.49 C +ATOM 1133 O LEU A 135 -4.699 -15.108 -30.433 1.00 21.86 O +ATOM 1134 N GLN A 136 -4.276 -12.980 -31.071 1.00 18.05 N +ATOM 1135 CA GLN A 136 -2.855 -13.180 -31.288 1.00 17.10 C +ATOM 1136 CB GLN A 136 -2.180 -11.867 -31.778 1.00 26.31 C +ATOM 1137 CG GLN A 136 -0.952 -12.070 -32.666 1.00 39.12 C +ATOM 1138 CD GLN A 136 -0.347 -10.782 -33.262 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -0.448 -10.549 -34.470 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 0.308 -9.969 -32.432 1.00 44.72 N +ATOM 1141 C GLN A 136 -2.223 -13.730 -29.975 1.00 11.77 C +ATOM 1142 O GLN A 136 -2.556 -13.291 -28.867 1.00 9.83 O +ATOM 1143 N ARG A 137 -1.373 -14.744 -30.132 1.00 9.13 N +ATOM 1144 CA ARG A 137 -0.495 -15.314 -29.111 1.00 9.26 C +ATOM 1145 CB ARG A 137 0.800 -15.704 -29.813 1.00 9.45 C +ATOM 1146 CG ARG A 137 0.732 -17.014 -30.553 1.00 7.99 C +ATOM 1147 CD ARG A 137 2.071 -17.263 -31.200 1.00 8.29 C +ATOM 1148 NE ARG A 137 2.145 -18.649 -31.559 1.00 7.81 N +ATOM 1149 CZ ARG A 137 3.209 -19.239 -32.033 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 4.332 -18.584 -32.246 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 3.140 -20.517 -32.283 1.00 7.93 N +ATOM 1152 C ARG A 137 -0.118 -14.402 -27.957 1.00 9.30 C +ATOM 1153 O ARG A 137 -0.435 -14.651 -26.786 1.00 7.70 O +ATOM 1154 N GLY A 138 0.580 -13.320 -28.306 1.00 10.91 N +ATOM 1155 CA GLY A 138 0.953 -12.307 -27.356 1.00 11.21 C +ATOM 1156 C GLY A 138 -0.191 -11.922 -26.484 1.00 11.70 C +ATOM 1157 O GLY A 138 -0.146 -12.069 -25.278 1.00 13.34 O +ATOM 1158 N LEU A 139 -1.253 -11.407 -27.097 1.00 14.08 N +ATOM 1159 CA LEU A 139 -2.358 -10.968 -26.318 1.00 18.01 C +ATOM 1160 CB LEU A 139 -3.413 -10.202 -27.144 1.00 28.25 C +ATOM 1161 CG LEU A 139 -3.097 -8.723 -27.426 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -2.734 -7.993 -26.140 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -1.984 -8.573 -28.462 1.00 43.14 C +ATOM 1164 C LEU A 139 -2.990 -12.082 -25.544 1.00 12.45 C +ATOM 1165 O LEU A 139 -3.573 -11.814 -24.510 1.00 12.20 O +ATOM 1166 N ILE A 140 -2.946 -13.317 -26.056 1.00 12.62 N +ATOM 1167 CA ILE A 140 -3.577 -14.387 -25.291 1.00 18.00 C +ATOM 1168 CB ILE A 140 -3.993 -15.656 -26.067 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -4.476 -16.800 -25.100 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -5.674 -16.528 -24.162 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -2.887 -16.154 -26.946 1.00 31.26 C +ATOM 1172 C ILE A 140 -2.757 -14.716 -24.071 1.00 14.01 C +ATOM 1173 O ILE A 140 -3.339 -15.009 -23.034 1.00 12.52 O +ATOM 1174 N ILE A 141 -1.424 -14.601 -24.169 1.00 10.25 N +ATOM 1175 CA ILE A 141 -0.623 -14.664 -22.963 1.00 9.31 C +ATOM 1176 CB ILE A 141 0.851 -14.452 -23.248 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 1.394 -15.732 -23.874 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 1.207 -16.942 -22.980 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 1.590 -13.997 -21.975 1.00 8.46 C +ATOM 1180 C ILE A 141 -1.130 -13.647 -21.932 1.00 8.65 C +ATOM 1181 O ILE A 141 -1.367 -13.995 -20.758 1.00 8.01 O +ATOM 1182 N APHE A 142 -1.343 -12.405 -22.369 0.58 7.17 N +ATOM 1183 N BPHE A 142 -1.289 -12.393 -22.378 0.42 7.80 N +ATOM 1184 CA APHE A 142 -1.687 -11.367 -21.429 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -1.711 -11.291 -21.522 0.42 7.36 C +ATOM 1186 CB APHE A 142 -1.398 -9.987 -22.018 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -1.756 -9.979 -22.323 0.42 7.67 C +ATOM 1188 CG APHE A 142 0.062 -9.756 -22.301 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -2.011 -8.737 -21.490 0.42 8.19 C +ATOM 1190 CD1APHE A 142 0.992 -9.689 -21.258 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -2.302 -8.820 -20.136 0.42 7.81 C +ATOM 1192 CE1APHE A 142 2.325 -9.484 -21.517 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -2.533 -7.674 -19.392 0.42 7.89 C +ATOM 1194 CZ APHE A 142 2.756 -9.369 -22.811 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -2.503 -6.434 -20.005 0.42 7.97 C +ATOM 1196 CE2APHE A 142 1.872 -9.432 -23.855 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -2.242 -6.331 -21.359 0.42 7.76 C +ATOM 1198 CD2APHE A 142 0.539 -9.640 -23.610 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -1.995 -7.471 -22.090 0.42 8.58 C +ATOM 1200 C APHE A 142 -3.108 -11.565 -20.914 0.58 7.08 C +ATOM 1201 C BPHE A 142 -3.067 -11.628 -20.917 0.42 7.58 C +ATOM 1202 O APHE A 142 -3.420 -11.250 -19.736 0.58 6.64 O +ATOM 1203 O BPHE A 142 -3.291 -11.449 -19.698 0.42 7.63 O +ATOM 1204 N ALA A 143 -3.977 -12.135 -21.761 1.00 7.18 N +ATOM 1205 CA ALA A 143 -5.318 -12.461 -21.313 1.00 7.45 C +ATOM 1206 CB ALA A 143 -6.216 -12.928 -22.456 1.00 8.30 C +ATOM 1207 C ALA A 143 -5.228 -13.538 -20.247 1.00 8.58 C +ATOM 1208 O ALA A 143 -5.854 -13.469 -19.172 1.00 8.72 O +ATOM 1209 N LEU A 144 -4.415 -14.544 -20.548 1.00 8.93 N +ATOM 1210 CA LEU A 144 -4.227 -15.637 -19.654 1.00 10.41 C +ATOM 1211 CB LEU A 144 -3.434 -16.694 -20.373 1.00 9.30 C +ATOM 1212 CG LEU A 144 -3.244 -17.993 -19.619 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -4.554 -18.693 -19.277 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -2.320 -18.886 -20.458 1.00 12.97 C +ATOM 1215 C LEU A 144 -3.642 -15.190 -18.254 1.00 10.09 C +ATOM 1216 O LEU A 144 -4.113 -15.624 -17.197 1.00 9.09 O +ATOM 1217 N ILE A 145 -2.651 -14.296 -18.264 1.00 9.56 N +ATOM 1218 CA ILE A 145 -2.120 -13.727 -17.030 1.00 9.18 C +ATOM 1219 CB ILE A 145 -0.899 -12.811 -17.336 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 0.327 -13.638 -17.742 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 1.454 -12.817 -18.303 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -0.486 -11.987 -16.141 1.00 9.74 C +ATOM 1223 C ILE A 145 -3.228 -12.977 -16.242 1.00 10.93 C +ATOM 1224 O ILE A 145 -3.312 -13.092 -15.021 1.00 9.25 O +ATOM 1225 N TRP A 146 -4.065 -12.209 -16.954 1.00 12.33 N +ATOM 1226 CA TRP A 146 -5.165 -11.463 -16.341 1.00 15.03 C +ATOM 1227 CB TRP A 146 -5.926 -10.645 -17.405 1.00 16.66 C +ATOM 1228 CG TRP A 146 -6.656 -9.479 -16.799 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.021 -9.261 -16.742 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -8.269 -8.080 -16.061 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -7.069 -7.536 -15.674 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -6.043 -8.385 -16.126 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -4.705 -8.038 -15.866 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -4.440 -6.866 -15.164 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -5.488 -6.042 -14.737 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -6.803 -6.364 -14.977 1.00 32.56 C +ATOM 1237 C TRP A 146 -6.123 -12.422 -15.606 1.00 13.29 C +ATOM 1238 O TRP A 146 -6.528 -12.190 -14.466 1.00 11.57 O +ATOM 1239 N ILE A 147 -6.422 -13.539 -16.260 1.00 12.37 N +ATOM 1240 CA ILE A 147 -7.304 -14.563 -15.705 1.00 13.81 C +ATOM 1241 CB ILE A 147 -7.634 -15.622 -16.786 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -8.498 -15.007 -17.903 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -8.600 -15.904 -19.118 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -8.363 -16.803 -16.192 1.00 13.86 C +ATOM 1245 C ILE A 147 -6.669 -15.201 -14.471 1.00 11.85 C +ATOM 1246 O ILE A 147 -7.312 -15.395 -13.473 1.00 11.58 O +ATOM 1247 N VAL A 148 -5.375 -15.519 -14.553 1.00 13.87 N +ATOM 1248 CA VAL A 148 -4.644 -16.047 -13.408 1.00 12.37 C +ATOM 1249 CB VAL A 148 -3.196 -16.394 -13.783 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -2.410 -16.828 -12.555 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -3.177 -17.526 -14.817 1.00 14.45 C +ATOM 1252 C VAL A 148 -4.671 -15.060 -12.224 1.00 12.18 C +ATOM 1253 O VAL A 148 -4.814 -15.468 -11.067 1.00 10.26 O +ATOM 1254 N ALA A 149 -4.504 -13.764 -12.515 1.00 12.37 N +ATOM 1255 CA ALA A 149 -4.485 -12.731 -11.482 1.00 13.92 C +ATOM 1256 CB ALA A 149 -4.332 -11.358 -12.103 1.00 12.52 C +ATOM 1257 C ALA A 149 -5.803 -12.783 -10.692 1.00 19.91 C +ATOM 1258 O ALA A 149 -5.806 -12.798 -9.442 1.00 18.95 O +ATOM 1259 N GLY A 150 -6.904 -12.810 -11.450 1.00 15.29 N +ATOM 1260 CA GLY A 150 -8.256 -12.875 -10.905 1.00 21.90 C +ATOM 1261 C GLY A 150 -8.462 -14.137 -10.087 1.00 21.19 C +ATOM 1262 O GLY A 150 -8.948 -14.061 -8.953 1.00 20.08 O +ATOM 1263 N TRP A 151 -8.021 -15.281 -10.620 1.00 14.25 N +ATOM 1264 CA TRP A 151 -8.285 -16.548 -9.971 1.00 16.10 C +ATOM 1265 CB TRP A 151 -7.849 -17.741 -10.846 1.00 21.32 C +ATOM 1266 CG TRP A 151 -8.320 -19.007 -10.245 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -7.578 -19.968 -9.604 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -8.394 -20.970 -9.142 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -9.698 -20.649 -9.435 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -9.687 -19.411 -10.128 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -10.910 -18.852 -10.556 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -12.084 -19.528 -10.276 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -12.068 -20.764 -9.582 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -10.892 -21.337 -9.155 1.00 47.28 C +ATOM 1275 C TRP A 151 -7.602 -16.632 -8.587 1.00 16.03 C +ATOM 1276 O TRP A 151 -8.180 -17.050 -7.605 1.00 20.42 O +ATOM 1277 N PHE A 152 -6.337 -16.236 -8.530 1.00 13.13 N +ATOM 1278 CA PHE A 152 -5.568 -16.298 -7.331 1.00 9.38 C +ATOM 1279 CB PHE A 152 -4.131 -16.685 -7.684 1.00 8.08 C +ATOM 1280 CG PHE A 152 -3.997 -18.078 -8.166 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -3.984 -19.115 -7.276 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -3.852 -20.424 -7.715 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -3.762 -20.691 -9.073 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -3.811 -19.642 -9.976 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -3.918 -18.345 -9.514 1.00 6.21 C +ATOM 1286 C PHE A 152 -5.635 -14.979 -6.574 1.00 9.61 C +ATOM 1287 O PHE A 152 -4.940 -14.804 -5.640 1.00 10.68 O +ATOM 1288 N ASP A 153 -6.525 -14.074 -6.975 1.00 15.13 N +ATOM 1289 CA ASP A 153 -6.747 -12.808 -6.286 1.00 18.45 C +ATOM 1290 CB ASP A 153 -7.506 -12.931 -4.933 1.00 27.46 C +ATOM 1291 CG ASP A 153 -8.097 -11.538 -4.468 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -8.341 -10.676 -5.365 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -8.270 -11.283 -3.243 1.00 24.69 O +ATOM 1294 C ASP A 153 -5.471 -12.050 -6.061 1.00 15.88 C +ATOM 1295 O ASP A 153 -5.151 -11.663 -4.951 1.00 13.39 O +ATOM 1296 N LEU A 154 -4.760 -11.785 -7.155 1.00 15.14 N +ATOM 1297 CA LEU A 154 -3.514 -11.056 -7.073 1.00 16.65 C +ATOM 1298 CB LEU A 154 -2.612 -11.488 -8.238 1.00 12.61 C +ATOM 1299 CG LEU A 154 -2.263 -12.991 -8.228 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -1.329 -13.348 -9.400 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -1.650 -13.412 -6.917 1.00 8.03 C +ATOM 1302 C LEU A 154 -3.761 -9.533 -6.979 1.00 17.35 C +ATOM 1303 O LEU A 154 -2.843 -8.766 -6.906 1.00 22.93 O +ATOM 1304 N PHE A 155 -5.027 -9.135 -6.885 1.00 24.98 N +ATOM 1305 CA PHE A 155 -5.470 -7.740 -6.884 1.00 33.79 C +ATOM 1306 CB PHE A 155 -6.689 -7.627 -7.772 1.00 27.67 C +ATOM 1307 CG PHE A 155 -6.377 -7.767 -9.235 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -5.379 -6.989 -9.829 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -5.117 -7.087 -11.181 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -5.853 -7.959 -11.966 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -6.850 -8.742 -11.391 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -7.114 -8.641 -10.031 1.00 34.21 C +ATOM 1313 C PHE A 155 -5.867 -7.217 -5.521 1.00 37.83 C +ATOM 1314 O PHE A 155 -5.827 -7.962 -4.538 1.00 28.41 O +ATOM 1315 N GLY A 156 -6.246 -5.927 -5.491 1.00 38.40 N +ATOM 1316 CA GLY A 156 -6.743 -5.242 -4.312 1.00 35.24 C +ATOM 1317 C GLY A 156 -7.885 -5.944 -3.584 1.00 26.60 C +ATOM 1318 O GLY A 156 -7.692 -6.539 -2.549 1.00 47.21 O +ATOM 1319 N MET A 157 -9.090 -5.860 -4.128 1.00 24.95 N +ATOM 1320 CA MET A 157 -10.263 -6.349 -3.437 1.00 28.59 C +ATOM 1321 CB MET A 157 -11.453 -5.410 -3.658 1.00 39.60 C +ATOM 1322 CG MET A 157 -12.231 -5.493 -4.980 1.00 47.28 C +ATOM 1323 SD MET A 157 -13.973 -4.938 -4.761 1.00 49.14 S +ATOM 1324 CE MET A 157 -13.735 -3.291 -4.057 1.00 47.84 C +ATOM 1325 C MET A 157 -10.567 -7.774 -3.852 1.00 26.25 C +ATOM 1326 O MET A 157 -9.877 -8.309 -4.675 1.00 24.50 O +ATOM 1327 N SER A 158 -11.611 -8.377 -3.270 1.00 24.79 N +ATOM 1328 CA SER A 158 -12.082 -9.692 -3.678 1.00 25.23 C +ATOM 1329 CB SER A 158 -13.214 -10.140 -2.787 1.00 32.87 C +ATOM 1330 OG SER A 158 -12.793 -10.084 -1.468 1.00 32.23 O +ATOM 1331 C SER A 158 -12.558 -9.746 -5.137 1.00 23.56 C +ATOM 1332 O SER A 158 -13.095 -8.784 -5.698 1.00 17.24 O +ATOM 1333 N MET A 159 -12.343 -10.901 -5.756 1.00 22.08 N +ATOM 1334 CA MET A 159 -12.718 -11.084 -7.133 1.00 24.12 C +ATOM 1335 CB MET A 159 -11.666 -11.937 -7.868 1.00 30.07 C +ATOM 1336 CG MET A 159 -10.327 -11.232 -8.061 1.00 25.31 C +ATOM 1337 SD MET A 159 -10.370 -9.941 -9.302 1.00 33.07 S +ATOM 1338 CE MET A 159 -10.441 -8.513 -8.200 1.00 33.31 C +ATOM 1339 C MET A 159 -14.078 -11.753 -7.142 1.00 18.37 C +ATOM 1340 O MET A 159 -14.401 -12.579 -6.280 1.00 14.74 O +ATOM 1341 N ALA A 160 -14.892 -11.390 -8.128 1.00 17.85 N +ATOM 1342 CA ALA A 160 -16.168 -12.063 -8.337 1.00 14.05 C +ATOM 1343 CB ALA A 160 -17.110 -11.125 -9.115 1.00 15.78 C +ATOM 1344 C ALA A 160 -15.809 -13.324 -9.119 1.00 12.19 C +ATOM 1345 O ALA A 160 -15.754 -13.298 -10.337 1.00 12.07 O +ATOM 1346 N ASN A 161 -15.521 -14.414 -8.398 1.00 13.53 N +ATOM 1347 CA ASN A 161 -15.058 -15.658 -9.016 1.00 19.51 C +ATOM 1348 CB ASN A 161 -14.528 -16.665 -8.008 1.00 17.89 C +ATOM 1349 CG ASN A 161 -13.295 -16.164 -7.275 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -13.261 -16.174 -6.051 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -12.284 -15.727 -8.010 1.00 23.40 N +ATOM 1352 C ASN A 161 -16.148 -16.328 -9.836 1.00 17.15 C +ATOM 1353 O ASN A 161 -15.869 -16.893 -10.893 1.00 12.86 O +ATOM 1354 N GLY A 162 -17.392 -16.188 -9.377 1.00 13.45 N +ATOM 1355 CA GLY A 162 -18.525 -16.754 -10.078 1.00 13.72 C +ATOM 1356 C GLY A 162 -18.781 -16.015 -11.358 1.00 11.46 C +ATOM 1357 O GLY A 162 -18.979 -16.632 -12.372 1.00 13.83 O +ATOM 1358 N ALA A 163 -18.791 -14.680 -11.304 1.00 12.52 N +ATOM 1359 CA ALA A 163 -18.925 -13.882 -12.512 1.00 12.63 C +ATOM 1360 CB ALA A 163 -18.895 -12.381 -12.225 1.00 14.33 C +ATOM 1361 C ALA A 163 -17.818 -14.238 -13.510 1.00 15.22 C +ATOM 1362 O ALA A 163 -18.060 -14.217 -14.715 1.00 15.81 O +ATOM 1363 N HIS A 164 -16.588 -14.476 -13.023 1.00 16.26 N +ATOM 1364 CA HIS A 164 -15.468 -14.737 -13.942 1.00 13.79 C +ATOM 1365 CB HIS A 164 -14.120 -14.688 -13.243 1.00 13.42 C +ATOM 1366 CG HIS A 164 -13.655 -13.301 -12.946 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -12.754 -13.016 -11.946 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -12.510 -11.720 -11.927 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -13.262 -11.142 -12.844 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -13.988 -12.112 -13.497 1.00 16.05 C +ATOM 1371 C HIS A 164 -15.638 -16.055 -14.678 1.00 15.17 C +ATOM 1372 O HIS A 164 -15.452 -16.110 -15.904 1.00 9.69 O +ATOM 1373 N ILE A 165 -15.983 -17.106 -13.918 1.00 14.29 N +ATOM 1374 CA ILE A 165 -16.095 -18.444 -14.444 1.00 16.34 C +ATOM 1375 CB ILE A 165 -16.367 -19.507 -13.357 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -15.286 -19.530 -12.295 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -15.763 -20.142 -10.977 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -16.426 -20.898 -13.977 1.00 25.23 C +ATOM 1379 C ILE A 165 -17.276 -18.459 -15.421 1.00 13.49 C +ATOM 1380 O ILE A 165 -17.173 -18.978 -16.511 1.00 14.19 O +ATOM 1381 N ALA A 166 -18.401 -17.872 -15.012 1.00 11.61 N +ATOM 1382 CA ALA A 166 -19.587 -17.847 -15.836 1.00 12.97 C +ATOM 1383 CB ALA A 166 -20.725 -17.302 -15.030 1.00 13.37 C +ATOM 1384 C ALA A 166 -19.393 -17.069 -17.182 1.00 12.77 C +ATOM 1385 O ALA A 166 -19.821 -17.522 -18.243 1.00 16.05 O +ATOM 1386 N GLY A 167 -18.704 -15.935 -17.124 1.00 11.83 N +ATOM 1387 CA GLY A 167 -18.468 -15.080 -18.274 1.00 12.25 C +ATOM 1388 C GLY A 167 -17.572 -15.815 -19.252 1.00 16.57 C +ATOM 1389 O GLY A 167 -17.886 -15.913 -20.432 1.00 15.94 O +ATOM 1390 N LEU A 168 -16.481 -16.396 -18.740 1.00 16.37 N +ATOM 1391 CA LEU A 168 -15.550 -17.161 -19.584 1.00 18.66 C +ATOM 1392 CB LEU A 168 -14.395 -17.743 -18.762 1.00 16.91 C +ATOM 1393 CG LEU A 168 -13.295 -18.532 -19.496 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -12.674 -17.710 -20.624 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -12.235 -18.914 -18.477 1.00 18.17 C +ATOM 1396 C LEU A 168 -16.306 -18.303 -20.287 1.00 17.50 C +ATOM 1397 O LEU A 168 -16.173 -18.465 -21.486 1.00 15.54 O +ATOM 1398 N ALA A 169 -17.095 -19.065 -19.514 1.00 15.54 N +ATOM 1399 CA ALA A 169 -17.919 -20.149 -20.029 1.00 19.82 C +ATOM 1400 CB ALA A 169 -18.741 -20.769 -18.908 1.00 20.15 C +ATOM 1401 C ALA A 169 -18.851 -19.703 -21.155 1.00 17.04 C +ATOM 1402 O ALA A 169 -18.967 -20.373 -22.157 1.00 18.40 O +ATOM 1403 N VAL A 170 -19.549 -18.585 -20.943 1.00 16.33 N +ATOM 1404 CA VAL A 170 -20.476 -18.047 -21.933 1.00 15.30 C +ATOM 1405 CB VAL A 170 -21.156 -16.777 -21.399 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 -21.754 -15.942 -22.516 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 -22.234 -17.140 -20.438 1.00 17.75 C +ATOM 1408 C VAL A 170 -19.749 -17.738 -23.264 1.00 12.50 C +ATOM 1409 O VAL A 170 -20.235 -18.076 -24.332 1.00 15.58 O +ATOM 1410 N GLY A 171 -18.588 -17.095 -23.165 1.00 12.65 N +ATOM 1411 CA GLY A 171 -17.770 -16.739 -24.302 1.00 12.55 C +ATOM 1412 C GLY A 171 -17.355 -17.965 -25.110 1.00 12.05 C +ATOM 1413 O GLY A 171 -17.502 -18.021 -26.329 1.00 10.67 O +ATOM 1414 N LEU A 172 -16.791 -18.948 -24.411 1.00 12.60 N +ATOM 1415 CA LEU A 172 -16.343 -20.188 -25.033 1.00 10.75 C +ATOM 1416 CB LEU A 172 -15.728 -21.126 -24.001 1.00 10.43 C +ATOM 1417 CG LEU A 172 -14.402 -20.604 -23.405 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -13.891 -21.583 -22.350 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -13.297 -20.267 -24.398 1.00 9.57 C +ATOM 1420 C LEU A 172 -17.500 -20.878 -25.753 1.00 10.15 C +ATOM 1421 O LEU A 172 -17.354 -21.344 -26.876 1.00 11.39 O +ATOM 1422 N ALA A 173 -18.661 -20.902 -25.100 1.00 11.33 N +ATOM 1423 CA ALA A 173 -19.839 -21.608 -25.573 1.00 11.38 C +ATOM 1424 CB ALA A 173 -20.878 -21.715 -24.445 1.00 11.60 C +ATOM 1425 C ALA A 173 -20.454 -20.953 -26.806 1.00 10.08 C +ATOM 1426 O ALA A 173 -20.920 -21.632 -27.696 1.00 6.75 O +ATOM 1427 N MET A 174 -20.518 -19.618 -26.803 1.00 11.63 N +ATOM 1428 CA MET A 174 -20.998 -18.894 -27.960 1.00 11.25 C +ATOM 1429 CB MET A 174 -21.244 -17.431 -27.629 1.00 12.02 C +ATOM 1430 CG MET A 174 -22.491 -17.213 -26.769 1.00 15.32 C +ATOM 1431 SD MET A 174 -22.652 -15.460 -26.317 1.00 15.04 S +ATOM 1432 CE MET A 174 -23.567 -14.852 -27.762 1.00 12.84 C +ATOM 1433 C MET A 174 -20.051 -19.042 -29.156 1.00 11.07 C +ATOM 1434 O MET A 174 -20.509 -19.108 -30.327 1.00 9.35 O +ATOM 1435 N ALA A 175 -18.741 -19.094 -28.864 1.00 11.79 N +ATOM 1436 CA ALA A 175 -17.715 -19.291 -29.891 1.00 11.52 C +ATOM 1437 CB ALA A 175 -16.307 -19.138 -29.304 1.00 12.52 C +ATOM 1438 C ALA A 175 -17.893 -20.652 -30.563 1.00 10.15 C +ATOM 1439 O ALA A 175 -17.836 -20.754 -31.767 1.00 9.36 O +ATOM 1440 N PHE A 176 -18.119 -21.676 -29.737 1.00 10.78 N +ATOM 1441 CA PHE A 176 -18.413 -23.045 -30.134 1.00 11.72 C +ATOM 1442 CB PHE A 176 -18.642 -23.920 -28.884 1.00 14.22 C +ATOM 1443 CG PHE A 176 -18.909 -25.340 -29.204 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -17.870 -26.236 -29.315 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -18.116 -27.543 -29.660 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -19.408 -27.968 -29.904 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 -20.453 -27.086 -29.800 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 -20.200 -25.775 -29.451 1.00 23.15 C +ATOM 1449 C PHE A 176 -19.637 -23.109 -31.031 1.00 11.73 C +ATOM 1450 O PHE A 176 -19.594 -23.676 -32.137 1.00 11.14 O +ATOM 1451 N VAL A 177 -20.732 -22.514 -30.553 1.00 10.67 N +ATOM 1452 CA VAL A 177 -21.972 -22.474 -31.299 1.00 11.71 C +ATOM 1453 CB VAL A 177 -23.124 -21.816 -30.475 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 -24.351 -21.503 -31.364 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 -23.500 -22.709 -29.270 1.00 16.83 C +ATOM 1456 C VAL A 177 -21.757 -21.749 -32.628 1.00 8.91 C +ATOM 1457 O VAL A 177 -22.110 -22.269 -33.632 1.00 6.73 O +ATOM 1458 N ASP A 178 -21.140 -20.562 -32.602 1.00 9.91 N +ATOM 1459 CA ASP A 178 -20.860 -19.807 -33.830 1.00 10.55 C +ATOM 1460 CB ASP A 178 -20.314 -18.443 -33.541 1.00 9.42 C +ATOM 1461 CG ASP A 178 -21.311 -17.551 -32.848 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 -22.482 -17.969 -32.724 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 -20.942 -16.404 -32.443 1.00 9.20 O +ATOM 1464 C ASP A 178 -19.914 -20.516 -34.810 1.00 11.79 C +ATOM 1465 O ASP A 178 -19.980 -20.263 -36.008 1.00 11.79 O +ATOM 1466 N SER A 179 -19.083 -21.427 -34.293 1.00 15.85 N +ATOM 1467 CA SER A 179 -18.131 -22.198 -35.089 1.00 17.77 C +ATOM 1468 CB SER A 179 -17.040 -22.742 -34.190 1.00 18.19 C +ATOM 1469 OG SER A 179 -16.232 -21.704 -33.711 1.00 25.24 O +ATOM 1470 C SER A 179 -18.751 -23.394 -35.791 1.00 25.25 C +ATOM 1471 O SER A 179 -18.105 -24.032 -36.648 1.00 25.62 O +ATOM 1472 N LEU A 180 -19.975 -23.760 -35.399 1.00 26.63 N +ATOM 1473 CA LEU A 180 -20.624 -24.883 -36.046 1.00 29.49 C +ATOM 1474 CB LEU A 180 -21.762 -25.421 -35.188 1.00 27.08 C +ATOM 1475 CG LEU A 180 -21.310 -26.146 -33.923 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 -22.537 -26.576 -33.144 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 -20.447 -27.352 -34.239 1.00 25.61 C +ATOM 1478 C LEU A 180 -21.059 -24.472 -37.466 1.00 36.61 C +ATOM 1479 O LEU A 180 -20.985 -25.292 -38.408 1.00 32.04 O +ATOM 1480 N ASN A 181 -21.451 -23.195 -37.611 1.00 38.78 N +ATOM 1481 CA ASN A 181 -21.787 -22.589 -38.906 1.00 54.97 C +ATOM 1482 CB ASN A 181 -22.483 -21.225 -38.728 1.00 67.37 C +ATOM 1483 CG ASN A 181 -23.631 -21.253 -37.711 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 -24.784 -21.543 -38.050 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 -23.319 -20.910 -36.463 1.00 60.66 N +ATOM 1486 C ASN A 181 -20.538 -22.395 -39.803 1.00 76.54 C +ATOM 1487 O ASN A 181 -19.536 -21.785 -39.371 1.00 63.45 O +ATOM 1488 N ALA A 182 -20.624 -22.914 -41.042 1.00 63.44 N +ATOM 1489 CA ALA A 182 -19.555 -22.886 -42.054 1.00 54.25 C +ATOM 1490 CB ALA A 182 -19.493 -21.529 -42.745 1.00 52.80 C +ATOM 1491 C ALA A 182 -18.185 -23.263 -41.489 1.00 57.61 C +ATOM 1492 O ALA A 182 -18.081 -24.122 -40.612 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/args.info b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/args.info new file mode 100644 index 0000000..95e3ebb --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/args.info @@ -0,0 +1,43 @@ +{ + "STRUC_FILE": "/data/test/mp-pipeline/input/6xro_final_renum.pdb", + "OUTPUT_FILE": "", + "MODE": "create", + "MUT_MODE": "mut_file", + "MUTATION_INPUT": "/data/test/mp-pipeline/input/mut_files", + "CHAIN": "A", + "RUN_STRUC": null, + "LIGAND": null, + "OVERWRITE_PATH": true, + "SLURM_PARTITION": "sbinlab", + "GAPS_OUTPUT": false, + "DUMP_PDB": 0, + "DO_CHECKING": true, + "NO_ZIP": false, + "ZIP_FILES": true, + "VERBOSE": false, + "IS_MP": true, + "MP_SPAN_INPUT": null, + "MP_CALC_SPAN_MODE": "deepTMHMM", + "MP_ALIGN_REF": "-", + "MP_ALIGN_MODE": "span", + "SUPERPOSE_ONTM": true, + "DDG_FLAG_FILE": "/data/sp/cartesian_ddg_flagfile", + "RELAX_FLAG_FILE": "/data/sp/relax_flagfile", + "RELAX_XML_INPUT": "/data/mp/mp_cart_relax.xml", + "UNIPROT_ID": "", + "SCALE_FACTOR": 1, + "MP_THICKNESS": 15, + "MP_LIPIDS": "DLPC", + "MP_TEMPERATURE": 20.0, + "MP_PH": -1.0, + "BENCH_MP_REPACK": 8.0, + "BENCH_MP_REPEAT": 5, + "BENCH_MP_RELAX_REPEAT": 5, + "BENCH_MP_RELAX_STRUCS": 20, + "MP_IGNORE_RELAX_MP_FLAGS": false, + "MP_ENERGY_FUNC": "franklin2019", + "MP_ENERGY_FUNC_WEIGHTS": "/data/mp/f19_cart_1.5.wts", + "MP_REPACK_PROTOCOL": "MP_flex_relax_ddG", + "MP_MULTISTRUC_PROTOCOL": 0, + "MP_CART_DDG": 1 +} \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/cartesian_ddg_flagfile b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/cartesian_ddg_flagfile new file mode 100644 index 0000000..58ba842 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/cartesian_ddg_flagfile @@ -0,0 +1,12 @@ +-fa_max_dis 9.0 +-ddg::dump_pdbs false +-ddg:iterations 3 +-score:weights beta_nov16_cart +-missing_density_to_jump +-ddg:mut_only +-ddg:bbnbrs 1 +-beta_cart +-ex1 +-ex2 +-ddg::legacy true +-optimize_proline true diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/inputs.info b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/inputs.info new file mode 100644 index 0000000..0d36413 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/inputs.info @@ -0,0 +1,5 @@ +NAME = 6xro_final_renum +CHAIN = A +STRUCTURE = /data/test/mp-pipeline/input/6xro_final_renum.pdb +OUTPATH = + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile00010 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile00010 new file mode 100644 index 0000000..b7d9959 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile00010 @@ -0,0 +1,5 @@ +total 2 +1 +M 10 M +1 +M 10 A diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile00100 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile00100 new file mode 100644 index 0000000..03599dc --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile00100 @@ -0,0 +1,5 @@ +total 2 +1 +Q 100 Q +1 +Q 100 A diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile111_164 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile111_164 new file mode 100644 index 0000000..b61425b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/mutations/mutfile111_164 @@ -0,0 +1,7 @@ +total 4 +2 +S 111 S +H 164 H +2 +S 111 A +H 164 A diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/relax.xml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/relax.xml new file mode 100644 index 0000000..5adf582 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/relax.xml @@ -0,0 +1,34 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/relax_flagfile b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/relax_flagfile new file mode 100644 index 0000000..e8f076d --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/input/relax_flagfile @@ -0,0 +1,16 @@ +-fa_max_dis 9 +-relax:constrain_relax_to_start_coords +-ignore_unrecognized_res +-missing_density_to_jump +-nstruct 1 +-relax:coord_constrain_sidechains +-relax:cartesian +-beta +-score:weights beta_nov16_cart +-ex1 +-ex2 +-relax:min_type lbfgs_armijo_nonmonotone +-out:suffix _bn15_calibrated +-flip_HNQ +-no_optH false +-fa_max_dis 9.0 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/alignment.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/alignment.txt new file mode 100644 index 0000000..ca76770 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/alignment.txt @@ -0,0 +1,10 @@ +>6xro_final_renum_structure_sequence +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMH +ILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGY +VWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSL +NA +>6xro_final_renum_uniprot_sequence +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMH +ILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGY +VWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSL +NA diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/fasta_file.fasta b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/fasta_file.fasta new file mode 100644 index 0000000..c32ac7b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/fasta_file.fasta @@ -0,0 +1,4 @@ +>6xro_final_renum_structure_sequence 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177, +"178;A": 178, +"179;A": 179, +"180;A": 180, +"181;A": 181, +"182;A": 182 +}, +"strucdata": { +"A": [ +"ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA", +"", +"ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA" +] +}, +"DBREF": {}, +"alignment": { +"A": [] +} +} \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/uniprot_index_list.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/uniprot_index_list.txt new file mode 100644 index 0000000..56a6ee4 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/checking/uniprot_index_list.txt @@ -0,0 +1,182 @@ +1 +2 +3 +4 +5 +6 +7 +8 +9 +10 +11 +12 +13 +14 +15 +16 +17 +18 +19 +20 +21 +22 +23 +24 +25 +26 +27 +28 +29 +30 +31 +32 +33 +34 +35 +36 +37 +38 +39 +40 +41 +42 +43 +44 +45 +46 +47 +48 +49 +50 +51 +52 +53 +54 +55 +56 +57 +58 +59 +60 +61 +62 +63 +64 +65 +66 +67 +68 +69 +70 +71 +72 +73 +74 +75 +76 +77 +78 +79 +80 +81 +82 +83 +84 +85 +86 +87 +88 +89 +90 +91 +92 +93 +94 +95 +96 +97 +98 +99 +100 +101 +102 +103 +104 +105 +106 +107 +108 +109 +110 +111 +112 +113 +114 +115 +116 +117 +118 +119 +120 +121 +122 +123 +124 +125 +126 +127 +128 +129 +130 +131 +132 +133 +134 +135 +136 +137 +138 +139 +140 +141 +142 +143 +144 +145 +146 +147 +148 +149 +150 +151 +152 +153 +154 +155 +156 +157 +158 +159 +160 +161 +162 +163 +164 +165 +166 +167 +168 +169 +170 +171 +172 +173 +174 +175 +176 +177 +178 +179 +180 +181 +182 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/backup.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/backup.pdb new file mode 100644 index 0000000..ce38f3a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/backup.pdb @@ -0,0 +1,1452 @@ +ATOM 1 N GLU A 1 -11.028 5.746 -37.310 1.00 43.35 N +ATOM 2 CA GLU A 1 -11.660 5.231 -36.061 1.00 55.59 C +ATOM 3 CB GLU A 1 -13.172 5.420 -36.133 1.00 53.53 C +ATOM 4 CG GLU A 1 -13.853 5.660 -34.801 1.00 34.05 C +ATOM 5 CD GLU A 1 -15.306 5.943 -35.034 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -16.062 4.963 -35.143 1.00 53.50 O +ATOM 7 OE2 GLU A 1 -15.691 7.128 -35.157 1.00 36.54 O +ATOM 8 C GLU A 1 -11.305 3.763 -35.795 1.00 46.53 C +ATOM 9 O GLU A 1 -10.191 3.336 -36.122 1.00 50.24 O +ATOM 10 N ARG A 2 -12.259 3.014 -35.221 1.00 38.93 N +ATOM 11 CA ARG A 2 -12.030 1.706 -34.590 1.00 54.74 C +ATOM 12 CB ARG A 2 -10.826 1.774 -33.603 1.00 50.45 C +ATOM 13 CG ARG A 2 -10.786 0.769 -32.445 1.00 57.12 C +ATOM 14 CD ARG A 2 -9.796 -0.375 -32.638 1.00 57.44 C +ATOM 15 NE ARG A 2 -10.273 -1.652 -32.072 1.00 52.68 N +ATOM 16 CZ ARG A 2 -9.692 -2.835 -32.301 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -8.591 -2.930 -33.062 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -10.191 -3.936 -31.764 1.00 28.66 N +ATOM 19 C ARG A 2 -13.339 1.255 -33.902 1.00 66.99 C +ATOM 20 O ARG A 2 -13.984 0.312 -34.361 1.00 85.13 O +ATOM 21 N ALA A 3 -13.720 1.949 -32.818 1.00 43.05 N +ATOM 22 CA ALA A 3 -14.920 1.643 -32.019 1.00 41.35 C +ATOM 23 CB ALA A 3 -14.865 2.391 -30.663 1.00 34.83 C +ATOM 24 C ALA A 3 -16.260 1.980 -32.735 1.00 29.58 C +ATOM 25 O ALA A 3 -16.581 3.165 -32.922 1.00 21.07 O +ATOM 26 N GLY A 4 -17.031 0.942 -33.099 1.00 20.97 N +ATOM 27 CA GLY A 4 -18.424 1.093 -33.472 1.00 16.58 C +ATOM 28 C GLY A 4 -19.279 1.634 -32.320 1.00 18.06 C +ATOM 29 O GLY A 4 -18.819 1.789 -31.180 1.00 16.28 O +ATOM 30 N PRO A 5 -20.584 1.890 -32.564 1.00 12.89 N +ATOM 31 CA PRO A 5 -21.440 2.520 -31.556 1.00 10.80 C +ATOM 32 CB PRO A 5 -22.793 2.697 -32.298 1.00 10.45 C +ATOM 33 CG PRO A 5 -22.723 1.727 -33.430 1.00 9.74 C +ATOM 34 CD PRO A 5 -21.288 1.576 -33.817 1.00 10.46 C +ATOM 35 C PRO A 5 -21.631 1.713 -30.297 1.00 11.27 C +ATOM 36 O PRO A 5 -21.805 2.300 -29.242 1.00 13.59 O +ATOM 37 N VAL A 6 -21.670 0.382 -30.393 1.00 9.93 N +ATOM 38 CA VAL A 6 -21.903 -0.402 -29.192 1.00 12.26 C +ATOM 39 CB VAL A 6 -22.267 -1.859 -29.504 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -22.352 -2.680 -28.221 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -23.582 -1.919 -30.282 1.00 17.43 C +ATOM 42 C VAL A 6 -20.649 -0.346 -28.331 1.00 10.99 C +ATOM 43 O VAL A 6 -20.721 -0.092 -27.128 1.00 8.01 O +ATOM 44 N THR A 7 -19.486 -0.556 -28.961 1.00 10.58 N +ATOM 45 CA THR A 7 -18.211 -0.402 -28.243 1.00 12.65 C +ATOM 46 CB THR A 7 -17.023 -0.546 -29.178 1.00 11.06 C +ATOM 47 OG1 THR A 7 -17.079 -1.854 -29.799 1.00 10.95 O +ATOM 48 CG2 THR A 7 -15.753 -0.391 -28.343 1.00 11.91 C +ATOM 49 C THR A 7 -18.123 0.932 -27.492 1.00 13.19 C +ATOM 50 O THR A 7 -17.774 0.984 -26.324 1.00 10.71 O +ATOM 51 N TRP A 8 -18.537 1.997 -28.185 1.00 13.70 N +ATOM 52 CA TRP A 8 -18.462 3.365 -27.698 1.00 14.00 C +ATOM 53 CB TRP A 8 -18.728 4.260 -28.886 1.00 11.57 C +ATOM 54 CG TRP A 8 -18.831 5.682 -28.664 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -19.861 6.478 -29.057 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -19.600 7.775 -28.773 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -18.374 7.857 -28.171 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -17.856 6.547 -28.098 1.00 20.29 C +ATOM 59 CE3 TRP A 8 -16.598 6.351 -27.535 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 -15.912 7.458 -27.032 1.00 29.87 C +ATOM 61 CH2 TRP A 8 -16.450 8.761 -27.127 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -17.674 8.981 -27.690 1.00 23.41 C +ATOM 63 C TRP A 8 -19.452 3.650 -26.576 1.00 11.19 C +ATOM 64 O TRP A 8 -19.106 4.243 -25.566 1.00 9.21 O +ATOM 65 N VAL A 9 -20.707 3.268 -26.783 1.00 10.48 N +ATOM 66 CA VAL A 9 -21.727 3.611 -25.837 1.00 13.92 C +ATOM 67 CB VAL A 9 -23.153 3.397 -26.386 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -24.179 3.428 -25.261 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -23.471 4.477 -27.383 1.00 20.11 C +ATOM 70 C VAL A 9 -21.470 2.915 -24.494 1.00 10.13 C +ATOM 71 O VAL A 9 -21.661 3.499 -23.473 1.00 7.20 O +ATOM 72 N MET A 10 -20.985 1.675 -24.521 1.00 10.15 N +ATOM 73 CA MET A 10 -20.664 0.997 -23.282 1.00 11.00 C +ATOM 74 CB MET A 10 -20.223 -0.414 -23.620 1.00 14.36 C +ATOM 75 CG MET A 10 -19.564 -1.170 -22.469 1.00 16.11 C +ATOM 76 SD MET A 10 -20.725 -1.497 -21.127 1.00 21.05 S +ATOM 77 CE MET A 10 -21.787 -2.724 -21.857 1.00 21.21 C +ATOM 78 C MET A 10 -19.540 1.742 -22.498 1.00 13.64 C +ATOM 79 O MET A 10 -19.565 1.770 -21.251 1.00 12.82 O +ATOM 80 N MET A 11 -18.522 2.247 -23.230 1.00 12.90 N +ATOM 81 CA MET A 11 -17.381 3.008 -22.650 1.00 14.44 C +ATOM 82 CB MET A 11 -16.332 3.335 -23.723 1.00 12.49 C +ATOM 83 CG MET A 11 -15.542 2.102 -24.136 1.00 14.38 C +ATOM 84 SD MET A 11 -14.409 2.240 -25.555 1.00 14.01 S +ATOM 85 CE MET A 11 -12.914 2.769 -24.707 1.00 15.48 C +ATOM 86 C MET A 11 -17.889 4.290 -21.992 1.00 13.69 C +ATOM 87 O MET A 11 -17.627 4.550 -20.827 1.00 13.74 O +ATOM 88 N ILE A 12 -18.663 5.057 -22.754 1.00 12.10 N +ATOM 89 CA ILE A 12 -19.306 6.246 -22.251 1.00 17.28 C +ATOM 90 CB ILE A 12 -20.241 6.822 -23.333 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -19.417 7.511 -24.389 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -20.238 7.899 -25.620 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -21.257 7.787 -22.733 1.00 23.33 C +ATOM 94 C ILE A 12 -20.109 5.934 -20.974 1.00 13.47 C +ATOM 95 O ILE A 12 -19.965 6.585 -19.940 1.00 14.37 O +ATOM 96 N ALA A 13 -20.958 4.911 -21.062 1.00 14.13 N +ATOM 97 CA ALA A 13 -21.818 4.508 -19.973 1.00 11.62 C +ATOM 98 CB ALA A 13 -22.698 3.371 -20.385 1.00 10.69 C +ATOM 99 C ALA A 13 -21.034 4.140 -18.716 1.00 13.08 C +ATOM 100 O ALA A 13 -21.401 4.557 -17.642 1.00 14.09 O +ATOM 101 N CYS A 14 -19.943 3.376 -18.869 1.00 12.24 N +ATOM 102 CA CYS A 14 -19.097 3.010 -17.727 1.00 14.03 C +ATOM 103 CB CYS A 14 -18.038 1.968 -18.160 1.00 12.92 C +ATOM 104 SG CYS A 14 -18.730 0.330 -18.396 1.00 12.25 S +ATOM 105 C CYS A 14 -18.395 4.238 -17.073 1.00 12.57 C +ATOM 106 O CYS A 14 -18.242 4.318 -15.843 1.00 9.48 O +ATOM 107 N VAL A 15 -17.987 5.190 -17.915 1.00 9.94 N +ATOM 108 CA VAL A 15 -17.331 6.370 -17.427 1.00 11.41 C +ATOM 109 CB VAL A 15 -16.645 7.124 -18.546 1.00 11.06 C +ATOM 110 CG1 VAL A 15 -16.127 8.433 -17.995 1.00 10.96 C +ATOM 111 CG2 VAL A 15 -15.492 6.259 -19.116 1.00 10.71 C +ATOM 112 C VAL A 15 -18.313 7.252 -16.655 1.00 13.34 C +ATOM 113 O VAL A 15 -18.021 7.700 -15.533 1.00 9.03 O +ATOM 114 N VAL A 16 -19.489 7.467 -17.243 1.00 13.58 N +ATOM 115 CA VAL A 16 -20.539 8.254 -16.575 1.00 18.01 C +ATOM 116 CB VAL A 16 -21.782 8.415 -17.479 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -22.943 8.990 -16.709 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -21.474 9.349 -18.628 1.00 15.20 C +ATOM 119 C VAL A 16 -20.907 7.633 -15.207 1.00 12.72 C +ATOM 120 O VAL A 16 -21.034 8.339 -14.222 1.00 10.60 O +ATOM 121 N VAL A 17 -21.093 6.309 -15.174 1.00 11.76 N +ATOM 122 CA VAL A 17 -21.417 5.647 -13.943 1.00 11.25 C +ATOM 123 CB VAL A 17 -21.792 4.185 -14.137 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -21.991 3.501 -12.758 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -23.072 4.076 -14.958 1.00 13.31 C +ATOM 126 C VAL A 17 -20.270 5.796 -12.905 1.00 10.41 C +ATOM 127 O VAL A 17 -20.516 6.054 -11.747 1.00 7.15 O +ATOM 128 N PHE A 18 -19.023 5.680 -13.368 1.00 9.81 N +ATOM 129 CA PHE A 18 -17.865 5.812 -12.502 1.00 8.70 C +ATOM 130 CB PHE A 18 -16.596 5.523 -13.320 1.00 9.07 C +ATOM 131 CG PHE A 18 -15.357 5.360 -12.473 1.00 9.17 C +ATOM 132 CD1 PHE A 18 -15.208 4.245 -11.642 1.00 9.97 C +ATOM 133 CE1 PHE A 18 -14.067 4.083 -10.869 1.00 11.77 C +ATOM 134 CZ PHE A 18 -13.077 5.039 -10.897 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -13.223 6.141 -11.730 1.00 12.88 C +ATOM 136 CD2 PHE A 18 -14.374 6.284 -12.509 1.00 9.87 C +ATOM 137 C PHE A 18 -17.806 7.196 -11.854 1.00 8.93 C +ATOM 138 O PHE A 18 -17.469 7.344 -10.677 1.00 9.10 O +ATOM 139 N ILE A 19 -18.101 8.232 -12.649 1.00 8.90 N +ATOM 140 CA ILE A 19 -18.159 9.587 -12.175 1.00 8.28 C +ATOM 141 CB ILE A 19 -18.435 10.553 -13.328 1.00 9.07 C +ATOM 142 CG1 ILE A 19 -17.195 10.650 -14.216 1.00 8.90 C +ATOM 143 CD1 ILE A 19 -17.381 11.547 -15.426 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -18.762 11.939 -12.794 1.00 9.09 C +ATOM 145 C ILE A 19 -19.238 9.749 -11.090 1.00 8.37 C +ATOM 146 O ILE A 19 -18.994 10.331 -10.007 1.00 7.02 O +ATOM 147 N ALA A 20 -20.427 9.220 -11.378 1.00 8.61 N +ATOM 148 CA ALA A 20 -21.519 9.247 -10.437 1.00 8.46 C +ATOM 149 CB ALA A 20 -22.711 8.516 -11.008 1.00 6.88 C +ATOM 150 C ALA A 20 -21.076 8.579 -9.111 1.00 9.83 C +ATOM 151 O ALA A 20 -21.442 9.044 -8.011 1.00 10.17 O +ATOM 152 N MET A 21 -20.339 7.460 -9.226 1.00 8.36 N +ATOM 153 CA MET A 21 -19.876 6.735 -8.085 1.00 7.84 C +ATOM 154 CB MET A 21 -19.253 5.396 -8.512 1.00 10.18 C +ATOM 155 CG MET A 21 -20.228 4.416 -9.109 1.00 9.75 C +ATOM 156 SD MET A 21 -19.506 2.866 -9.692 1.00 11.62 S +ATOM 157 CE MET A 21 -19.216 2.099 -8.089 1.00 11.65 C +ATOM 158 C MET A 21 -18.891 7.594 -7.289 1.00 8.45 C +ATOM 159 O MET A 21 -18.877 7.545 -6.054 1.00 9.99 O +ATOM 160 N GLN A 22 -18.068 8.406 -7.967 1.00 8.76 N +ATOM 161 CA GLN A 22 -17.092 9.267 -7.216 1.00 8.75 C +ATOM 162 CB GLN A 22 -15.963 9.856 -8.094 1.00 8.72 C +ATOM 163 CG GLN A 22 -15.186 8.869 -8.976 1.00 13.04 C +ATOM 164 CD GLN A 22 -14.890 7.522 -8.300 1.00 12.79 C +ATOM 165 OE1 GLN A 22 -14.155 7.480 -7.319 1.00 11.44 O +ATOM 166 NE2 GLN A 22 -15.478 6.427 -8.817 1.00 13.13 N +ATOM 167 C GLN A 22 -17.777 10.424 -6.464 1.00 8.93 C +ATOM 168 O GLN A 22 -17.309 10.854 -5.442 1.00 9.72 O +ATOM 169 N ILE A 23 -18.868 10.949 -7.016 1.00 8.82 N +ATOM 170 CA ILE A 23 -19.588 12.065 -6.435 1.00 8.84 C +ATOM 171 CB ILE A 23 -20.514 12.713 -7.501 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -19.681 13.332 -8.648 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -20.513 13.636 -9.886 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -21.428 13.761 -6.878 1.00 8.45 C +ATOM 175 C ILE A 23 -20.459 11.573 -5.287 1.00 8.69 C +ATOM 176 O ILE A 23 -20.423 12.087 -4.190 1.00 8.45 O +ATOM 177 N LEU A 24 -21.273 10.558 -5.576 1.00 9.04 N +ATOM 178 CA LEU A 24 -22.298 10.047 -4.672 1.00 9.19 C +ATOM 179 CB LEU A 24 -23.412 9.485 -5.527 1.00 9.90 C +ATOM 180 CG LEU A 24 -24.189 10.446 -6.432 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -25.287 9.691 -7.192 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -24.768 11.600 -5.601 1.00 13.72 C +ATOM 183 C LEU A 24 -21.794 8.934 -3.706 1.00 10.54 C +ATOM 184 O LEU A 24 -22.457 8.625 -2.690 1.00 10.70 O +ATOM 185 N GLY A 25 -20.642 8.324 -4.047 1.00 9.22 N +ATOM 186 CA GLY A 25 -20.122 7.175 -3.339 1.00 8.44 C +ATOM 187 C GLY A 25 -20.647 5.920 -4.015 1.00 7.11 C +ATOM 188 O GLY A 25 -21.712 5.896 -4.632 1.00 8.08 O +ATOM 189 N ASP A 26 -19.851 4.861 -3.954 1.00 7.41 N +ATOM 190 CA ASP A 26 -20.210 3.567 -4.547 1.00 8.57 C +ATOM 191 CB ASP A 26 -19.143 2.543 -4.199 1.00 8.77 C +ATOM 192 CG ASP A 26 -17.789 2.832 -4.875 1.00 11.15 C +ATOM 193 OD1 ASP A 26 -17.660 3.828 -5.668 1.00 9.80 O +ATOM 194 OD2 ASP A 26 -16.844 2.069 -4.550 1.00 13.47 O +ATOM 195 C ASP A 26 -21.564 2.994 -4.109 1.00 8.19 C +ATOM 196 O ASP A 26 -22.330 2.485 -4.923 1.00 7.73 O +ATOM 197 N GLN A 27 -21.860 3.088 -2.810 1.00 9.65 N +ATOM 199 CA GLN A 27 -23.002 2.356 -2.268 1.00 10.93 C +ATOM 201 CB GLN A 27 -22.862 1.994 -0.758 1.00 12.23 C +ATOM 203 CG GLN A 27 -22.007 2.844 0.196 1.00 14.65 C +ATOM 205 CD GLN A 27 -20.578 3.163 -0.253 1.00 13.37 C +ATOM 207 OE1 GLN A 27 -20.253 4.311 -0.459 1.00 10.98 O +ATOM 209 NE2 GLN A 27 -19.731 2.148 -0.390 1.00 18.13 N +ATOM 211 C GLN A 27 -24.357 3.011 -2.667 1.00 10.39 C +ATOM 213 O GLN A 27 -25.355 2.320 -2.836 1.00 8.26 O +ATOM 215 N GLU A 28 -24.363 4.337 -2.854 1.00 9.56 N +ATOM 216 CA GLU A 28 -25.536 5.051 -3.402 1.00 8.86 C +ATOM 217 CB GLU A 28 -25.319 6.553 -3.370 1.00 10.52 C +ATOM 218 CG GLU A 28 -26.465 7.373 -3.933 1.00 12.28 C +ATOM 219 CD GLU A 28 -27.768 7.144 -3.214 1.00 13.68 C +ATOM 220 OE1 GLU A 28 -27.776 6.862 -2.004 1.00 16.22 O +ATOM 221 OE2 GLU A 28 -28.797 7.252 -3.867 1.00 18.20 O +ATOM 222 C GLU A 28 -25.809 4.624 -4.832 1.00 7.50 C +ATOM 223 O GLU A 28 -26.946 4.480 -5.205 1.00 6.97 O +ATOM 224 N VAL A 29 -24.760 4.395 -5.624 1.00 7.10 N +ATOM 225 CA VAL A 29 -24.926 3.933 -6.988 1.00 7.74 C +ATOM 226 CB VAL A 29 -23.744 4.252 -7.934 1.00 7.94 C +ATOM 227 CG1 VAL A 29 -24.038 3.769 -9.369 1.00 8.07 C +ATOM 228 CG2 VAL A 29 -23.492 5.764 -7.993 1.00 8.53 C +ATOM 229 C VAL A 29 -25.325 2.450 -7.044 1.00 9.26 C +ATOM 230 O VAL A 29 -26.220 2.088 -7.812 1.00 11.33 O +ATOM 231 N MET A 30 -24.680 1.592 -6.254 1.00 10.79 N +ATOM 232 CA MET A 30 -25.169 0.203 -6.050 1.00 11.74 C +ATOM 233 CB MET A 30 -24.438 -0.479 -4.894 1.00 14.27 C +ATOM 234 CG MET A 30 -22.888 -0.677 -5.047 1.00 15.81 C +ATOM 235 SD MET A 30 -22.547 -2.371 -5.486 1.00 33.08 S +ATOM 236 CE MET A 30 -22.934 -2.160 -7.175 1.00 20.74 C +ATOM 237 C MET A 30 -26.697 0.167 -5.770 1.00 14.59 C +ATOM 238 O MET A 30 -27.444 -0.660 -6.368 1.00 12.77 O +ATOM 239 N LEU A 31 -27.184 1.070 -4.905 1.00 14.76 N +ATOM 240 CA LEU A 31 -28.628 1.126 -4.598 1.00 15.82 C +ATOM 241 CB LEU A 31 -29.024 2.350 -3.820 1.00 17.44 C +ATOM 242 CG LEU A 31 -28.803 2.421 -2.335 1.00 16.70 C +ATOM 243 CD1 LEU A 31 -29.737 3.519 -1.858 1.00 17.12 C +ATOM 244 CD2 LEU A 31 -29.092 1.116 -1.618 1.00 21.43 C +ATOM 245 C LEU A 31 -29.503 1.152 -5.829 1.00 14.45 C +ATOM 246 O LEU A 31 -30.577 0.548 -5.855 1.00 13.84 O +ATOM 247 N TRP A 32 -29.057 1.872 -6.850 1.00 12.40 N +ATOM 248 CA TRP A 32 -29.824 2.011 -8.082 1.00 14.56 C +ATOM 249 CB TRP A 32 -29.601 3.405 -8.719 1.00 18.78 C +ATOM 250 CG TRP A 32 -30.488 4.439 -8.053 1.00 32.68 C +ATOM 251 CD1 TRP A 32 -30.365 4.916 -6.776 1.00 39.08 C +ATOM 252 NE1 TRP A 32 -31.374 5.801 -6.500 1.00 42.94 N +ATOM 253 CE2 TRP A 32 -32.185 5.912 -7.598 1.00 50.90 C +ATOM 254 CD2 TRP A 32 -31.666 5.052 -8.596 1.00 45.18 C +ATOM 255 CE3 TRP A 32 -32.321 4.981 -9.838 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 -33.462 5.771 -10.041 1.00 57.42 C +ATOM 257 CH2 TRP A 32 -33.951 6.621 -9.023 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 -33.333 6.703 -7.803 1.00 59.24 C +ATOM 259 C TRP A 32 -29.563 0.914 -9.078 1.00 14.53 C +ATOM 260 O TRP A 32 -30.485 0.473 -9.750 1.00 15.15 O +ATOM 261 N LEU A 33 -28.296 0.494 -9.201 1.00 14.48 N +ATOM 262 CA LEU A 33 -27.879 -0.338 -10.340 1.00 13.03 C +ATOM 263 CB LEU A 33 -26.730 0.318 -11.054 1.00 11.82 C +ATOM 264 CG LEU A 33 -26.990 1.694 -11.666 1.00 15.06 C +ATOM 265 CD1 LEU A 33 -25.711 2.167 -12.338 1.00 16.02 C +ATOM 266 CD2 LEU A 33 -28.114 1.655 -12.676 1.00 17.26 C +ATOM 267 C LEU A 33 -27.483 -1.763 -10.008 1.00 12.50 C +ATOM 268 O LEU A 33 -27.185 -2.522 -10.903 1.00 14.24 O +ATOM 269 N ALA A 34 -27.378 -2.102 -8.722 1.00 11.25 N +ATOM 270 CA ALA A 34 -26.895 -3.423 -8.345 1.00 14.07 C +ATOM 271 CB ALA A 34 -26.512 -3.490 -6.881 1.00 12.90 C +ATOM 272 C ALA A 34 -27.969 -4.469 -8.661 1.00 10.89 C +ATOM 273 O ALA A 34 -29.153 -4.155 -8.719 1.00 9.58 O +ATOM 274 N TRP A 35 -27.523 -5.695 -8.889 1.00 9.03 N +ATOM 275 CA TRP A 35 -28.402 -6.866 -8.849 1.00 10.73 C +ATOM 276 CB TRP A 35 -27.527 -8.121 -8.712 1.00 8.48 C +ATOM 277 CG TRP A 35 -28.290 -9.422 -8.958 1.00 8.22 C +ATOM 278 CD1 TRP A 35 -29.048 -10.093 -8.055 1.00 7.83 C +ATOM 279 NE1 TRP A 35 -29.526 -11.215 -8.605 1.00 7.62 N +ATOM 280 CE2 TRP A 35 -29.134 -11.278 -9.916 1.00 7.64 C +ATOM 281 CD2 TRP A 35 -28.329 -10.178 -10.158 1.00 7.37 C +ATOM 282 CE3 TRP A 35 -27.770 -10.012 -11.440 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 -28.038 -10.986 -12.428 1.00 7.84 C +ATOM 284 CH2 TRP A 35 -28.820 -12.094 -12.131 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 -29.398 -12.254 -10.896 1.00 7.63 C +ATOM 286 C TRP A 35 -29.370 -6.786 -7.670 1.00 11.27 C +ATOM 287 O TRP A 35 -28.975 -6.401 -6.579 1.00 9.35 O +ATOM 288 N PRO A 36 -30.660 -7.172 -7.813 1.00 12.00 N +ATOM 289 CA PRO A 36 -31.622 -6.974 -6.730 1.00 11.46 C +ATOM 290 CB PRO A 36 -32.859 -7.678 -7.226 1.00 11.66 C +ATOM 291 CG PRO A 36 -32.707 -7.696 -8.706 1.00 13.54 C +ATOM 292 CD PRO A 36 -31.262 -7.773 -9.010 1.00 13.31 C +ATOM 293 C PRO A 36 -31.130 -7.578 -5.443 1.00 11.59 C +ATOM 294 O PRO A 36 -30.826 -8.759 -5.385 1.00 10.46 O +ATOM 295 N PHE A 37 -31.050 -6.751 -4.404 1.00 13.56 N +ATOM 296 CA PHE A 37 -30.533 -7.193 -3.115 1.00 14.55 C +ATOM 297 CB PHE A 37 -29.421 -6.249 -2.610 1.00 13.96 C +ATOM 298 CG PHE A 37 -29.737 -4.803 -2.785 1.00 11.55 C +ATOM 299 CD2 PHE A 37 -29.331 -4.127 -3.908 1.00 12.09 C +ATOM 300 CE2 PHE A 37 -29.672 -2.788 -4.098 1.00 11.27 C +ATOM 301 CZ PHE A 37 -30.374 -2.126 -3.132 1.00 11.14 C +ATOM 302 CE1 PHE A 37 -30.777 -2.798 -1.991 1.00 11.63 C +ATOM 303 CD1 PHE A 37 -30.473 -4.128 -1.833 1.00 12.46 C +ATOM 304 C PHE A 37 -31.668 -7.288 -2.133 1.00 13.37 C +ATOM 305 O PHE A 37 -31.471 -7.613 -0.993 1.00 14.81 O +ATOM 306 N ASP A 38 -32.881 -7.041 -2.611 1.00 17.05 N +ATOM 307 CA ASP A 38 -34.105 -7.173 -1.823 1.00 19.15 C +ATOM 308 CB ASP A 38 -34.521 -5.798 -1.325 1.00 20.34 C +ATOM 309 CG ASP A 38 -35.502 -5.877 -0.192 1.00 30.28 C +ATOM 310 OD1 ASP A 38 -35.165 -6.540 0.805 1.00 44.07 O +ATOM 311 OD2 ASP A 38 -36.610 -5.312 -0.298 1.00 34.29 O +ATOM 312 C ASP A 38 -35.190 -7.717 -2.747 1.00 15.90 C +ATOM 313 O ASP A 38 -35.229 -7.330 -3.916 1.00 16.79 O +ATOM 314 N PRO A 39 -36.134 -8.566 -2.261 1.00 20.32 N +ATOM 315 CA PRO A 39 -37.220 -9.073 -3.115 1.00 16.16 C +ATOM 316 CB PRO A 39 -38.126 -9.843 -2.149 1.00 15.98 C +ATOM 317 CG PRO A 39 -37.316 -10.062 -0.921 1.00 18.68 C +ATOM 318 CD PRO A 39 -36.207 -9.068 -0.873 1.00 17.52 C +ATOM 319 C PRO A 39 -38.044 -7.988 -3.774 1.00 16.16 C +ATOM 320 O PRO A 39 -38.499 -8.160 -4.903 1.00 21.77 O +ATOM 321 N THR A 40 -38.227 -6.862 -3.084 1.00 11.59 N +ATOM 322 CA THR A 40 -38.961 -5.770 -3.649 1.00 10.55 C +ATOM 323 CB THR A 40 -39.182 -4.681 -2.612 1.00 11.60 C +ATOM 324 OG1 THR A 40 -37.916 -4.212 -2.177 1.00 18.55 O +ATOM 325 CG2 THR A 40 -39.913 -5.200 -1.396 1.00 10.47 C +ATOM 326 C THR A 40 -38.307 -5.161 -4.913 1.00 12.17 C +ATOM 327 O THR A 40 -38.940 -4.355 -5.589 1.00 13.12 O +ATOM 328 N LEU A 41 -37.050 -5.525 -5.218 1.00 10.51 N +ATOM 329 CA LEU A 41 -36.331 -4.967 -6.367 1.00 11.95 C +ATOM 330 CB LEU A 41 -34.887 -4.568 -5.984 1.00 14.91 C +ATOM 331 CG LEU A 41 -34.749 -3.686 -4.690 1.00 17.34 C +ATOM 332 CD1 LEU A 41 -33.319 -3.312 -4.341 1.00 16.53 C +ATOM 333 CD2 LEU A 41 -35.579 -2.415 -4.783 1.00 15.46 C +ATOM 334 C LEU A 41 -36.330 -5.924 -7.558 1.00 12.84 C +ATOM 335 O LEU A 41 -35.772 -5.620 -8.617 1.00 11.38 O +ATOM 336 N LYS A 42 -36.970 -7.086 -7.372 1.00 12.67 N +ATOM 337 CA LYS A 42 -36.919 -8.166 -8.323 1.00 13.81 C +ATOM 338 CB LYS A 42 -37.632 -9.391 -7.748 1.00 16.24 C +ATOM 339 CG LYS A 42 -39.153 -9.260 -7.618 1.00 22.83 C +ATOM 340 CD LYS A 42 -39.754 -10.297 -6.648 1.00 21.04 C +ATOM 341 CE LYS A 42 -41.016 -9.785 -5.959 1.00 23.94 C +ATOM 342 NZ LYS A 42 -41.210 -10.441 -4.621 1.00 32.66 N +ATOM 343 C LYS A 42 -37.494 -7.740 -9.676 1.00 15.51 C +ATOM 344 O LYS A 42 -37.037 -8.228 -10.720 1.00 11.66 O +ATOM 345 N PHE A 43 -38.450 -6.795 -9.666 1.00 17.22 N +ATOM 346 CA PHE A 43 -39.059 -6.320 -10.917 1.00 20.93 C +ATOM 347 CB PHE A 43 -40.504 -5.935 -10.651 1.00 22.33 C +ATOM 348 CG PHE A 43 -41.324 -7.042 -10.025 1.00 20.58 C +ATOM 349 CD1 PHE A 43 -41.631 -8.188 -10.751 1.00 20.68 C +ATOM 350 CE1 PHE A 43 -42.398 -9.206 -10.203 1.00 24.15 C +ATOM 351 CZ PHE A 43 -42.872 -9.088 -8.902 1.00 26.39 C +ATOM 352 CE2 PHE A 43 -42.584 -7.939 -8.163 1.00 32.87 C +ATOM 353 CD2 PHE A 43 -41.801 -6.928 -8.723 1.00 28.63 C +ATOM 354 C PHE A 43 -38.305 -5.215 -11.694 1.00 27.18 C +ATOM 355 O PHE A 43 -38.629 -4.937 -12.862 1.00 25.90 O +ATOM 356 N GLU A 44 -37.260 -4.656 -11.067 1.00 22.49 N +ATOM 357 CA GLU A 44 -36.445 -3.586 -11.638 1.00 15.89 C +ATOM 358 CB GLU A 44 -35.821 -2.774 -10.503 1.00 15.72 C +ATOM 359 CG GLU A 44 -36.891 -2.035 -9.714 1.00 15.25 C +ATOM 360 CD GLU A 44 -36.398 -1.189 -8.536 1.00 21.01 C +ATOM 361 OE1 GLU A 44 -35.187 -1.043 -8.266 1.00 16.50 O +ATOM 362 OE2 GLU A 44 -37.266 -0.655 -7.815 1.00 23.93 O +ATOM 363 C GLU A 44 -35.432 -4.222 -12.598 1.00 16.81 C +ATOM 364 O GLU A 44 -34.252 -4.460 -12.245 1.00 11.81 O +ATOM 365 N PHE A 45 -35.914 -4.427 -13.837 1.00 16.82 N +ATOM 367 CA PHE A 45 -35.322 -5.282 -14.882 1.00 19.36 C +ATOM 369 CB PHE A 45 -36.190 -5.301 -16.195 1.00 23.18 C +ATOM 371 CG PHE A 45 -36.379 -3.936 -16.868 1.00 30.12 C +ATOM 373 CD1 PHE A 45 -37.394 -3.069 -16.465 1.00 31.35 C +ATOM 375 CE1 PHE A 45 -37.566 -1.836 -17.080 1.00 34.10 C +ATOM 377 CZ PHE A 45 -36.734 -1.455 -18.112 1.00 29.11 C +ATOM 379 CE2 PHE A 45 -35.727 -2.302 -18.531 1.00 29.48 C +ATOM 381 CD2 PHE A 45 -35.556 -3.536 -17.925 1.00 33.40 C +ATOM 383 C PHE A 45 -33.876 -4.977 -15.213 1.00 15.69 C +ATOM 385 O PHE A 45 -33.084 -5.884 -15.487 1.00 15.15 O +ATOM 387 N TRP A 46 -33.549 -3.683 -15.204 1.00 15.30 N +ATOM 388 CA TRP A 46 -32.217 -3.190 -15.547 1.00 12.11 C +ATOM 389 CB TRP A 46 -32.194 -1.669 -15.502 1.00 11.86 C +ATOM 390 CG TRP A 46 -32.362 -1.069 -14.144 1.00 11.95 C +ATOM 391 CD1 TRP A 46 -31.374 -0.814 -13.255 1.00 14.46 C +ATOM 392 NE1 TRP A 46 -31.897 -0.254 -12.112 1.00 13.21 N +ATOM 393 CE2 TRP A 46 -33.243 -0.087 -12.279 1.00 12.73 C +ATOM 394 CD2 TRP A 46 -33.570 -0.579 -13.549 1.00 14.22 C +ATOM 395 CE3 TRP A 46 -34.912 -0.509 -13.973 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 -35.861 0.013 -13.098 1.00 16.83 C +ATOM 397 CH2 TRP A 46 -35.490 0.499 -11.837 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 -34.195 0.465 -11.412 1.00 16.01 C +ATOM 399 C TRP A 46 -31.124 -3.789 -14.638 1.00 11.22 C +ATOM 400 O TRP A 46 -30.033 -4.018 -15.084 1.00 12.05 O +ATOM 401 N ARG A 47 -31.440 -4.004 -13.354 1.00 12.46 N +ATOM 402 CA ARG A 47 -30.480 -4.528 -12.369 1.00 12.68 C +ATOM 403 CB ARG A 47 -31.182 -4.780 -11.048 1.00 11.77 C +ATOM 404 CG ARG A 47 -31.676 -3.490 -10.454 1.00 11.77 C +ATOM 405 CD ARG A 47 -32.360 -3.733 -9.154 1.00 12.31 C +ATOM 406 NE ARG A 47 -32.809 -2.504 -8.533 1.00 14.80 N +ATOM 407 CZ ARG A 47 -32.071 -1.714 -7.743 1.00 17.44 C +ATOM 408 NH1 ARG A 47 -30.820 -2.022 -7.416 1.00 16.23 N +ATOM 409 NH2 ARG A 47 -32.609 -0.626 -7.214 1.00 14.30 N +ATOM 410 C ARG A 47 -29.756 -5.817 -12.800 1.00 12.29 C +ATOM 411 O ARG A 47 -28.646 -6.089 -12.344 1.00 9.14 O +ATOM 412 N TYR A 48 -30.390 -6.616 -13.670 1.00 10.04 N +ATOM 413 CA TYR A 48 -29.836 -7.913 -14.030 1.00 10.43 C +ATOM 414 CB TYR A 48 -30.956 -8.855 -14.593 1.00 10.84 C +ATOM 415 CG TYR A 48 -32.047 -9.140 -13.575 1.00 7.71 C +ATOM 416 CD1 TYR A 48 -31.804 -9.980 -12.496 1.00 7.71 C +ATOM 417 CE1 TYR A 48 -32.766 -10.258 -11.552 1.00 6.25 C +ATOM 418 CZ TYR A 48 -34.005 -9.695 -11.669 1.00 6.42 C +ATOM 419 OH TYR A 48 -34.975 -9.997 -10.710 1.00 6.77 O +ATOM 420 CE2 TYR A 48 -34.293 -8.876 -12.734 1.00 6.94 C +ATOM 421 CD2 TYR A 48 -33.321 -8.598 -13.684 1.00 8.10 C +ATOM 422 C TYR A 48 -28.691 -7.717 -14.992 1.00 10.47 C +ATOM 423 O TYR A 48 -27.901 -8.640 -15.232 1.00 9.93 O +ATOM 424 N PHE A 49 -28.573 -6.483 -15.488 1.00 10.22 N +ATOM 425 CA PHE A 49 -27.524 -6.049 -16.423 1.00 13.54 C +ATOM 426 CB PHE A 49 -28.178 -5.616 -17.755 1.00 13.65 C +ATOM 427 CG PHE A 49 -29.111 -6.682 -18.312 1.00 10.24 C +ATOM 428 CD1 PHE A 49 -28.628 -7.683 -19.138 1.00 11.08 C +ATOM 429 CE1 PHE A 49 -29.450 -8.688 -19.610 1.00 9.94 C +ATOM 430 CZ PHE A 49 -30.776 -8.674 -19.244 1.00 10.35 C +ATOM 431 CE2 PHE A 49 -31.250 -7.696 -18.395 1.00 10.99 C +ATOM 432 CD2 PHE A 49 -30.414 -6.714 -17.941 1.00 9.51 C +ATOM 433 C PHE A 49 -26.597 -4.925 -15.908 1.00 11.86 C +ATOM 434 O PHE A 49 -25.395 -4.945 -16.157 1.00 11.51 O +ATOM 435 N THR A 50 -27.155 -3.971 -15.173 1.00 12.55 N +ATOM 436 CA THR A 50 -26.431 -2.760 -14.885 1.00 14.45 C +ATOM 437 CB THR A 50 -27.359 -1.635 -14.493 1.00 15.19 C +ATOM 438 OG1 THR A 50 -28.152 -2.067 -13.397 1.00 14.97 O +ATOM 439 CG2 THR A 50 -28.220 -1.164 -15.716 1.00 15.23 C +ATOM 440 C THR A 50 -25.340 -2.895 -13.784 1.00 14.00 C +ATOM 441 O THR A 50 -24.518 -2.002 -13.649 1.00 13.59 O +ATOM 442 N HIS A 51 -25.306 -4.033 -13.066 1.00 12.10 N +ATOM 443 CA HIS A 51 -24.162 -4.416 -12.246 1.00 11.62 C +ATOM 444 CB HIS A 51 -24.374 -5.800 -11.622 1.00 13.56 C +ATOM 445 CG HIS A 51 -24.528 -6.895 -12.640 1.00 12.87 C +ATOM 446 ND1 HIS A 51 -23.447 -7.477 -13.269 1.00 8.49 N +ATOM 447 CE1 HIS A 51 -23.892 -8.361 -14.152 1.00 12.06 C +ATOM 448 NE2 HIS A 51 -25.222 -8.359 -14.129 1.00 12.69 N +ATOM 449 CD2 HIS A 51 -25.642 -7.433 -13.206 1.00 9.97 C +ATOM 450 C HIS A 51 -22.818 -4.350 -13.069 1.00 12.16 C +ATOM 451 O HIS A 51 -21.731 -3.974 -12.547 1.00 11.44 O +ATOM 452 N ALA A 52 -22.901 -4.624 -14.369 1.00 10.69 N +ATOM 453 CA ALA A 52 -21.727 -4.586 -15.238 1.00 11.23 C +ATOM 454 CB ALA A 52 -21.996 -5.315 -16.543 1.00 13.23 C +ATOM 455 C ALA A 52 -21.104 -3.200 -15.532 1.00 9.35 C +ATOM 456 O ALA A 52 -19.929 -3.130 -15.941 1.00 9.41 O +ATOM 457 N LEU A 53 -21.850 -2.142 -15.229 1.00 9.87 N +ATOM 458 CA LEU A 53 -21.487 -0.729 -15.522 1.00 12.33 C +ATOM 459 CB LEU A 53 -22.731 0.087 -15.857 1.00 11.52 C +ATOM 460 CG LEU A 53 -23.500 -0.408 -17.099 1.00 16.11 C +ATOM 461 CD1 LEU A 53 -24.669 0.516 -17.369 1.00 15.54 C +ATOM 462 CD2 LEU A 53 -22.622 -0.476 -18.352 1.00 16.40 C +ATOM 463 C LEU A 53 -20.765 -0.011 -14.391 1.00 13.74 C +ATOM 464 O LEU A 53 -20.313 1.101 -14.578 1.00 16.46 O +ATOM 465 N MET A 54 -20.675 -0.662 -13.215 1.00 14.40 N +ATOM 466 CA MET A 54 -20.087 -0.074 -12.011 1.00 10.98 C +ATOM 467 CB MET A 54 -20.922 -0.496 -10.821 1.00 10.55 C +ATOM 468 CG MET A 54 -22.201 0.266 -10.716 1.00 13.54 C +ATOM 469 SD MET A 54 -23.150 -0.107 -9.242 1.00 10.40 S +ATOM 470 CE MET A 54 -23.709 -1.750 -9.760 1.00 9.03 C +ATOM 471 C MET A 54 -18.659 -0.617 -11.815 1.00 12.18 C +ATOM 472 O MET A 54 -18.407 -1.816 -11.942 1.00 12.58 O +ATOM 473 N HIS A 55 -17.718 0.282 -11.519 1.00 12.28 N +ATOM 474 CA HIS A 55 -16.402 -0.098 -11.122 1.00 11.39 C +ATOM 475 CB HIS A 55 -15.402 0.226 -12.223 1.00 11.48 C +ATOM 476 CG HIS A 55 -15.670 -0.507 -13.484 1.00 12.61 C +ATOM 477 ND1 HIS A 55 -16.510 -0.014 -14.469 1.00 13.59 N +ATOM 478 CE1 HIS A 55 -16.572 -0.882 -15.456 1.00 14.30 C +ATOM 479 NE2 HIS A 55 -15.830 -1.932 -15.142 1.00 12.53 N +ATOM 480 CD2 HIS A 55 -15.255 -1.721 -13.909 1.00 14.17 C +ATOM 481 C HIS A 55 -15.991 0.523 -9.799 1.00 11.45 C +ATOM 482 O HIS A 55 -16.334 1.625 -9.509 1.00 13.10 O +ATOM 483 N PHE A 56 -15.197 -0.218 -9.023 1.00 10.11 N +ATOM 484 CA PHE A 56 -14.780 0.198 -7.677 1.00 9.89 C +ATOM 485 CB PHE A 56 -14.931 -0.981 -6.719 1.00 10.76 C +ATOM 486 CG PHE A 56 -16.299 -1.576 -6.764 1.00 13.55 C +ATOM 487 CD1 PHE A 56 -17.412 -0.792 -6.398 1.00 14.41 C +ATOM 488 CE1 PHE A 56 -18.707 -1.311 -6.464 1.00 21.55 C +ATOM 489 CZ PHE A 56 -18.903 -2.619 -6.890 1.00 23.29 C +ATOM 490 CE2 PHE A 56 -17.801 -3.420 -7.207 1.00 17.99 C +ATOM 491 CD2 PHE A 56 -16.503 -2.885 -7.163 1.00 17.37 C +ATOM 492 C PHE A 56 -13.409 0.743 -7.588 1.00 8.06 C +ATOM 493 O PHE A 56 -13.048 1.278 -6.579 1.00 11.21 O +ATOM 494 N SER A 57 -12.641 0.621 -8.662 1.00 9.25 N +ATOM 495 CA SER A 57 -11.309 1.121 -8.719 1.00 12.25 C +ATOM 496 CB SER A 57 -10.305 0.055 -8.232 1.00 12.81 C +ATOM 497 OG SER A 57 -9.992 -0.856 -9.277 1.00 15.25 O +ATOM 498 C SER A 57 -10.962 1.579 -10.154 1.00 12.91 C +ATOM 499 O SER A 57 -11.436 1.029 -11.143 1.00 14.35 O +ATOM 500 N LEU A 58 -10.100 2.595 -10.204 1.00 10.97 N +ATOM 501 CA LEU A 58 -9.541 3.187 -11.377 1.00 11.43 C +ATOM 502 CB LEU A 58 -8.574 4.278 -10.889 1.00 12.33 C +ATOM 503 CG LEU A 58 -7.769 4.961 -11.956 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -8.753 5.460 -13.008 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.951 6.100 -11.335 1.00 14.25 C +ATOM 506 C LEU A 58 -8.781 2.172 -12.222 1.00 13.71 C +ATOM 507 O LEU A 58 -8.892 2.121 -13.455 1.00 11.94 O +ATOM 508 N MET A 59 -7.984 1.350 -11.543 1.00 16.33 N +ATOM 509 CA MET A 59 -7.172 0.347 -12.222 1.00 18.57 C +ATOM 510 CB MET A 59 -6.221 -0.276 -11.190 1.00 23.05 C +ATOM 511 CG MET A 59 -5.848 -1.721 -11.393 1.00 26.57 C +ATOM 513 SD MET A 59 -4.090 -1.947 -11.054 1.00 22.79 S +ATOM 515 CE MET A 59 -4.065 -3.702 -11.403 1.00 24.88 C +ATOM 517 C MET A 59 -8.093 -0.619 -13.013 1.00 17.18 C +ATOM 518 O MET A 59 -7.845 -0.858 -14.194 1.00 14.21 O +ATOM 519 N HIS A 60 -9.204 -1.053 -12.393 1.00 14.12 N +ATOM 520 CA HIS A 60 -10.122 -2.008 -12.999 1.00 16.07 C +ATOM 521 CB HIS A 60 -10.946 -2.676 -11.918 1.00 22.58 C +ATOM 522 CG HIS A 60 -10.148 -3.649 -11.108 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -10.694 -4.455 -10.131 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -9.740 -5.208 -9.611 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -8.598 -4.927 -10.219 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -8.834 -3.967 -11.166 1.00 50.39 C +ATOM 527 C HIS A 60 -10.984 -1.437 -14.136 1.00 12.01 C +ATOM 528 O HIS A 60 -11.158 -2.109 -15.168 1.00 10.26 O +ATOM 529 N ILE A 61 -11.462 -0.195 -13.989 1.00 8.67 N +ATOM 530 CA ILE A 61 -12.155 0.432 -15.084 1.00 8.62 C +ATOM 531 CB ILE A 61 -12.923 1.696 -14.707 1.00 7.58 C +ATOM 532 CG1 ILE A 61 -13.876 2.075 -15.865 1.00 8.87 C +ATOM 533 CD1 ILE A 61 -14.766 3.269 -15.582 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -12.014 2.843 -14.359 1.00 8.93 C +ATOM 535 C ILE A 61 -11.245 0.557 -16.296 1.00 8.60 C +ATOM 536 O ILE A 61 -11.641 0.262 -17.414 1.00 8.64 O +ATOM 537 N LEU A 62 -9.995 0.926 -16.073 1.00 12.67 N +ATOM 538 CA LEU A 62 -9.051 1.149 -17.166 1.00 13.90 C +ATOM 539 CB LEU A 62 -7.790 1.855 -16.686 1.00 18.30 C +ATOM 540 CG LEU A 62 -7.969 3.362 -16.395 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.817 3.910 -15.541 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -8.082 4.161 -17.687 1.00 22.18 C +ATOM 543 C LEU A 62 -8.719 -0.131 -17.884 1.00 10.78 C +ATOM 544 O LEU A 62 -8.805 -0.193 -19.091 1.00 8.81 O +ATOM 545 N PHE A 63 -8.380 -1.181 -17.139 1.00 12.10 N +ATOM 546 CA PHE A 63 -8.090 -2.474 -17.781 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.407 -3.464 -16.831 1.00 13.80 C +ATOM 548 CG PHE A 63 -5.941 -3.183 -16.702 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -5.089 -3.427 -17.791 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -3.742 -3.109 -17.738 1.00 29.98 C +ATOM 551 CZ PHE A 63 -3.233 -2.517 -16.607 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -4.056 -2.247 -15.537 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -5.416 -2.561 -15.584 1.00 23.06 C +ATOM 554 C PHE A 63 -9.326 -3.070 -18.457 1.00 9.46 C +ATOM 555 O PHE A 63 -9.207 -3.538 -19.579 1.00 9.63 O +ATOM 556 N ASN A 64 -10.478 -3.067 -17.768 1.00 8.67 N +ATOM 557 CA ASN A 64 -11.744 -3.618 -18.289 1.00 9.14 C +ATOM 558 CB ASN A 64 -12.938 -3.517 -17.280 1.00 11.48 C +ATOM 559 CG ASN A 64 -12.813 -4.452 -16.067 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -13.567 -4.410 -15.003 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -11.837 -5.310 -16.206 1.00 12.68 N +ATOM 562 C ASN A 64 -12.049 -2.879 -19.624 1.00 8.26 C +ATOM 563 O ASN A 64 -12.353 -3.484 -20.639 1.00 10.86 O +ATOM 564 N LEU A 65 -11.917 -1.556 -19.640 1.00 8.25 N +ATOM 565 CA LEU A 65 -12.282 -0.817 -20.829 1.00 7.48 C +ATOM 566 CB LEU A 65 -12.625 0.628 -20.544 1.00 6.64 C +ATOM 567 CG LEU A 65 -13.934 0.924 -19.821 1.00 6.96 C +ATOM 568 CD1 LEU A 65 -14.229 2.403 -19.750 1.00 6.37 C +ATOM 569 CD2 LEU A 65 -15.155 0.302 -20.431 1.00 8.07 C +ATOM 570 C LEU A 65 -11.296 -0.983 -21.943 1.00 8.20 C +ATOM 571 O LEU A 65 -11.686 -0.865 -23.107 1.00 10.57 O +ATOM 572 N LEU A 66 -10.026 -1.232 -21.602 1.00 9.34 N +ATOM 573 CA LEU A 66 -8.977 -1.434 -22.585 1.00 11.79 C +ATOM 574 CB LEU A 66 -7.609 -1.583 -21.880 1.00 16.80 C +ATOM 575 CG LEU A 66 -6.435 -1.833 -22.858 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.179 -0.616 -23.757 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -5.157 -2.306 -22.137 1.00 27.68 C +ATOM 578 C LEU A 66 -9.290 -2.701 -23.381 1.00 10.64 C +ATOM 579 O LEU A 66 -9.285 -2.701 -24.625 1.00 15.70 O +ATOM 580 N TRP A 67 -9.545 -3.780 -22.643 1.00 9.19 N +ATOM 581 CA TRP A 67 -9.915 -5.080 -23.183 1.00 11.28 C +ATOM 582 CB TRP A 67 -10.045 -6.109 -22.048 1.00 13.34 C +ATOM 583 CG TRP A 67 -8.747 -6.690 -21.568 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -8.240 -6.639 -20.291 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -7.073 -7.335 -20.214 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -6.774 -7.848 -21.450 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.831 -7.479 -22.330 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.813 -7.926 -23.655 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -6.754 -8.686 -24.077 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -5.689 -9.045 -23.164 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -5.697 -8.639 -21.855 1.00 14.32 C +ATOM 592 C TRP A 67 -11.229 -5.057 -23.949 1.00 8.88 C +ATOM 593 O TRP A 67 -11.307 -5.624 -25.015 1.00 8.19 O +ATOM 594 N TRP A 68 -12.261 -4.429 -23.359 1.00 10.01 N +ATOM 595 CA TRP A 68 -13.549 -4.179 -24.023 1.00 10.75 C +ATOM 596 CB TRP A 68 -14.515 -3.403 -23.106 1.00 12.22 C +ATOM 597 CG TRP A 68 -15.684 -2.815 -23.867 1.00 10.28 C +ATOM 598 CD1 TRP A 68 -15.769 -1.553 -24.400 1.00 10.20 C +ATOM 599 NE1 TRP A 68 -16.953 -1.392 -25.037 1.00 12.09 N +ATOM 600 CE2 TRP A 68 -17.667 -2.549 -24.959 1.00 10.02 C +ATOM 601 CD2 TRP A 68 -16.889 -3.469 -24.198 1.00 9.02 C +ATOM 602 CE3 TRP A 68 -17.394 -4.747 -23.945 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 -18.693 -5.072 -24.436 1.00 10.67 C +ATOM 604 CH2 TRP A 68 -19.459 -4.109 -25.176 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 -18.951 -2.860 -25.466 1.00 10.72 C +ATOM 606 C TRP A 68 -13.338 -3.419 -25.345 1.00 12.58 C +ATOM 607 O TRP A 68 -13.855 -3.832 -26.396 1.00 12.72 O +ATOM 608 N TRP A 69 -12.540 -2.345 -25.308 1.00 9.65 N +ATOM 609 CA TRP A 69 -12.296 -1.574 -26.504 1.00 11.78 C +ATOM 610 CB TRP A 69 -11.443 -0.326 -26.171 1.00 14.65 C +ATOM 611 CG TRP A 69 -11.064 0.617 -27.339 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -11.883 1.088 -28.317 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -11.196 1.910 -29.172 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -9.903 1.986 -28.760 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -9.784 1.184 -27.597 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -8.548 1.138 -26.932 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -7.469 1.884 -27.459 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -7.629 2.661 -28.628 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -8.835 2.727 -29.282 1.00 36.39 C +ATOM 620 C TRP A 69 -11.630 -2.439 -27.601 1.00 10.65 C +ATOM 621 O TRP A 69 -12.004 -2.373 -28.772 1.00 7.41 O +ATOM 622 N TYR A 70 -10.626 -3.223 -27.206 1.00 9.26 N +ATOM 623 CA TYR A 70 -9.925 -4.081 -28.158 1.00 10.38 C +ATOM 624 CB TYR A 70 -8.599 -4.590 -27.568 1.00 11.80 C +ATOM 625 CG TYR A 70 -7.693 -5.251 -28.578 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.996 -4.507 -29.526 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -6.176 -5.126 -30.475 1.00 19.00 C +ATOM 628 CZ TYR A 70 -6.078 -6.512 -30.487 1.00 21.71 C +ATOM 629 OH TYR A 70 -5.267 -7.185 -31.386 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -6.779 -7.261 -29.567 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -7.573 -6.628 -28.617 1.00 19.10 C +ATOM 632 C TYR A 70 -10.751 -5.271 -28.672 1.00 8.62 C +ATOM 633 O TYR A 70 -10.856 -5.491 -29.872 1.00 8.15 O +ATOM 634 N LEU A 71 -11.307 -6.068 -27.763 1.00 8.22 N +ATOM 635 CA LEU A 71 -11.956 -7.291 -28.167 1.00 8.75 C +ATOM 636 CB LEU A 71 -11.989 -8.301 -27.042 1.00 10.19 C +ATOM 637 CG LEU A 71 -10.671 -8.786 -26.460 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -10.965 -9.735 -25.348 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -9.855 -9.528 -27.499 1.00 13.03 C +ATOM 640 C LEU A 71 -13.369 -6.981 -28.600 1.00 9.72 C +ATOM 641 O LEU A 71 -13.791 -7.390 -29.687 1.00 10.90 O +ATOM 642 N GLY A 72 -14.084 -6.233 -27.749 1.00 10.28 N +ATOM 643 CA GLY A 72 -15.360 -5.618 -28.107 1.00 10.65 C +ATOM 644 C GLY A 72 -15.302 -5.014 -29.487 1.00 9.77 C +ATOM 645 O GLY A 72 -16.078 -5.357 -30.316 1.00 10.46 O +ATOM 646 N GLY A 73 -14.343 -4.124 -29.734 1.00 10.80 N +ATOM 647 CA GLY A 73 -14.260 -3.396 -30.997 1.00 9.84 C +ATOM 648 C GLY A 73 -13.985 -4.294 -32.205 1.00 9.93 C +ATOM 649 O GLY A 73 -14.514 -4.093 -33.311 1.00 9.02 O +ATOM 650 N ALA A 74 -13.152 -5.312 -31.995 1.00 10.45 N +ATOM 651 CA ALA A 74 -12.895 -6.308 -33.031 1.00 10.89 C +ATOM 652 CB ALA A 74 -11.826 -7.294 -32.554 1.00 10.75 C +ATOM 653 C ALA A 74 -14.217 -7.043 -33.378 1.00 8.90 C +ATOM 654 O ALA A 74 -14.622 -7.108 -34.518 1.00 9.49 O +ATOM 655 N VAL A 75 -14.905 -7.548 -32.359 1.00 8.02 N +ATOM 656 CA VAL A 75 -16.136 -8.257 -32.596 1.00 9.54 C +ATOM 657 CB VAL A 75 -16.763 -8.780 -31.302 1.00 8.90 C +ATOM 658 CG1 VAL A 75 -18.160 -9.337 -31.566 1.00 10.78 C +ATOM 659 CG2 VAL A 75 -15.877 -9.861 -30.724 1.00 8.31 C +ATOM 660 C VAL A 75 -17.126 -7.429 -33.411 1.00 8.80 C +ATOM 661 O VAL A 75 -17.639 -7.900 -34.389 1.00 10.62 O +ATOM 662 N GLU A 76 -17.402 -6.206 -32.983 1.00 9.32 N +ATOM 663 CA GLU A 76 -18.325 -5.313 -33.689 1.00 11.38 C +ATOM 664 CB GLU A 76 -18.458 -3.959 -32.979 1.00 13.00 C +ATOM 665 CG GLU A 76 -19.459 -2.960 -33.569 1.00 11.01 C +ATOM 666 CD GLU A 76 -19.930 -1.972 -32.515 1.00 12.62 C +ATOM 667 OE1 GLU A 76 -19.183 -1.652 -31.548 1.00 12.49 O +ATOM 668 OE2 GLU A 76 -21.075 -1.503 -32.634 1.00 16.29 O +ATOM 669 C GLU A 76 -17.901 -5.085 -35.109 1.00 13.17 C +ATOM 670 O GLU A 76 -18.731 -5.165 -36.019 1.00 14.71 O +ATOM 671 N LYS A 77 -16.614 -4.801 -35.315 1.00 13.53 N +ATOM 672 CA LYS A 77 -16.122 -4.518 -36.648 1.00 16.95 C +ATOM 673 CB LYS A 77 -14.657 -4.040 -36.619 1.00 24.89 C +ATOM 674 CG LYS A 77 -14.161 -3.299 -37.866 1.00 29.96 C +ATOM 675 CD LYS A 77 -14.941 -2.005 -38.217 1.00 48.81 C +ATOM 676 CE LYS A 77 -15.143 -0.991 -37.062 1.00 51.17 C +ATOM 677 NZ LYS A 77 -16.530 -0.918 -36.453 1.00 41.66 N +ATOM 678 C LYS A 77 -16.262 -5.727 -37.572 1.00 13.69 C +ATOM 679 O LYS A 77 -16.677 -5.582 -38.695 1.00 11.09 O +ATOM 680 N ARG A 78 -15.902 -6.922 -37.107 1.00 13.15 N +ATOM 681 CA ARG A 78 -15.846 -8.048 -38.034 1.00 17.21 C +ATOM 682 CB ARG A 78 -14.682 -8.998 -37.745 1.00 26.03 C +ATOM 683 CG ARG A 78 -13.397 -8.360 -37.220 1.00 42.52 C +ATOM 684 CD ARG A 78 -12.379 -7.830 -38.235 1.00 53.37 C +ATOM 685 NE ARG A 78 -11.577 -6.732 -37.625 1.00 85.31 N +ATOM 686 CZ ARG A 78 -10.644 -6.856 -36.659 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -10.316 -8.045 -36.148 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -10.027 -5.770 -36.185 1.00 57.06 N +ATOM 689 C ARG A 78 -17.168 -8.817 -38.138 1.00 12.62 C +ATOM 690 O ARG A 78 -17.476 -9.334 -39.200 1.00 12.21 O +ATOM 691 N LEU A 79 -17.925 -8.884 -37.034 1.00 10.41 N +ATOM 692 CA LEU A 79 -19.150 -9.689 -36.895 1.00 8.22 C +ATOM 693 CB LEU A 79 -19.032 -10.642 -35.681 1.00 8.17 C +ATOM 694 CG LEU A 79 -17.737 -11.450 -35.652 1.00 8.98 C +ATOM 695 CD1 LEU A 79 -17.606 -12.471 -34.513 1.00 8.36 C +ATOM 696 CD2 LEU A 79 -17.616 -12.166 -36.995 1.00 9.32 C +ATOM 697 C LEU A 79 -20.417 -8.847 -36.746 1.00 6.91 C +ATOM 698 O LEU A 79 -21.527 -9.358 -36.876 1.00 8.56 O +ATOM 699 N GLY A 80 -20.272 -7.557 -36.453 1.00 5.95 N +ATOM 700 CA GLY A 80 -21.408 -6.681 -36.293 1.00 5.85 C +ATOM 701 C GLY A 80 -21.738 -6.281 -34.849 1.00 6.74 C +ATOM 702 O GLY A 80 -21.452 -6.996 -33.891 1.00 6.31 O +ATOM 703 N SER A 81 -22.427 -5.142 -34.751 1.00 6.52 N +ATOM 704 CA SER A 81 -23.011 -4.613 -33.568 1.00 7.29 C +ATOM 705 CB SER A 81 -23.800 -3.357 -33.946 1.00 6.49 C +ATOM 706 OG SER A 81 -22.894 -2.315 -34.225 1.00 7.34 O +ATOM 707 C SER A 81 -23.900 -5.582 -32.808 1.00 7.07 C +ATOM 708 O SER A 81 -23.785 -5.703 -31.543 1.00 7.73 O +ATOM 709 N GLY A 82 -24.761 -6.284 -33.547 1.00 6.35 N +ATOM 710 CA GLY A 82 -25.686 -7.239 -32.962 1.00 6.26 C +ATOM 711 C GLY A 82 -25.010 -8.351 -32.158 1.00 6.75 C +ATOM 712 O GLY A 82 -25.465 -8.743 -31.075 1.00 7.96 O +ATOM 713 N LYS A 83 -23.926 -8.884 -32.716 1.00 6.78 N +ATOM 714 CA LYS A 83 -23.197 -9.951 -32.130 1.00 7.45 C +ATOM 715 CB LYS A 83 -22.079 -10.352 -33.092 1.00 10.15 C +ATOM 716 CG LYS A 83 -21.203 -11.485 -32.552 1.00 13.46 C +ATOM 717 CD LYS A 83 -21.959 -12.777 -32.354 1.00 15.35 C +ATOM 718 CE LYS A 83 -22.229 -13.440 -33.701 1.00 13.83 C +ATOM 719 NZ LYS A 83 -22.853 -14.738 -33.391 1.00 17.70 N +ATOM 720 C LYS A 83 -22.612 -9.460 -30.791 1.00 7.49 C +ATOM 721 O LYS A 83 -22.686 -10.144 -29.784 1.00 6.49 O +ATOM 722 N LEU A 84 -22.055 -8.243 -30.786 1.00 7.56 N +ATOM 723 CA LEU A 84 -21.476 -7.676 -29.567 1.00 8.80 C +ATOM 724 CB LEU A 84 -20.776 -6.345 -29.822 1.00 8.75 C +ATOM 725 CG LEU A 84 -20.035 -5.752 -28.602 1.00 9.25 C +ATOM 726 CD1 LEU A 84 -19.131 -6.767 -27.942 1.00 11.42 C +ATOM 727 CD2 LEU A 84 -19.228 -4.516 -28.998 1.00 8.81 C +ATOM 728 C LEU A 84 -22.558 -7.475 -28.527 1.00 9.07 C +ATOM 729 O LEU A 84 -22.344 -7.783 -27.372 1.00 7.30 O +ATOM 730 N ILE A 85 -23.721 -6.959 -28.964 1.00 8.25 N +ATOM 731 CA ILE A 85 -24.876 -6.826 -28.071 1.00 8.61 C +ATOM 732 CB ILE A 85 -26.081 -6.227 -28.807 1.00 9.61 C +ATOM 733 CG1 ILE A 85 -25.818 -4.735 -29.062 1.00 10.88 C +ATOM 734 CD1 ILE A 85 -26.736 -4.127 -30.111 1.00 13.48 C +ATOM 735 CG2 ILE A 85 -27.392 -6.397 -28.007 1.00 9.42 C +ATOM 736 C ILE A 85 -25.268 -8.119 -27.342 1.00 7.41 C +ATOM 737 O ILE A 85 -25.422 -8.111 -26.115 1.00 8.94 O +ATOM 738 N VAL A 86 -25.415 -9.219 -28.085 1.00 6.37 N +ATOM 739 CA VAL A 86 -25.884 -10.465 -27.491 1.00 6.19 C +ATOM 740 CB VAL A 86 -26.273 -11.494 -28.594 1.00 5.97 C +ATOM 742 CG1 VAL A 86 -27.034 -12.683 -28.001 1.00 5.42 C +ATOM 744 CG2 VAL A 86 -27.045 -10.819 -29.719 1.00 5.92 C +ATOM 746 C VAL A 86 -24.838 -11.101 -26.593 1.00 7.25 C +ATOM 747 O VAL A 86 -25.156 -11.551 -25.509 1.00 7.60 O +ATOM 748 N ILE A 87 -23.577 -11.134 -27.042 1.00 8.21 N +ATOM 749 CA ILE A 87 -22.494 -11.541 -26.144 1.00 9.69 C +ATOM 750 CB ILE A 87 -21.147 -11.350 -26.793 1.00 10.87 C +ATOM 751 CG1 ILE A 87 -20.997 -12.340 -27.919 1.00 10.95 C +ATOM 752 CD1 ILE A 87 -19.722 -12.109 -28.723 1.00 11.24 C +ATOM 753 CG2 ILE A 87 -20.024 -11.536 -25.766 1.00 14.74 C +ATOM 754 C ILE A 87 -22.538 -10.784 -24.812 1.00 8.23 C +ATOM 755 O ILE A 87 -22.523 -11.346 -23.716 1.00 8.72 O +ATOM 756 N THR A 88 -22.670 -9.477 -24.926 1.00 10.12 N +ATOM 757 CA THR A 88 -22.714 -8.602 -23.763 1.00 9.66 C +ATOM 758 CB THR A 88 -22.715 -7.129 -24.183 1.00 8.86 C +ATOM 759 OG1 THR A 88 -21.550 -6.851 -24.946 1.00 8.21 O +ATOM 760 CG2 THR A 88 -22.750 -6.198 -22.941 1.00 9.41 C +ATOM 761 C THR A 88 -23.930 -8.894 -22.883 1.00 10.56 C +ATOM 762 O THR A 88 -23.764 -8.988 -21.693 1.00 9.67 O +ATOM 763 N LEU A 89 -25.143 -9.003 -23.472 1.00 9.79 N +ATOM 764 CA LEU A 89 -26.351 -9.272 -22.666 1.00 9.43 C +ATOM 765 CB LEU A 89 -27.643 -9.258 -23.486 1.00 10.49 C +ATOM 766 CG LEU A 89 -27.995 -7.896 -24.095 1.00 13.29 C +ATOM 767 CD1 LEU A 89 -29.258 -8.022 -24.924 1.00 12.80 C +ATOM 768 CD2 LEU A 89 -28.146 -6.789 -23.045 1.00 15.37 C +ATOM 769 C LEU A 89 -26.282 -10.585 -21.926 1.00 10.23 C +ATOM 770 O LEU A 89 -26.704 -10.679 -20.764 1.00 16.46 O +ATOM 771 N ILE A 90 -25.812 -11.623 -22.624 1.00 9.43 N +ATOM 772 CA ILE A 90 -25.857 -12.976 -22.135 1.00 10.41 C +ATOM 773 CB ILE A 90 -25.635 -14.011 -23.289 1.00 10.97 C +ATOM 774 CG1 ILE A 90 -26.824 -14.038 -24.260 1.00 10.17 C +ATOM 775 CD1 ILE A 90 -26.655 -15.025 -25.433 1.00 11.35 C +ATOM 776 CG2 ILE A 90 -25.509 -15.408 -22.688 1.00 13.93 C +ATOM 777 C ILE A 90 -24.770 -13.094 -21.068 1.00 10.30 C +ATOM 778 O ILE A 90 -24.983 -13.657 -20.017 1.00 11.27 O +ATOM 779 N SER A 91 -23.585 -12.592 -21.376 1.00 9.52 N +ATOM 780 CA SER A 91 -22.496 -12.648 -20.400 1.00 14.52 C +ATOM 781 CB SER A 91 -21.150 -12.232 -20.995 1.00 13.25 C +ATOM 782 OG SER A 91 -21.137 -10.897 -21.373 1.00 12.23 O +ATOM 783 C SER A 91 -22.830 -11.849 -19.104 1.00 10.37 C +ATOM 784 O SER A 91 -22.594 -12.347 -18.006 1.00 9.69 O +ATOM 785 N ALA A 92 -23.413 -10.658 -19.258 1.00 9.09 N +ATOM 786 CA ALA A 92 -23.796 -9.842 -18.101 1.00 9.92 C +ATOM 787 CB ALA A 92 -24.308 -8.468 -18.495 1.00 9.81 C +ATOM 788 C ALA A 92 -24.801 -10.537 -17.236 1.00 9.21 C +ATOM 789 O ALA A 92 -24.706 -10.526 -16.033 1.00 11.95 O +ATOM 790 N LEU A 93 -25.808 -11.144 -17.859 1.00 12.58 N +ATOM 791 CA LEU A 93 -26.889 -11.767 -17.122 1.00 11.15 C +ATOM 792 CB LEU A 93 -27.971 -12.131 -18.109 1.00 13.97 C +ATOM 793 CG LEU A 93 -29.237 -12.642 -17.553 1.00 15.28 C +ATOM 794 CD1 LEU A 93 -29.899 -11.649 -16.608 1.00 14.89 C +ATOM 795 CD2 LEU A 93 -30.116 -12.981 -18.765 1.00 18.93 C +ATOM 796 C LEU A 93 -26.415 -13.023 -16.412 1.00 9.22 C +ATOM 797 O LEU A 93 -26.731 -13.238 -15.228 1.00 9.53 O +ATOM 798 N LEU A 94 -25.694 -13.876 -17.152 1.00 8.54 N +ATOM 799 CA LEU A 94 -25.294 -15.171 -16.619 1.00 10.77 C +ATOM 800 CB LEU A 94 -24.829 -16.136 -17.723 1.00 9.48 C +ATOM 802 CG LEU A 94 -25.951 -16.947 -18.370 1.00 8.72 C +ATOM 804 CD1 LEU A 94 -26.867 -16.083 -19.194 1.00 8.52 C +ATOM 806 CD2 LEU A 94 -25.392 -18.028 -19.262 1.00 9.47 C +ATOM 808 C LEU A 94 -24.214 -14.981 -15.547 1.00 10.87 C +ATOM 809 O LEU A 94 -24.253 -15.639 -14.484 1.00 14.49 O +ATOM 810 N SER A 95 -23.285 -14.047 -15.793 1.00 9.20 N +ATOM 811 CA SER A 95 -22.207 -13.834 -14.848 1.00 9.77 C +ATOM 812 CB SER A 95 -21.117 -12.956 -15.460 1.00 11.24 C +ATOM 813 OG SER A 95 -21.572 -11.635 -15.673 1.00 10.77 O +ATOM 814 C SER A 95 -22.751 -13.283 -13.559 1.00 10.28 C +ATOM 815 O SER A 95 -22.375 -13.713 -12.471 1.00 11.54 O +ATOM 816 N GLY A 96 -23.731 -12.382 -13.665 1.00 9.63 N +ATOM 817 CA GLY A 96 -24.378 -11.829 -12.478 1.00 9.09 C +ATOM 818 C GLY A 96 -25.141 -12.884 -11.699 1.00 10.87 C +ATOM 819 O GLY A 96 -25.141 -12.896 -10.441 1.00 9.44 O +ATOM 820 N TYR A 97 -25.859 -13.751 -12.429 1.00 10.40 N +ATOM 821 CA TYR A 97 -26.655 -14.754 -11.774 1.00 10.22 C +ATOM 822 CB TYR A 97 -27.494 -15.567 -12.778 1.00 9.26 C +ATOM 823 CG TYR A 97 -27.807 -16.936 -12.322 1.00 11.80 C +ATOM 824 CD1 TYR A 97 -28.754 -17.188 -11.355 1.00 13.53 C +ATOM 825 CE1 TYR A 97 -28.983 -18.468 -10.903 1.00 15.13 C +ATOM 826 CZ TYR A 97 -28.277 -19.507 -11.428 1.00 17.92 C +ATOM 827 OH TYR A 97 -28.481 -20.849 -11.075 1.00 35.59 O +ATOM 828 CE2 TYR A 97 -27.349 -19.281 -12.393 1.00 20.60 C +ATOM 829 CD2 TYR A 97 -27.099 -18.002 -12.821 1.00 15.19 C +ATOM 830 C TYR A 97 -25.742 -15.665 -10.949 1.00 10.61 C +ATOM 831 O TYR A 97 -26.076 -16.007 -9.815 1.00 9.19 O +ATOM 832 N VAL A 98 -24.630 -16.110 -11.557 1.00 10.24 N +ATOM 833 CA VAL A 98 -23.738 -17.053 -10.906 1.00 11.42 C +ATOM 834 CB VAL A 98 -22.720 -17.603 -11.911 1.00 13.55 C +ATOM 835 CG1 VAL A 98 -21.656 -18.421 -11.180 1.00 13.24 C +ATOM 836 CG2 VAL A 98 -23.432 -18.479 -12.959 1.00 13.47 C +ATOM 837 C VAL A 98 -23.008 -16.416 -9.723 1.00 9.87 C +ATOM 838 O VAL A 98 -22.858 -17.034 -8.676 1.00 8.32 O +ATOM 839 N GLN A 99 -22.532 -15.185 -9.922 1.00 9.03 N +ATOM 840 CA GLN A 99 -21.917 -14.421 -8.865 1.00 10.14 C +ATOM 841 CB GLN A 99 -21.501 -13.048 -9.325 1.00 9.94 C +ATOM 842 CG GLN A 99 -20.687 -12.277 -8.253 1.00 12.42 C +ATOM 843 CD GLN A 99 -19.453 -13.015 -7.762 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -18.792 -13.713 -8.536 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -19.178 -12.931 -6.446 1.00 13.91 N +ATOM 846 C GLN A 99 -22.804 -14.289 -7.663 1.00 10.64 C +ATOM 847 O GLN A 99 -22.344 -14.507 -6.511 1.00 13.44 O +ATOM 848 N GLN A 100 -24.070 -13.917 -7.883 1.00 11.43 N +ATOM 849 CA GLN A 100 -24.954 -13.695 -6.736 1.00 10.79 C +ATOM 850 CB GLN A 100 -26.196 -12.878 -7.043 1.00 15.29 C +ATOM 851 CG GLN A 100 -27.204 -13.459 -8.029 1.00 15.18 C +ATOM 852 CD GLN A 100 -28.114 -14.523 -7.458 1.00 20.02 C +ATOM 853 OE1 GLN A 100 -28.505 -14.435 -6.271 1.00 17.98 O +ATOM 854 NE2 GLN A 100 -28.388 -15.624 -8.285 1.00 13.46 N +ATOM 855 C GLN A 100 -25.298 -14.992 -6.047 1.00 11.18 C +ATOM 856 O GLN A 100 -25.412 -15.020 -4.832 1.00 10.28 O +ATOM 857 N LYS A 101 -25.404 -16.087 -6.811 1.00 12.05 N +ATOM 858 CA LYS A 101 -25.674 -17.401 -6.220 1.00 15.91 C +ATOM 859 CB LYS A 101 -25.751 -18.484 -7.295 1.00 19.62 C +ATOM 860 CG LYS A 101 -26.193 -19.845 -6.800 1.00 25.54 C +ATOM 861 CD LYS A 101 -27.485 -19.801 -5.989 1.00 36.13 C +ATOM 862 CE LYS A 101 -28.621 -19.017 -6.647 1.00 47.35 C +ATOM 863 NZ LYS A 101 -29.789 -18.961 -5.714 1.00 53.61 N +ATOM 864 C LYS A 101 -24.603 -17.820 -5.194 1.00 14.76 C +ATOM 865 O LYS A 101 -24.938 -18.368 -4.195 1.00 12.05 O +ATOM 866 N PHE A 102 -23.324 -17.590 -5.499 1.00 17.64 N +ATOM 867 CA PHE A 102 -22.218 -18.037 -4.646 1.00 22.08 C +ATOM 868 CB PHE A 102 -20.889 -18.140 -5.396 1.00 32.43 C +ATOM 869 CG PHE A 102 -20.817 -19.229 -6.440 1.00 49.16 C +ATOM 870 CD1 PHE A 102 -21.765 -20.246 -6.530 1.00 57.17 C +ATOM 871 CE1 PHE A 102 -21.644 -21.242 -7.500 1.00 64.20 C +ATOM 872 CZ PHE A 102 -20.559 -21.243 -8.373 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -19.593 -20.250 -8.286 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -19.721 -19.253 -7.325 1.00 70.03 C +ATOM 875 C PHE A 102 -21.959 -17.075 -3.509 1.00 15.16 C +ATOM 876 O PHE A 102 -21.667 -17.509 -2.436 1.00 18.94 O +ATOM 877 N SER A 103 -22.073 -15.771 -3.773 1.00 13.90 N +ATOM 878 CA SER A 103 -21.572 -14.727 -2.891 1.00 11.20 C +ATOM 879 CB SER A 103 -20.309 -14.195 -3.558 1.00 11.98 C +ATOM 880 OG SER A 103 -19.427 -15.276 -3.653 1.00 11.27 O +ATOM 881 C SER A 103 -22.473 -13.525 -2.612 1.00 11.46 C +ATOM 882 O SER A 103 -22.046 -12.573 -1.977 1.00 9.51 O +ATOM 883 N GLY A 104 -23.690 -13.523 -3.166 1.00 10.24 N +ATOM 884 CA GLY A 104 -24.637 -12.451 -2.929 1.00 9.26 C +ATOM 885 C GLY A 104 -24.549 -11.285 -3.911 1.00 9.97 C +ATOM 886 O GLY A 104 -23.775 -11.275 -4.866 1.00 7.26 O +ATOM 887 N PRO A 105 -25.419 -10.276 -3.720 1.00 7.88 N +ATOM 888 CA PRO A 105 -25.678 -9.282 -4.757 1.00 8.48 C +ATOM 889 CB PRO A 105 -27.062 -8.809 -4.339 1.00 8.22 C +ATOM 890 CG PRO A 105 -27.007 -8.885 -2.822 1.00 6.83 C +ATOM 891 CD PRO A 105 -26.293 -10.159 -2.551 1.00 6.35 C +ATOM 892 C PRO A 105 -24.685 -8.063 -4.877 1.00 10.05 C +ATOM 893 O PRO A 105 -24.861 -7.192 -5.734 1.00 10.01 O +ATOM 894 N TRP A 106 -23.694 -7.998 -3.989 1.00 11.69 N +ATOM 895 CA TRP A 106 -22.848 -6.807 -3.829 1.00 11.54 C +ATOM 896 CB TRP A 106 -22.502 -6.595 -2.355 1.00 12.46 C +ATOM 897 CG TRP A 106 -23.715 -6.450 -1.568 1.00 12.18 C +ATOM 898 CD1 TRP A 106 -24.239 -7.363 -0.718 1.00 10.82 C +ATOM 899 NE1 TRP A 106 -25.396 -6.873 -0.152 1.00 11.60 N +ATOM 900 CE2 TRP A 106 -25.684 -5.655 -0.714 1.00 11.11 C +ATOM 901 CD2 TRP A 106 -24.631 -5.353 -1.609 1.00 13.14 C +ATOM 902 CE3 TRP A 106 -24.669 -4.150 -2.305 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 -25.770 -3.290 -2.094 1.00 14.76 C +ATOM 904 CH2 TRP A 106 -26.783 -3.624 -1.182 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 -26.758 -4.800 -0.502 1.00 10.23 C +ATOM 906 C TRP A 106 -21.606 -6.969 -4.635 1.00 10.94 C +ATOM 907 O TRP A 106 -20.495 -7.168 -4.085 1.00 10.11 O +ATOM 908 N PHE A 107 -21.799 -6.916 -5.956 1.00 11.04 N +ATOM 909 CA PHE A 107 -20.731 -7.041 -6.918 1.00 10.70 C +ATOM 910 CB PHE A 107 -20.674 -8.485 -7.421 1.00 13.62 C +ATOM 911 CG PHE A 107 -21.858 -8.897 -8.228 1.00 12.43 C +ATOM 912 CD1 PHE A 107 -22.981 -9.371 -7.610 1.00 14.88 C +ATOM 913 CE1 PHE A 107 -24.085 -9.758 -8.334 1.00 15.39 C +ATOM 914 CZ PHE A 107 -24.073 -9.635 -9.696 1.00 15.58 C +ATOM 915 CE2 PHE A 107 -22.946 -9.171 -10.344 1.00 12.75 C +ATOM 916 CD2 PHE A 107 -21.843 -8.787 -9.601 1.00 14.16 C +ATOM 917 C PHE A 107 -20.976 -6.075 -8.050 1.00 12.33 C +ATOM 918 O PHE A 107 -22.081 -5.532 -8.209 1.00 12.46 O +ATOM 919 N GLY A 108 -19.935 -5.839 -8.848 1.00 9.93 N +ATOM 920 CA GLY A 108 -20.072 -5.014 -10.016 1.00 8.76 C +ATOM 921 C GLY A 108 -18.853 -5.117 -10.877 1.00 9.73 C +ATOM 922 O GLY A 108 -17.823 -5.611 -10.457 1.00 9.84 O +ATOM 923 N GLY A 109 -18.969 -4.614 -12.098 1.00 10.32 N +ATOM 924 CA GLY A 109 -17.840 -4.570 -12.990 1.00 10.57 C +ATOM 925 C GLY A 109 -18.073 -5.267 -14.313 1.00 11.70 C +ATOM 926 O GLY A 109 -18.826 -6.246 -14.402 1.00 11.87 O +ATOM 927 N LEU A 110 -17.362 -4.781 -15.328 1.00 11.04 N +ATOM 928 CA LEU A 110 -17.378 -5.314 -16.673 1.00 14.57 C +ATOM 929 CB LEU A 110 -16.975 -4.182 -17.651 1.00 11.87 C +ATOM 930 CG LEU A 110 -17.367 -4.420 -19.106 1.00 12.86 C +ATOM 931 CD1 LEU A 110 -18.906 -4.481 -19.217 1.00 12.16 C +ATOM 932 CD2 LEU A 110 -16.783 -3.269 -19.930 1.00 12.82 C +ATOM 933 C LEU A 110 -16.566 -6.625 -16.949 1.00 11.01 C +ATOM 934 O LEU A 110 -16.628 -7.196 -18.013 1.00 14.43 O +ATOM 935 N SER A 111 -15.834 -7.123 -15.969 1.00 13.29 N +ATOM 936 CA SER A 111 -14.972 -8.267 -16.183 1.00 10.12 C +ATOM 937 CB SER A 111 -14.054 -8.500 -14.971 1.00 10.55 C +ATOM 938 OG SER A 111 -14.775 -8.858 -13.780 1.00 11.02 O +ATOM 939 C SER A 111 -15.678 -9.568 -16.545 1.00 12.43 C +ATOM 940 O SER A 111 -15.048 -10.443 -17.156 1.00 13.91 O +ATOM 941 N GLY A 112 -16.960 -9.714 -16.178 1.00 12.21 N +ATOM 942 CA GLY A 112 -17.730 -10.883 -16.590 1.00 12.07 C +ATOM 943 C GLY A 112 -17.795 -10.878 -18.101 1.00 11.14 C +ATOM 944 O GLY A 112 -17.527 -11.896 -18.794 1.00 9.44 O +ATOM 945 N VAL A 113 -18.140 -9.697 -18.622 1.00 10.51 N +ATOM 946 CA VAL A 113 -18.237 -9.432 -20.058 1.00 10.87 C +ATOM 947 CB VAL A 113 -18.860 -8.050 -20.347 1.00 8.83 C +ATOM 948 CG1 VAL A 113 -18.840 -7.788 -21.821 1.00 13.82 C +ATOM 949 CG2 VAL A 113 -20.287 -7.963 -19.851 1.00 9.67 C +ATOM 950 C VAL A 113 -16.867 -9.537 -20.717 1.00 9.75 C +ATOM 951 O VAL A 113 -16.721 -10.090 -21.744 1.00 10.43 O +ATOM 952 N VAL A 114 -15.846 -8.969 -20.087 1.00 10.82 N +ATOM 953 CA VAL A 114 -14.518 -9.053 -20.623 1.00 10.51 C +ATOM 954 CB VAL A 114 -13.535 -8.221 -19.807 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -12.119 -8.534 -20.200 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -13.823 -6.761 -20.044 1.00 11.97 C +ATOM 957 C VAL A 114 -14.052 -10.495 -20.745 1.00 10.52 C +ATOM 958 O VAL A 114 -13.441 -10.844 -21.780 1.00 8.61 O +ATOM 959 N TYR A 115 -14.323 -11.316 -19.712 1.00 11.27 N +ATOM 960 CA TYR A 115 -13.934 -12.738 -19.733 1.00 12.70 C +ATOM 961 CB TYR A 115 -14.181 -13.493 -18.402 1.00 13.31 C +ATOM 962 CG TYR A 115 -13.064 -13.355 -17.341 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -12.503 -12.128 -17.051 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -11.532 -11.985 -16.107 1.00 13.42 C +ATOM 965 CZ TYR A 115 -11.107 -13.073 -15.378 1.00 17.17 C +ATOM 966 OH TYR A 115 -10.130 -12.878 -14.406 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -11.649 -14.326 -15.628 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -12.619 -14.460 -16.605 1.00 18.31 C +ATOM 969 C TYR A 115 -14.631 -13.474 -20.896 1.00 13.25 C +ATOM 970 O TYR A 115 -14.008 -14.293 -21.549 1.00 12.92 O +ATOM 971 N ALA A 116 -15.922 -13.181 -21.124 1.00 11.18 N +ATOM 972 CA ALA A 116 -16.682 -13.748 -22.253 1.00 10.79 C +ATOM 973 CB ALA A 116 -18.111 -13.238 -22.199 1.00 11.53 C +ATOM 974 C ALA A 116 -16.016 -13.378 -23.597 1.00 12.39 C +ATOM 975 O ALA A 116 -15.812 -14.227 -24.461 1.00 9.32 O +ATOM 976 N LEU A 117 -15.585 -12.118 -23.726 1.00 11.10 N +ATOM 977 CA LEU A 117 -14.951 -11.675 -24.972 1.00 12.43 C +ATOM 978 CB LEU A 117 -14.736 -10.149 -24.961 1.00 9.99 C +ATOM 979 CG LEU A 117 -16.027 -9.377 -25.081 1.00 12.19 C +ATOM 980 CD1 LEU A 117 -15.724 -7.897 -24.901 1.00 14.38 C +ATOM 981 CD2 LEU A 117 -16.672 -9.641 -26.437 1.00 10.14 C +ATOM 982 C LEU A 117 -13.638 -12.389 -25.214 1.00 10.88 C +ATOM 983 O LEU A 117 -13.328 -12.824 -26.351 1.00 11.53 O +ATOM 984 N MET A 118 -12.851 -12.502 -24.141 1.00 10.42 N +ATOM 985 CA MET A 118 -11.595 -13.206 -24.213 1.00 10.48 C +ATOM 986 CB MET A 118 -10.919 -13.204 -22.869 1.00 13.13 C +ATOM 987 CG MET A 118 -10.235 -11.881 -22.543 1.00 14.60 C +ATOM 988 SD MET A 118 -9.697 -11.993 -20.810 1.00 14.44 S +ATOM 989 CE MET A 118 -8.704 -10.514 -20.701 1.00 20.16 C +ATOM 990 C MET A 118 -11.761 -14.618 -24.698 1.00 9.46 C +ATOM 991 O MET A 118 -11.060 -15.045 -25.640 1.00 8.61 O +ATOM 992 N GLY A 119 -12.676 -15.347 -24.056 1.00 7.77 N +ATOM 993 CA GLY A 119 -12.966 -16.713 -24.453 1.00 11.08 C +ATOM 994 C GLY A 119 -13.568 -16.824 -25.877 1.00 11.34 C +ATOM 995 O GLY A 119 -13.253 -17.739 -26.634 1.00 8.29 O +ATOM 996 N TYR A 120 -14.462 -15.883 -26.208 1.00 11.77 N +ATOM 997 CA TYR A 120 -15.099 -15.824 -27.496 1.00 10.79 C +ATOM 998 CB TYR A 120 -16.149 -14.701 -27.575 1.00 9.35 C +ATOM 999 CG TYR A 120 -16.925 -14.827 -28.862 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 -18.014 -15.699 -28.991 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 -18.697 -15.813 -30.200 1.00 7.07 C +ATOM 1002 CZ TYR A 120 -18.264 -15.068 -31.291 1.00 7.22 C +ATOM 1003 OH TYR A 120 -18.818 -15.100 -32.514 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 -17.185 -14.218 -31.169 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 -16.536 -14.112 -29.972 1.00 8.76 C +ATOM 1006 C TYR A 120 -14.067 -15.673 -28.629 1.00 11.63 C +ATOM 1007 O TYR A 120 -14.038 -16.500 -29.602 1.00 7.78 O +ATOM 1008 N VAL A 121 -13.267 -14.598 -28.531 1.00 12.00 N +ATOM 1009 CA VAL A 121 -12.352 -14.233 -29.617 1.00 9.62 C +ATOM 1010 CB VAL A 121 -11.726 -12.835 -29.453 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -10.634 -12.584 -30.510 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -12.800 -11.761 -29.521 1.00 10.90 C +ATOM 1013 C VAL A 121 -11.298 -15.322 -29.746 1.00 10.36 C +ATOM 1014 O VAL A 121 -10.996 -15.801 -30.855 1.00 9.00 O +ATOM 1015 N TRP A 122 -10.773 -15.769 -28.604 1.00 10.35 N +ATOM 1016 CA TRP A 122 -9.756 -16.802 -28.633 1.00 10.59 C +ATOM 1017 CB TRP A 122 -9.291 -17.164 -27.216 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.260 -18.221 -27.287 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -7.018 -18.096 -27.792 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -6.368 -19.295 -27.736 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -7.208 -20.227 -27.196 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -8.415 -19.585 -26.922 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -9.458 -20.322 -26.367 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -9.251 -21.675 -26.112 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -8.037 -22.296 -26.416 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -7.005 -21.589 -26.948 1.00 14.95 C +ATOM 1027 C TRP A 122 -10.271 -18.098 -29.330 1.00 10.52 C +ATOM 1028 O TRP A 122 -9.642 -18.613 -30.253 1.00 6.62 O +ATOM 1029 N LEU A 123 -11.401 -18.616 -28.832 1.00 9.99 N +ATOM 1030 CA LEU A 123 -11.904 -19.899 -29.265 1.00 12.53 C +ATOM 1031 CB LEU A 123 -13.012 -20.423 -28.334 1.00 12.84 C +ATOM 1032 CG LEU A 123 -13.474 -21.836 -28.784 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -12.319 -22.836 -28.815 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -14.618 -22.355 -27.923 1.00 18.37 C +ATOM 1035 C LEU A 123 -12.394 -19.811 -30.720 1.00 12.42 C +ATOM 1036 O LEU A 123 -12.144 -20.703 -31.511 1.00 9.14 O +ATOM 1037 N ARG A 124 -13.066 -18.704 -31.059 1.00 12.68 N +ATOM 1038 CA ARG A 124 -13.569 -18.511 -32.418 1.00 13.93 C +ATOM 1039 CB ARG A 124 -14.383 -17.228 -32.483 1.00 14.88 C +ATOM 1040 CG ARG A 124 -15.127 -16.966 -33.767 1.00 18.68 C +ATOM 1041 CD ARG A 124 -16.425 -17.754 -33.906 1.00 18.98 C +ATOM 1042 NE ARG A 124 -16.953 -17.666 -35.274 1.00 18.18 N +ATOM 1043 CZ ARG A 124 -17.763 -16.712 -35.744 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 -18.205 -15.718 -34.996 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 -18.163 -16.771 -36.991 1.00 19.04 N +ATOM 1046 C ARG A 124 -12.387 -18.518 -33.388 1.00 11.93 C +ATOM 1047 O ARG A 124 -12.441 -19.155 -34.420 1.00 11.11 O +ATOM 1048 N GLY A 125 -11.317 -17.809 -33.015 1.00 11.83 N +ATOM 1049 CA GLY A 125 -10.048 -17.842 -33.713 1.00 13.33 C +ATOM 1050 C GLY A 125 -9.528 -19.251 -33.909 1.00 12.39 C +ATOM 1051 O GLY A 125 -9.235 -19.650 -35.019 1.00 14.55 O +ATOM 1052 N GLU A 126 -9.444 -20.019 -32.825 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.928 -21.380 -32.903 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.795 -21.999 -31.501 1.00 21.28 C +ATOM 1055 CG GLU A 126 -7.744 -21.326 -30.629 1.00 25.78 C +ATOM 1056 CD GLU A 126 -6.345 -21.288 -31.257 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -5.602 -22.272 -31.113 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -5.976 -20.258 -31.880 1.00 34.29 O +ATOM 1059 C GLU A 126 -9.757 -22.296 -33.811 1.00 22.38 C +ATOM 1060 O GLU A 126 -9.197 -23.086 -34.563 1.00 19.45 O +ATOM 1061 N ARG A 127 -11.091 -22.194 -33.732 1.00 24.01 N +ATOM 1062 CA ARG A 127 -11.986 -23.156 -34.386 1.00 25.28 C +ATOM 1063 CB ARG A 127 -13.231 -23.388 -33.528 1.00 25.96 C +ATOM 1064 CG ARG A 127 -12.970 -24.151 -32.236 1.00 30.58 C +ATOM 1065 CD ARG A 127 -14.247 -24.772 -31.668 1.00 33.46 C +ATOM 1066 NE ARG A 127 -14.721 -25.883 -32.494 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -15.973 -26.073 -32.918 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -16.962 -25.267 -32.566 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -16.248 -27.109 -33.692 1.00 35.07 N +ATOM 1070 C ARG A 127 -12.416 -22.743 -35.790 1.00 25.09 C +ATOM 1071 O ARG A 127 -12.815 -23.564 -36.580 1.00 38.00 O +ATOM 1072 N ASP A 128 -12.329 -21.450 -36.087 1.00 30.78 N +ATOM 1073 CA ASP A 128 -13.007 -20.860 -37.225 1.00 27.85 C +ATOM 1074 CB ASP A 128 -14.399 -20.412 -36.758 1.00 37.74 C +ATOM 1075 CG ASP A 128 -15.303 -19.951 -37.882 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -15.002 -20.198 -39.071 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 -16.343 -19.338 -37.537 1.00 23.64 O +ATOM 1078 C ASP A 128 -12.134 -19.685 -37.650 1.00 29.31 C +ATOM 1079 O ASP A 128 -12.553 -18.530 -37.595 1.00 21.22 O +ATOM 1080 N PRO A 129 -10.867 -19.970 -38.030 1.00 31.44 N +ATOM 1081 CA PRO A 129 -9.928 -18.958 -38.517 1.00 33.06 C +ATOM 1082 CB PRO A 129 -8.972 -19.795 -39.389 1.00 39.26 C +ATOM 1083 CG PRO A 129 -9.029 -21.188 -38.830 1.00 36.32 C +ATOM 1084 CD PRO A 129 -10.254 -21.310 -37.967 1.00 33.88 C +ATOM 1085 C PRO A 129 -10.464 -17.776 -39.345 1.00 26.37 C +ATOM 1086 O PRO A 129 -10.241 -16.636 -38.978 1.00 36.71 O +ATOM 1087 N GLN A 130 -11.126 -18.046 -40.468 1.00 29.64 N +ATOM 1088 CA GLN A 130 -11.389 -16.987 -41.437 1.00 39.65 C +ATOM 1089 CB GLN A 130 -11.025 -17.420 -42.873 1.00 44.02 C +ATOM 1090 CG GLN A 130 -9.710 -18.198 -43.046 1.00 46.53 C +ATOM 1091 CD GLN A 130 -8.468 -17.585 -42.384 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -8.529 -16.625 -41.606 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.320 -18.169 -42.695 1.00 49.29 N +ATOM 1094 C GLN A 130 -12.803 -16.394 -41.366 1.00 40.56 C +ATOM 1095 O GLN A 130 -13.372 -15.991 -42.378 1.00 43.17 O +ATOM 1096 N SER A 131 -13.350 -16.326 -40.149 1.00 36.80 N +ATOM 1097 CA SER A 131 -14.344 -15.316 -39.798 1.00 34.27 C +ATOM 1098 CB SER A 131 -15.177 -15.744 -38.589 1.00 42.18 C +ATOM 1099 OG SER A 131 -14.416 -16.498 -37.658 1.00 46.33 O +ATOM 1100 C SER A 131 -13.600 -14.000 -39.521 1.00 33.35 C +ATOM 1101 O SER A 131 -14.235 -12.954 -39.321 1.00 24.86 O +ATOM 1102 N GLY A 132 -12.254 -14.077 -39.521 1.00 25.71 N +ATOM 1103 CA GLY A 132 -11.366 -12.940 -39.432 1.00 23.70 C +ATOM 1104 C GLY A 132 -11.239 -12.417 -38.009 1.00 30.35 C +ATOM 1105 O GLY A 132 -10.857 -11.264 -37.797 1.00 28.25 O +ATOM 1106 N ILE A 133 -11.572 -13.260 -37.027 1.00 25.82 N +ATOM 1107 CA ILE A 133 -11.446 -12.896 -35.631 1.00 31.87 C +ATOM 1108 CB ILE A 133 -12.849 -12.743 -34.957 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -12.801 -11.670 -33.873 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -13.755 -11.894 -32.709 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -13.388 -14.072 -34.425 1.00 34.59 C +ATOM 1112 C ILE A 133 -10.533 -13.937 -34.951 1.00 32.43 C +ATOM 1113 O ILE A 133 -10.728 -15.152 -35.095 1.00 27.54 O +ATOM 1114 N TYR A 134 -9.509 -13.450 -34.241 1.00 29.47 N +ATOM 1115 CA TYR A 134 -8.621 -14.312 -33.448 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.613 -15.040 -34.350 1.00 25.02 C +ATOM 1117 CG TYR A 134 -6.583 -14.107 -34.925 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -6.905 -13.253 -35.990 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -5.964 -12.382 -36.519 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -4.686 -12.353 -35.977 1.00 37.28 C +ATOM 1121 OH TYR A 134 -3.757 -11.496 -36.505 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -4.340 -13.187 -34.925 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -5.282 -14.058 -34.406 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.893 -13.491 -32.383 1.00 22.78 C +ATOM 1125 O TYR A 134 -7.861 -12.269 -32.433 1.00 15.53 O +ATOM 1126 N LEU A 135 -7.321 -14.186 -31.401 1.00 20.92 N +ATOM 1127 CA LEU A 135 -6.534 -13.553 -30.353 1.00 20.28 C +ATOM 1128 CB LEU A 135 -7.028 -14.004 -28.972 1.00 17.40 C +ATOM 1129 CG LEU A 135 -6.514 -13.174 -27.803 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -6.937 -11.714 -27.899 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -6.991 -13.780 -26.499 1.00 18.34 C +ATOM 1132 C LEU A 135 -5.079 -13.948 -30.614 1.00 19.49 C +ATOM 1133 O LEU A 135 -4.699 -15.108 -30.433 1.00 21.86 O +ATOM 1134 N GLN A 136 -4.276 -12.980 -31.071 1.00 18.05 N +ATOM 1135 CA GLN A 136 -2.855 -13.180 -31.288 1.00 17.10 C +ATOM 1136 CB GLN A 136 -2.180 -11.867 -31.778 1.00 26.31 C +ATOM 1137 CG GLN A 136 -0.952 -12.070 -32.666 1.00 39.12 C +ATOM 1138 CD GLN A 136 -0.347 -10.782 -33.262 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -0.448 -10.549 -34.470 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 0.308 -9.969 -32.432 1.00 44.72 N +ATOM 1141 C GLN A 136 -2.223 -13.730 -29.975 1.00 11.77 C +ATOM 1142 O GLN A 136 -2.556 -13.291 -28.867 1.00 9.83 O +ATOM 1143 N ARG A 137 -1.373 -14.744 -30.132 1.00 9.13 N +ATOM 1144 CA ARG A 137 -0.495 -15.314 -29.111 1.00 9.26 C +ATOM 1145 CB ARG A 137 0.800 -15.704 -29.813 1.00 9.45 C +ATOM 1146 CG ARG A 137 0.732 -17.014 -30.553 1.00 7.99 C +ATOM 1147 CD ARG A 137 2.071 -17.263 -31.200 1.00 8.29 C +ATOM 1148 NE ARG A 137 2.145 -18.649 -31.559 1.00 7.81 N +ATOM 1149 CZ ARG A 137 3.209 -19.239 -32.033 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 4.332 -18.584 -32.246 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 3.140 -20.517 -32.283 1.00 7.93 N +ATOM 1152 C ARG A 137 -0.118 -14.402 -27.957 1.00 9.30 C +ATOM 1153 O ARG A 137 -0.435 -14.651 -26.786 1.00 7.70 O +ATOM 1154 N GLY A 138 0.580 -13.320 -28.306 1.00 10.91 N +ATOM 1155 CA GLY A 138 0.953 -12.307 -27.356 1.00 11.21 C +ATOM 1156 C GLY A 138 -0.191 -11.922 -26.484 1.00 11.70 C +ATOM 1157 O GLY A 138 -0.146 -12.069 -25.278 1.00 13.34 O +ATOM 1158 N LEU A 139 -1.253 -11.407 -27.097 1.00 14.08 N +ATOM 1159 CA LEU A 139 -2.358 -10.968 -26.318 1.00 18.01 C +ATOM 1160 CB LEU A 139 -3.413 -10.202 -27.144 1.00 28.25 C +ATOM 1161 CG LEU A 139 -3.097 -8.723 -27.426 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -2.734 -7.993 -26.140 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -1.984 -8.573 -28.462 1.00 43.14 C +ATOM 1164 C LEU A 139 -2.990 -12.082 -25.544 1.00 12.45 C +ATOM 1165 O LEU A 139 -3.573 -11.814 -24.510 1.00 12.20 O +ATOM 1166 N ILE A 140 -2.946 -13.317 -26.056 1.00 12.62 N +ATOM 1167 CA ILE A 140 -3.577 -14.387 -25.291 1.00 18.00 C +ATOM 1168 CB ILE A 140 -3.993 -15.656 -26.067 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -4.476 -16.800 -25.100 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -5.674 -16.528 -24.162 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -2.887 -16.154 -26.946 1.00 31.26 C +ATOM 1172 C ILE A 140 -2.757 -14.716 -24.071 1.00 14.01 C +ATOM 1173 O ILE A 140 -3.339 -15.009 -23.034 1.00 12.52 O +ATOM 1174 N ILE A 141 -1.424 -14.601 -24.169 1.00 10.25 N +ATOM 1175 CA ILE A 141 -0.623 -14.664 -22.963 1.00 9.31 C +ATOM 1176 CB ILE A 141 0.851 -14.452 -23.248 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 1.394 -15.732 -23.874 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 1.207 -16.942 -22.980 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 1.590 -13.997 -21.975 1.00 8.46 C +ATOM 1180 C ILE A 141 -1.130 -13.647 -21.932 1.00 8.65 C +ATOM 1181 O ILE A 141 -1.367 -13.995 -20.758 1.00 8.01 O +ATOM 1182 N PHE A 142 -1.343 -12.405 -22.369 1.00 7.17 N +ATOM 1184 CA PHE A 142 -1.687 -11.367 -21.429 1.00 6.50 C +ATOM 1186 CB PHE A 142 -1.398 -9.987 -22.018 1.00 6.27 C +ATOM 1188 CG PHE A 142 0.062 -9.756 -22.301 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 0.992 -9.689 -21.258 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 2.325 -9.484 -21.517 1.00 5.81 C +ATOM 1194 CZ PHE A 142 2.756 -9.369 -22.811 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 1.872 -9.432 -23.855 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 0.539 -9.640 -23.610 1.00 6.58 C +ATOM 1200 C PHE A 142 -3.108 -11.565 -20.914 1.00 7.08 C +ATOM 1202 O PHE A 142 -3.420 -11.250 -19.736 1.00 6.64 O +ATOM 1204 N ALA A 143 -3.977 -12.135 -21.761 1.00 7.18 N +ATOM 1205 CA ALA A 143 -5.318 -12.461 -21.313 1.00 7.45 C +ATOM 1206 CB ALA A 143 -6.216 -12.928 -22.456 1.00 8.30 C +ATOM 1207 C ALA A 143 -5.228 -13.538 -20.247 1.00 8.58 C +ATOM 1208 O ALA A 143 -5.854 -13.469 -19.172 1.00 8.72 O +ATOM 1209 N LEU A 144 -4.415 -14.544 -20.548 1.00 8.93 N +ATOM 1210 CA LEU A 144 -4.227 -15.637 -19.654 1.00 10.41 C +ATOM 1211 CB LEU A 144 -3.434 -16.694 -20.373 1.00 9.30 C +ATOM 1212 CG LEU A 144 -3.244 -17.993 -19.619 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -4.554 -18.693 -19.277 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -2.320 -18.886 -20.458 1.00 12.97 C +ATOM 1215 C LEU A 144 -3.642 -15.190 -18.254 1.00 10.09 C +ATOM 1216 O LEU A 144 -4.113 -15.624 -17.197 1.00 9.09 O +ATOM 1217 N ILE A 145 -2.651 -14.296 -18.264 1.00 9.56 N +ATOM 1218 CA ILE A 145 -2.120 -13.727 -17.030 1.00 9.18 C +ATOM 1219 CB ILE A 145 -0.899 -12.811 -17.336 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 0.327 -13.638 -17.742 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 1.454 -12.817 -18.303 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -0.486 -11.987 -16.141 1.00 9.74 C +ATOM 1223 C ILE A 145 -3.228 -12.977 -16.242 1.00 10.93 C +ATOM 1224 O ILE A 145 -3.312 -13.092 -15.021 1.00 9.25 O +ATOM 1225 N TRP A 146 -4.065 -12.209 -16.954 1.00 12.33 N +ATOM 1226 CA TRP A 146 -5.165 -11.463 -16.341 1.00 15.03 C +ATOM 1227 CB TRP A 146 -5.926 -10.645 -17.405 1.00 16.66 C +ATOM 1228 CG TRP A 146 -6.656 -9.479 -16.799 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.021 -9.261 -16.742 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -8.269 -8.080 -16.061 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -7.069 -7.536 -15.674 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -6.043 -8.385 -16.126 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -4.705 -8.038 -15.866 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -4.440 -6.866 -15.164 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -5.488 -6.042 -14.737 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -6.803 -6.364 -14.977 1.00 32.56 C +ATOM 1237 C TRP A 146 -6.123 -12.422 -15.606 1.00 13.29 C +ATOM 1238 O TRP A 146 -6.528 -12.190 -14.466 1.00 11.57 O +ATOM 1239 N ILE A 147 -6.422 -13.539 -16.260 1.00 12.37 N +ATOM 1240 CA ILE A 147 -7.304 -14.563 -15.705 1.00 13.81 C +ATOM 1241 CB ILE A 147 -7.634 -15.622 -16.786 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -8.498 -15.007 -17.903 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -8.600 -15.904 -19.118 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -8.363 -16.803 -16.192 1.00 13.86 C +ATOM 1245 C ILE A 147 -6.669 -15.201 -14.471 1.00 11.85 C +ATOM 1246 O ILE A 147 -7.312 -15.395 -13.473 1.00 11.58 O +ATOM 1247 N VAL A 148 -5.375 -15.519 -14.553 1.00 13.87 N +ATOM 1248 CA VAL A 148 -4.644 -16.047 -13.408 1.00 12.37 C +ATOM 1249 CB VAL A 148 -3.196 -16.394 -13.783 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -2.410 -16.828 -12.555 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -3.177 -17.526 -14.817 1.00 14.45 C +ATOM 1252 C VAL A 148 -4.671 -15.060 -12.224 1.00 12.18 C +ATOM 1253 O VAL A 148 -4.814 -15.468 -11.067 1.00 10.26 O +ATOM 1254 N ALA A 149 -4.504 -13.764 -12.515 1.00 12.37 N +ATOM 1255 CA ALA A 149 -4.485 -12.731 -11.482 1.00 13.92 C +ATOM 1256 CB ALA A 149 -4.332 -11.358 -12.103 1.00 12.52 C +ATOM 1257 C ALA A 149 -5.803 -12.783 -10.692 1.00 19.91 C +ATOM 1258 O ALA A 149 -5.806 -12.798 -9.442 1.00 18.95 O +ATOM 1259 N GLY A 150 -6.904 -12.810 -11.450 1.00 15.29 N +ATOM 1260 CA GLY A 150 -8.256 -12.875 -10.905 1.00 21.90 C +ATOM 1261 C GLY A 150 -8.462 -14.137 -10.087 1.00 21.19 C +ATOM 1262 O GLY A 150 -8.948 -14.061 -8.953 1.00 20.08 O +ATOM 1263 N TRP A 151 -8.021 -15.281 -10.620 1.00 14.25 N +ATOM 1264 CA TRP A 151 -8.285 -16.548 -9.971 1.00 16.10 C +ATOM 1265 CB TRP A 151 -7.849 -17.741 -10.846 1.00 21.32 C +ATOM 1266 CG TRP A 151 -8.320 -19.007 -10.245 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -7.578 -19.968 -9.604 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -8.394 -20.970 -9.142 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -9.698 -20.649 -9.435 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -9.687 -19.411 -10.128 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -10.910 -18.852 -10.556 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -12.084 -19.528 -10.276 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -12.068 -20.764 -9.582 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -10.892 -21.337 -9.155 1.00 47.28 C +ATOM 1275 C TRP A 151 -7.602 -16.632 -8.587 1.00 16.03 C +ATOM 1276 O TRP A 151 -8.180 -17.050 -7.605 1.00 20.42 O +ATOM 1277 N PHE A 152 -6.337 -16.236 -8.530 1.00 13.13 N +ATOM 1278 CA PHE A 152 -5.568 -16.298 -7.331 1.00 9.38 C +ATOM 1279 CB PHE A 152 -4.131 -16.685 -7.684 1.00 8.08 C +ATOM 1280 CG PHE A 152 -3.997 -18.078 -8.166 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -3.984 -19.115 -7.276 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -3.852 -20.424 -7.715 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -3.762 -20.691 -9.073 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -3.811 -19.642 -9.976 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -3.918 -18.345 -9.514 1.00 6.21 C +ATOM 1286 C PHE A 152 -5.635 -14.979 -6.574 1.00 9.61 C +ATOM 1287 O PHE A 152 -4.940 -14.804 -5.640 1.00 10.68 O +ATOM 1288 N ASP A 153 -6.525 -14.074 -6.975 1.00 15.13 N +ATOM 1289 CA ASP A 153 -6.747 -12.808 -6.286 1.00 18.45 C +ATOM 1290 CB ASP A 153 -7.506 -12.931 -4.933 1.00 27.46 C +ATOM 1291 CG ASP A 153 -8.097 -11.538 -4.468 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -8.341 -10.676 -5.365 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -8.270 -11.283 -3.243 1.00 24.69 O +ATOM 1294 C ASP A 153 -5.471 -12.050 -6.061 1.00 15.88 C +ATOM 1295 O ASP A 153 -5.151 -11.663 -4.951 1.00 13.39 O +ATOM 1296 N LEU A 154 -4.760 -11.785 -7.155 1.00 15.14 N +ATOM 1297 CA LEU A 154 -3.514 -11.056 -7.073 1.00 16.65 C +ATOM 1298 CB LEU A 154 -2.612 -11.488 -8.238 1.00 12.61 C +ATOM 1299 CG LEU A 154 -2.263 -12.991 -8.228 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -1.329 -13.348 -9.400 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -1.650 -13.412 -6.917 1.00 8.03 C +ATOM 1302 C LEU A 154 -3.761 -9.533 -6.979 1.00 17.35 C +ATOM 1303 O LEU A 154 -2.843 -8.766 -6.906 1.00 22.93 O +ATOM 1304 N PHE A 155 -5.027 -9.135 -6.885 1.00 24.98 N +ATOM 1305 CA PHE A 155 -5.470 -7.740 -6.884 1.00 33.79 C +ATOM 1306 CB PHE A 155 -6.689 -7.627 -7.772 1.00 27.67 C +ATOM 1307 CG PHE A 155 -6.377 -7.767 -9.235 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -5.379 -6.989 -9.829 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -5.117 -7.087 -11.181 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -5.853 -7.959 -11.966 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -6.850 -8.742 -11.391 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -7.114 -8.641 -10.031 1.00 34.21 C +ATOM 1313 C PHE A 155 -5.867 -7.217 -5.521 1.00 37.83 C +ATOM 1314 O PHE A 155 -5.827 -7.962 -4.538 1.00 28.41 O +ATOM 1315 N GLY A 156 -6.246 -5.927 -5.491 1.00 38.40 N +ATOM 1316 CA GLY A 156 -6.743 -5.242 -4.312 1.00 35.24 C +ATOM 1317 C GLY A 156 -7.885 -5.944 -3.584 1.00 26.60 C +ATOM 1318 O GLY A 156 -7.692 -6.539 -2.549 1.00 47.21 O +ATOM 1319 N MET A 157 -9.090 -5.860 -4.128 1.00 24.95 N +ATOM 1320 CA MET A 157 -10.263 -6.349 -3.437 1.00 28.59 C +ATOM 1321 CB MET A 157 -11.453 -5.410 -3.658 1.00 39.60 C +ATOM 1322 CG MET A 157 -12.231 -5.493 -4.980 1.00 47.28 C +ATOM 1323 SD MET A 157 -13.973 -4.938 -4.761 1.00 49.14 S +ATOM 1324 CE MET A 157 -13.735 -3.291 -4.057 1.00 47.84 C +ATOM 1325 C MET A 157 -10.567 -7.774 -3.852 1.00 26.25 C +ATOM 1326 O MET A 157 -9.877 -8.309 -4.675 1.00 24.50 O +ATOM 1327 N SER A 158 -11.611 -8.377 -3.270 1.00 24.79 N +ATOM 1328 CA SER A 158 -12.082 -9.692 -3.678 1.00 25.23 C +ATOM 1329 CB SER A 158 -13.214 -10.140 -2.787 1.00 32.87 C +ATOM 1330 OG SER A 158 -12.793 -10.084 -1.468 1.00 32.23 O +ATOM 1331 C SER A 158 -12.558 -9.746 -5.137 1.00 23.56 C +ATOM 1332 O SER A 158 -13.095 -8.784 -5.698 1.00 17.24 O +ATOM 1333 N MET A 159 -12.343 -10.901 -5.756 1.00 22.08 N +ATOM 1334 CA MET A 159 -12.718 -11.084 -7.133 1.00 24.12 C +ATOM 1335 CB MET A 159 -11.666 -11.937 -7.868 1.00 30.07 C +ATOM 1336 CG MET A 159 -10.327 -11.232 -8.061 1.00 25.31 C +ATOM 1337 SD MET A 159 -10.370 -9.941 -9.302 1.00 33.07 S +ATOM 1338 CE MET A 159 -10.441 -8.513 -8.200 1.00 33.31 C +ATOM 1339 C MET A 159 -14.078 -11.753 -7.142 1.00 18.37 C +ATOM 1340 O MET A 159 -14.401 -12.579 -6.280 1.00 14.74 O +ATOM 1341 N ALA A 160 -14.892 -11.390 -8.128 1.00 17.85 N +ATOM 1342 CA ALA A 160 -16.168 -12.063 -8.337 1.00 14.05 C +ATOM 1343 CB ALA A 160 -17.110 -11.125 -9.115 1.00 15.78 C +ATOM 1344 C ALA A 160 -15.809 -13.324 -9.119 1.00 12.19 C +ATOM 1345 O ALA A 160 -15.754 -13.298 -10.337 1.00 12.07 O +ATOM 1346 N ASN A 161 -15.521 -14.414 -8.398 1.00 13.53 N +ATOM 1347 CA ASN A 161 -15.058 -15.658 -9.016 1.00 19.51 C +ATOM 1348 CB ASN A 161 -14.528 -16.665 -8.008 1.00 17.89 C +ATOM 1349 CG ASN A 161 -13.295 -16.164 -7.275 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -13.261 -16.174 -6.051 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -12.284 -15.727 -8.010 1.00 23.40 N +ATOM 1352 C ASN A 161 -16.148 -16.328 -9.836 1.00 17.15 C +ATOM 1353 O ASN A 161 -15.869 -16.893 -10.893 1.00 12.86 O +ATOM 1354 N GLY A 162 -17.392 -16.188 -9.377 1.00 13.45 N +ATOM 1355 CA GLY A 162 -18.525 -16.754 -10.078 1.00 13.72 C +ATOM 1356 C GLY A 162 -18.781 -16.015 -11.358 1.00 11.46 C +ATOM 1357 O GLY A 162 -18.979 -16.632 -12.372 1.00 13.83 O +ATOM 1358 N ALA A 163 -18.791 -14.680 -11.304 1.00 12.52 N +ATOM 1359 CA ALA A 163 -18.925 -13.882 -12.512 1.00 12.63 C +ATOM 1360 CB ALA A 163 -18.895 -12.381 -12.225 1.00 14.33 C +ATOM 1361 C ALA A 163 -17.818 -14.238 -13.510 1.00 15.22 C +ATOM 1362 O ALA A 163 -18.060 -14.217 -14.715 1.00 15.81 O +ATOM 1363 N HIS A 164 -16.588 -14.476 -13.023 1.00 16.26 N +ATOM 1364 CA HIS A 164 -15.468 -14.737 -13.942 1.00 13.79 C +ATOM 1365 CB HIS A 164 -14.120 -14.688 -13.243 1.00 13.42 C +ATOM 1366 CG HIS A 164 -13.655 -13.301 -12.946 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -12.754 -13.016 -11.946 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -12.510 -11.720 -11.927 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -13.262 -11.142 -12.844 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -13.988 -12.112 -13.497 1.00 16.05 C +ATOM 1371 C HIS A 164 -15.638 -16.055 -14.678 1.00 15.17 C +ATOM 1372 O HIS A 164 -15.452 -16.110 -15.904 1.00 9.69 O +ATOM 1373 N ILE A 165 -15.983 -17.106 -13.918 1.00 14.29 N +ATOM 1374 CA ILE A 165 -16.095 -18.444 -14.444 1.00 16.34 C +ATOM 1375 CB ILE A 165 -16.367 -19.507 -13.357 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -15.286 -19.530 -12.295 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -15.763 -20.142 -10.977 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -16.426 -20.898 -13.977 1.00 25.23 C +ATOM 1379 C ILE A 165 -17.276 -18.459 -15.421 1.00 13.49 C +ATOM 1380 O ILE A 165 -17.173 -18.978 -16.511 1.00 14.19 O +ATOM 1381 N ALA A 166 -18.401 -17.872 -15.012 1.00 11.61 N +ATOM 1382 CA ALA A 166 -19.587 -17.847 -15.836 1.00 12.97 C +ATOM 1383 CB ALA A 166 -20.725 -17.302 -15.030 1.00 13.37 C +ATOM 1384 C ALA A 166 -19.393 -17.069 -17.182 1.00 12.77 C +ATOM 1385 O ALA A 166 -19.821 -17.522 -18.243 1.00 16.05 O +ATOM 1386 N GLY A 167 -18.704 -15.935 -17.124 1.00 11.83 N +ATOM 1387 CA GLY A 167 -18.468 -15.080 -18.274 1.00 12.25 C +ATOM 1388 C GLY A 167 -17.572 -15.815 -19.252 1.00 16.57 C +ATOM 1389 O GLY A 167 -17.886 -15.913 -20.432 1.00 15.94 O +ATOM 1390 N LEU A 168 -16.481 -16.396 -18.740 1.00 16.37 N +ATOM 1391 CA LEU A 168 -15.550 -17.161 -19.584 1.00 18.66 C +ATOM 1392 CB LEU A 168 -14.395 -17.743 -18.762 1.00 16.91 C +ATOM 1393 CG LEU A 168 -13.295 -18.532 -19.496 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -12.674 -17.710 -20.624 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -12.235 -18.914 -18.477 1.00 18.17 C +ATOM 1396 C LEU A 168 -16.306 -18.303 -20.287 1.00 17.50 C +ATOM 1397 O LEU A 168 -16.173 -18.465 -21.486 1.00 15.54 O +ATOM 1398 N ALA A 169 -17.095 -19.065 -19.514 1.00 15.54 N +ATOM 1399 CA ALA A 169 -17.919 -20.149 -20.029 1.00 19.82 C +ATOM 1400 CB ALA A 169 -18.741 -20.769 -18.908 1.00 20.15 C +ATOM 1401 C ALA A 169 -18.851 -19.703 -21.155 1.00 17.04 C +ATOM 1402 O ALA A 169 -18.967 -20.373 -22.157 1.00 18.40 O +ATOM 1403 N VAL A 170 -19.549 -18.585 -20.943 1.00 16.33 N +ATOM 1404 CA VAL A 170 -20.476 -18.047 -21.933 1.00 15.30 C +ATOM 1405 CB VAL A 170 -21.156 -16.777 -21.399 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 -21.754 -15.942 -22.516 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 -22.234 -17.140 -20.438 1.00 17.75 C +ATOM 1408 C VAL A 170 -19.749 -17.738 -23.264 1.00 12.50 C +ATOM 1409 O VAL A 170 -20.235 -18.076 -24.332 1.00 15.58 O +ATOM 1410 N GLY A 171 -18.588 -17.095 -23.165 1.00 12.65 N +ATOM 1411 CA GLY A 171 -17.770 -16.739 -24.302 1.00 12.55 C +ATOM 1412 C GLY A 171 -17.355 -17.965 -25.110 1.00 12.05 C +ATOM 1413 O GLY A 171 -17.502 -18.021 -26.329 1.00 10.67 O +ATOM 1414 N LEU A 172 -16.791 -18.948 -24.411 1.00 12.60 N +ATOM 1415 CA LEU A 172 -16.343 -20.188 -25.033 1.00 10.75 C +ATOM 1416 CB LEU A 172 -15.728 -21.126 -24.001 1.00 10.43 C +ATOM 1417 CG LEU A 172 -14.402 -20.604 -23.405 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -13.891 -21.583 -22.350 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -13.297 -20.267 -24.398 1.00 9.57 C +ATOM 1420 C LEU A 172 -17.500 -20.878 -25.753 1.00 10.15 C +ATOM 1421 O LEU A 172 -17.354 -21.344 -26.876 1.00 11.39 O +ATOM 1422 N ALA A 173 -18.661 -20.902 -25.100 1.00 11.33 N +ATOM 1423 CA ALA A 173 -19.839 -21.608 -25.573 1.00 11.38 C +ATOM 1424 CB ALA A 173 -20.878 -21.715 -24.445 1.00 11.60 C +ATOM 1425 C ALA A 173 -20.454 -20.953 -26.806 1.00 10.08 C +ATOM 1426 O ALA A 173 -20.920 -21.632 -27.696 1.00 6.75 O +ATOM 1427 N MET A 174 -20.518 -19.618 -26.803 1.00 11.63 N +ATOM 1428 CA MET A 174 -20.998 -18.894 -27.960 1.00 11.25 C +ATOM 1429 CB MET A 174 -21.244 -17.431 -27.629 1.00 12.02 C +ATOM 1430 CG MET A 174 -22.491 -17.213 -26.769 1.00 15.32 C +ATOM 1431 SD MET A 174 -22.652 -15.460 -26.317 1.00 15.04 S +ATOM 1432 CE MET A 174 -23.567 -14.852 -27.762 1.00 12.84 C +ATOM 1433 C MET A 174 -20.051 -19.042 -29.156 1.00 11.07 C +ATOM 1434 O MET A 174 -20.509 -19.108 -30.327 1.00 9.35 O +ATOM 1435 N ALA A 175 -18.741 -19.094 -28.864 1.00 11.79 N +ATOM 1436 CA ALA A 175 -17.715 -19.291 -29.891 1.00 11.52 C +ATOM 1437 CB ALA A 175 -16.307 -19.138 -29.304 1.00 12.52 C +ATOM 1438 C ALA A 175 -17.893 -20.652 -30.563 1.00 10.15 C +ATOM 1439 O ALA A 175 -17.836 -20.754 -31.767 1.00 9.36 O +ATOM 1440 N PHE A 176 -18.119 -21.676 -29.737 1.00 10.78 N +ATOM 1441 CA PHE A 176 -18.413 -23.045 -30.134 1.00 11.72 C +ATOM 1442 CB PHE A 176 -18.642 -23.920 -28.884 1.00 14.22 C +ATOM 1443 CG PHE A 176 -18.909 -25.340 -29.204 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -17.870 -26.236 -29.315 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -18.116 -27.543 -29.660 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -19.408 -27.968 -29.904 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 -20.453 -27.086 -29.800 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 -20.200 -25.775 -29.451 1.00 23.15 C +ATOM 1449 C PHE A 176 -19.637 -23.109 -31.031 1.00 11.73 C +ATOM 1450 O PHE A 176 -19.594 -23.676 -32.137 1.00 11.14 O +ATOM 1451 N VAL A 177 -20.732 -22.514 -30.553 1.00 10.67 N +ATOM 1452 CA VAL A 177 -21.972 -22.474 -31.299 1.00 11.71 C +ATOM 1453 CB VAL A 177 -23.124 -21.816 -30.475 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 -24.351 -21.503 -31.364 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 -23.500 -22.709 -29.270 1.00 16.83 C +ATOM 1456 C VAL A 177 -21.757 -21.749 -32.628 1.00 8.91 C +ATOM 1457 O VAL A 177 -22.110 -22.269 -33.632 1.00 6.73 O +ATOM 1458 N ASP A 178 -21.140 -20.562 -32.602 1.00 9.91 N +ATOM 1459 CA ASP A 178 -20.860 -19.807 -33.830 1.00 10.55 C +ATOM 1460 CB ASP A 178 -20.314 -18.443 -33.541 1.00 9.42 C +ATOM 1461 CG ASP A 178 -21.311 -17.551 -32.848 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 -22.482 -17.969 -32.724 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 -20.942 -16.404 -32.443 1.00 9.20 O +ATOM 1464 C ASP A 178 -19.914 -20.516 -34.810 1.00 11.79 C +ATOM 1465 O ASP A 178 -19.980 -20.263 -36.008 1.00 11.79 O +ATOM 1466 N SER A 179 -19.083 -21.427 -34.293 1.00 15.85 N +ATOM 1467 CA SER A 179 -18.131 -22.198 -35.089 1.00 17.77 C +ATOM 1468 CB SER A 179 -17.040 -22.742 -34.190 1.00 18.19 C +ATOM 1469 OG SER A 179 -16.232 -21.704 -33.711 1.00 25.24 O +ATOM 1470 C SER A 179 -18.751 -23.394 -35.791 1.00 25.25 C +ATOM 1471 O SER A 179 -18.105 -24.032 -36.648 1.00 25.62 O +ATOM 1472 N LEU A 180 -19.975 -23.760 -35.399 1.00 26.63 N +ATOM 1473 CA LEU A 180 -20.624 -24.883 -36.046 1.00 29.49 C +ATOM 1474 CB LEU A 180 -21.762 -25.421 -35.188 1.00 27.08 C +ATOM 1475 CG LEU A 180 -21.310 -26.146 -33.923 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 -22.537 -26.576 -33.144 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 -20.447 -27.352 -34.239 1.00 25.61 C +ATOM 1478 C LEU A 180 -21.059 -24.472 -37.466 1.00 36.61 C +ATOM 1479 O LEU A 180 -20.985 -25.292 -38.408 1.00 32.04 O +ATOM 1480 N ASN A 181 -21.451 -23.195 -37.611 1.00 38.78 N +ATOM 1481 CA ASN A 181 -21.787 -22.589 -38.906 1.00 54.97 C +ATOM 1482 CB ASN A 181 -22.483 -21.225 -38.728 1.00 67.37 C +ATOM 1483 CG ASN A 181 -23.631 -21.253 -37.711 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 -24.784 -21.543 -38.050 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 -23.319 -20.910 -36.463 1.00 60.66 N +ATOM 1486 C ASN A 181 -20.538 -22.395 -39.803 1.00 76.54 C +ATOM 1487 O ASN A 181 -19.536 -21.785 -39.371 1.00 63.45 O +ATOM 1488 N ALA A 182 -20.624 -22.914 -41.042 1.00 63.44 N +ATOM 1489 CA ALA A 182 -19.555 -22.886 -42.054 1.00 54.25 C +ATOM 1490 CB ALA A 182 -19.493 -21.529 -42.745 1.00 52.80 C +ATOM 1491 C ALA A 182 -18.185 -23.263 -41.489 1.00 57.61 C +ATOM 1492 O ALA A 182 -18.081 -24.122 -40.612 1.00 50.41 O +TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/input_A.fasta b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/input_A.fasta new file mode 100644 index 0000000..f5a93b3 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/input_A.fasta @@ -0,0 +1,2 @@ +>input_A +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/input_A.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/input_A.pdb new file mode 100644 index 0000000..ce38f3a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/input_A.pdb @@ -0,0 +1,1452 @@ +ATOM 1 N GLU A 1 -11.028 5.746 -37.310 1.00 43.35 N +ATOM 2 CA GLU A 1 -11.660 5.231 -36.061 1.00 55.59 C +ATOM 3 CB GLU A 1 -13.172 5.420 -36.133 1.00 53.53 C +ATOM 4 CG GLU A 1 -13.853 5.660 -34.801 1.00 34.05 C +ATOM 5 CD GLU A 1 -15.306 5.943 -35.034 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -16.062 4.963 -35.143 1.00 53.50 O +ATOM 7 OE2 GLU A 1 -15.691 7.128 -35.157 1.00 36.54 O +ATOM 8 C GLU A 1 -11.305 3.763 -35.795 1.00 46.53 C +ATOM 9 O GLU A 1 -10.191 3.336 -36.122 1.00 50.24 O +ATOM 10 N ARG A 2 -12.259 3.014 -35.221 1.00 38.93 N +ATOM 11 CA ARG A 2 -12.030 1.706 -34.590 1.00 54.74 C +ATOM 12 CB ARG A 2 -10.826 1.774 -33.603 1.00 50.45 C +ATOM 13 CG ARG A 2 -10.786 0.769 -32.445 1.00 57.12 C +ATOM 14 CD ARG A 2 -9.796 -0.375 -32.638 1.00 57.44 C +ATOM 15 NE ARG A 2 -10.273 -1.652 -32.072 1.00 52.68 N +ATOM 16 CZ ARG A 2 -9.692 -2.835 -32.301 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -8.591 -2.930 -33.062 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -10.191 -3.936 -31.764 1.00 28.66 N +ATOM 19 C ARG A 2 -13.339 1.255 -33.902 1.00 66.99 C +ATOM 20 O ARG A 2 -13.984 0.312 -34.361 1.00 85.13 O +ATOM 21 N ALA A 3 -13.720 1.949 -32.818 1.00 43.05 N +ATOM 22 CA ALA A 3 -14.920 1.643 -32.019 1.00 41.35 C +ATOM 23 CB ALA A 3 -14.865 2.391 -30.663 1.00 34.83 C +ATOM 24 C ALA A 3 -16.260 1.980 -32.735 1.00 29.58 C +ATOM 25 O ALA A 3 -16.581 3.165 -32.922 1.00 21.07 O +ATOM 26 N GLY A 4 -17.031 0.942 -33.099 1.00 20.97 N +ATOM 27 CA GLY A 4 -18.424 1.093 -33.472 1.00 16.58 C +ATOM 28 C GLY A 4 -19.279 1.634 -32.320 1.00 18.06 C +ATOM 29 O GLY A 4 -18.819 1.789 -31.180 1.00 16.28 O +ATOM 30 N PRO A 5 -20.584 1.890 -32.564 1.00 12.89 N +ATOM 31 CA PRO A 5 -21.440 2.520 -31.556 1.00 10.80 C +ATOM 32 CB PRO A 5 -22.793 2.697 -32.298 1.00 10.45 C +ATOM 33 CG PRO A 5 -22.723 1.727 -33.430 1.00 9.74 C +ATOM 34 CD PRO A 5 -21.288 1.576 -33.817 1.00 10.46 C +ATOM 35 C PRO A 5 -21.631 1.713 -30.297 1.00 11.27 C +ATOM 36 O PRO A 5 -21.805 2.300 -29.242 1.00 13.59 O +ATOM 37 N VAL A 6 -21.670 0.382 -30.393 1.00 9.93 N +ATOM 38 CA VAL A 6 -21.903 -0.402 -29.192 1.00 12.26 C +ATOM 39 CB VAL A 6 -22.267 -1.859 -29.504 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -22.352 -2.680 -28.221 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -23.582 -1.919 -30.282 1.00 17.43 C +ATOM 42 C VAL A 6 -20.649 -0.346 -28.331 1.00 10.99 C +ATOM 43 O VAL A 6 -20.721 -0.092 -27.128 1.00 8.01 O +ATOM 44 N THR A 7 -19.486 -0.556 -28.961 1.00 10.58 N +ATOM 45 CA THR A 7 -18.211 -0.402 -28.243 1.00 12.65 C +ATOM 46 CB THR A 7 -17.023 -0.546 -29.178 1.00 11.06 C +ATOM 47 OG1 THR A 7 -17.079 -1.854 -29.799 1.00 10.95 O +ATOM 48 CG2 THR A 7 -15.753 -0.391 -28.343 1.00 11.91 C +ATOM 49 C THR A 7 -18.123 0.932 -27.492 1.00 13.19 C +ATOM 50 O THR A 7 -17.774 0.984 -26.324 1.00 10.71 O +ATOM 51 N TRP A 8 -18.537 1.997 -28.185 1.00 13.70 N +ATOM 52 CA TRP A 8 -18.462 3.365 -27.698 1.00 14.00 C +ATOM 53 CB TRP A 8 -18.728 4.260 -28.886 1.00 11.57 C +ATOM 54 CG TRP A 8 -18.831 5.682 -28.664 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -19.861 6.478 -29.057 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -19.600 7.775 -28.773 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -18.374 7.857 -28.171 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -17.856 6.547 -28.098 1.00 20.29 C +ATOM 59 CE3 TRP A 8 -16.598 6.351 -27.535 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 -15.912 7.458 -27.032 1.00 29.87 C +ATOM 61 CH2 TRP A 8 -16.450 8.761 -27.127 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -17.674 8.981 -27.690 1.00 23.41 C +ATOM 63 C TRP A 8 -19.452 3.650 -26.576 1.00 11.19 C +ATOM 64 O TRP A 8 -19.106 4.243 -25.566 1.00 9.21 O +ATOM 65 N VAL A 9 -20.707 3.268 -26.783 1.00 10.48 N +ATOM 66 CA VAL A 9 -21.727 3.611 -25.837 1.00 13.92 C +ATOM 67 CB VAL A 9 -23.153 3.397 -26.386 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -24.179 3.428 -25.261 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -23.471 4.477 -27.383 1.00 20.11 C +ATOM 70 C VAL A 9 -21.470 2.915 -24.494 1.00 10.13 C +ATOM 71 O VAL A 9 -21.661 3.499 -23.473 1.00 7.20 O +ATOM 72 N MET A 10 -20.985 1.675 -24.521 1.00 10.15 N +ATOM 73 CA MET A 10 -20.664 0.997 -23.282 1.00 11.00 C +ATOM 74 CB MET A 10 -20.223 -0.414 -23.620 1.00 14.36 C +ATOM 75 CG MET A 10 -19.564 -1.170 -22.469 1.00 16.11 C +ATOM 76 SD MET A 10 -20.725 -1.497 -21.127 1.00 21.05 S +ATOM 77 CE MET A 10 -21.787 -2.724 -21.857 1.00 21.21 C +ATOM 78 C MET A 10 -19.540 1.742 -22.498 1.00 13.64 C +ATOM 79 O MET A 10 -19.565 1.770 -21.251 1.00 12.82 O +ATOM 80 N MET A 11 -18.522 2.247 -23.230 1.00 12.90 N +ATOM 81 CA MET A 11 -17.381 3.008 -22.650 1.00 14.44 C +ATOM 82 CB MET A 11 -16.332 3.335 -23.723 1.00 12.49 C +ATOM 83 CG MET A 11 -15.542 2.102 -24.136 1.00 14.38 C +ATOM 84 SD MET A 11 -14.409 2.240 -25.555 1.00 14.01 S +ATOM 85 CE MET A 11 -12.914 2.769 -24.707 1.00 15.48 C +ATOM 86 C MET A 11 -17.889 4.290 -21.992 1.00 13.69 C +ATOM 87 O MET A 11 -17.627 4.550 -20.827 1.00 13.74 O +ATOM 88 N ILE A 12 -18.663 5.057 -22.754 1.00 12.10 N +ATOM 89 CA ILE A 12 -19.306 6.246 -22.251 1.00 17.28 C +ATOM 90 CB ILE A 12 -20.241 6.822 -23.333 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -19.417 7.511 -24.389 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -20.238 7.899 -25.620 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -21.257 7.787 -22.733 1.00 23.33 C +ATOM 94 C ILE A 12 -20.109 5.934 -20.974 1.00 13.47 C +ATOM 95 O ILE A 12 -19.965 6.585 -19.940 1.00 14.37 O +ATOM 96 N ALA A 13 -20.958 4.911 -21.062 1.00 14.13 N +ATOM 97 CA ALA A 13 -21.818 4.508 -19.973 1.00 11.62 C +ATOM 98 CB ALA A 13 -22.698 3.371 -20.385 1.00 10.69 C +ATOM 99 C ALA A 13 -21.034 4.140 -18.716 1.00 13.08 C +ATOM 100 O ALA A 13 -21.401 4.557 -17.642 1.00 14.09 O +ATOM 101 N CYS A 14 -19.943 3.376 -18.869 1.00 12.24 N +ATOM 102 CA CYS A 14 -19.097 3.010 -17.727 1.00 14.03 C +ATOM 103 CB CYS A 14 -18.038 1.968 -18.160 1.00 12.92 C +ATOM 104 SG CYS A 14 -18.730 0.330 -18.396 1.00 12.25 S +ATOM 105 C CYS A 14 -18.395 4.238 -17.073 1.00 12.57 C +ATOM 106 O CYS A 14 -18.242 4.318 -15.843 1.00 9.48 O +ATOM 107 N VAL A 15 -17.987 5.190 -17.915 1.00 9.94 N +ATOM 108 CA VAL A 15 -17.331 6.370 -17.427 1.00 11.41 C +ATOM 109 CB VAL A 15 -16.645 7.124 -18.546 1.00 11.06 C +ATOM 110 CG1 VAL A 15 -16.127 8.433 -17.995 1.00 10.96 C +ATOM 111 CG2 VAL A 15 -15.492 6.259 -19.116 1.00 10.71 C +ATOM 112 C VAL A 15 -18.313 7.252 -16.655 1.00 13.34 C +ATOM 113 O VAL A 15 -18.021 7.700 -15.533 1.00 9.03 O +ATOM 114 N VAL A 16 -19.489 7.467 -17.243 1.00 13.58 N +ATOM 115 CA VAL A 16 -20.539 8.254 -16.575 1.00 18.01 C +ATOM 116 CB VAL A 16 -21.782 8.415 -17.479 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -22.943 8.990 -16.709 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -21.474 9.349 -18.628 1.00 15.20 C +ATOM 119 C VAL A 16 -20.907 7.633 -15.207 1.00 12.72 C +ATOM 120 O VAL A 16 -21.034 8.339 -14.222 1.00 10.60 O +ATOM 121 N VAL A 17 -21.093 6.309 -15.174 1.00 11.76 N +ATOM 122 CA VAL A 17 -21.417 5.647 -13.943 1.00 11.25 C +ATOM 123 CB VAL A 17 -21.792 4.185 -14.137 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -21.991 3.501 -12.758 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -23.072 4.076 -14.958 1.00 13.31 C +ATOM 126 C VAL A 17 -20.270 5.796 -12.905 1.00 10.41 C +ATOM 127 O VAL A 17 -20.516 6.054 -11.747 1.00 7.15 O +ATOM 128 N PHE A 18 -19.023 5.680 -13.368 1.00 9.81 N +ATOM 129 CA PHE A 18 -17.865 5.812 -12.502 1.00 8.70 C +ATOM 130 CB PHE A 18 -16.596 5.523 -13.320 1.00 9.07 C +ATOM 131 CG PHE A 18 -15.357 5.360 -12.473 1.00 9.17 C +ATOM 132 CD1 PHE A 18 -15.208 4.245 -11.642 1.00 9.97 C +ATOM 133 CE1 PHE A 18 -14.067 4.083 -10.869 1.00 11.77 C +ATOM 134 CZ PHE A 18 -13.077 5.039 -10.897 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -13.223 6.141 -11.730 1.00 12.88 C +ATOM 136 CD2 PHE A 18 -14.374 6.284 -12.509 1.00 9.87 C +ATOM 137 C PHE A 18 -17.806 7.196 -11.854 1.00 8.93 C +ATOM 138 O PHE A 18 -17.469 7.344 -10.677 1.00 9.10 O +ATOM 139 N ILE A 19 -18.101 8.232 -12.649 1.00 8.90 N +ATOM 140 CA ILE A 19 -18.159 9.587 -12.175 1.00 8.28 C +ATOM 141 CB ILE A 19 -18.435 10.553 -13.328 1.00 9.07 C +ATOM 142 CG1 ILE A 19 -17.195 10.650 -14.216 1.00 8.90 C +ATOM 143 CD1 ILE A 19 -17.381 11.547 -15.426 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -18.762 11.939 -12.794 1.00 9.09 C +ATOM 145 C ILE A 19 -19.238 9.749 -11.090 1.00 8.37 C +ATOM 146 O ILE A 19 -18.994 10.331 -10.007 1.00 7.02 O +ATOM 147 N ALA A 20 -20.427 9.220 -11.378 1.00 8.61 N +ATOM 148 CA ALA A 20 -21.519 9.247 -10.437 1.00 8.46 C +ATOM 149 CB ALA A 20 -22.711 8.516 -11.008 1.00 6.88 C +ATOM 150 C ALA A 20 -21.076 8.579 -9.111 1.00 9.83 C +ATOM 151 O ALA A 20 -21.442 9.044 -8.011 1.00 10.17 O +ATOM 152 N MET A 21 -20.339 7.460 -9.226 1.00 8.36 N +ATOM 153 CA MET A 21 -19.876 6.735 -8.085 1.00 7.84 C +ATOM 154 CB MET A 21 -19.253 5.396 -8.512 1.00 10.18 C +ATOM 155 CG MET A 21 -20.228 4.416 -9.109 1.00 9.75 C +ATOM 156 SD MET A 21 -19.506 2.866 -9.692 1.00 11.62 S +ATOM 157 CE MET A 21 -19.216 2.099 -8.089 1.00 11.65 C +ATOM 158 C MET A 21 -18.891 7.594 -7.289 1.00 8.45 C +ATOM 159 O MET A 21 -18.877 7.545 -6.054 1.00 9.99 O +ATOM 160 N GLN A 22 -18.068 8.406 -7.967 1.00 8.76 N +ATOM 161 CA GLN A 22 -17.092 9.267 -7.216 1.00 8.75 C +ATOM 162 CB GLN A 22 -15.963 9.856 -8.094 1.00 8.72 C +ATOM 163 CG GLN A 22 -15.186 8.869 -8.976 1.00 13.04 C +ATOM 164 CD GLN A 22 -14.890 7.522 -8.300 1.00 12.79 C +ATOM 165 OE1 GLN A 22 -14.155 7.480 -7.319 1.00 11.44 O +ATOM 166 NE2 GLN A 22 -15.478 6.427 -8.817 1.00 13.13 N +ATOM 167 C GLN A 22 -17.777 10.424 -6.464 1.00 8.93 C +ATOM 168 O GLN A 22 -17.309 10.854 -5.442 1.00 9.72 O +ATOM 169 N ILE A 23 -18.868 10.949 -7.016 1.00 8.82 N +ATOM 170 CA ILE A 23 -19.588 12.065 -6.435 1.00 8.84 C +ATOM 171 CB ILE A 23 -20.514 12.713 -7.501 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -19.681 13.332 -8.648 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -20.513 13.636 -9.886 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -21.428 13.761 -6.878 1.00 8.45 C +ATOM 175 C ILE A 23 -20.459 11.573 -5.287 1.00 8.69 C +ATOM 176 O ILE A 23 -20.423 12.087 -4.190 1.00 8.45 O +ATOM 177 N LEU A 24 -21.273 10.558 -5.576 1.00 9.04 N +ATOM 178 CA LEU A 24 -22.298 10.047 -4.672 1.00 9.19 C +ATOM 179 CB LEU A 24 -23.412 9.485 -5.527 1.00 9.90 C +ATOM 180 CG LEU A 24 -24.189 10.446 -6.432 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -25.287 9.691 -7.192 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -24.768 11.600 -5.601 1.00 13.72 C +ATOM 183 C LEU A 24 -21.794 8.934 -3.706 1.00 10.54 C +ATOM 184 O LEU A 24 -22.457 8.625 -2.690 1.00 10.70 O +ATOM 185 N GLY A 25 -20.642 8.324 -4.047 1.00 9.22 N +ATOM 186 CA GLY A 25 -20.122 7.175 -3.339 1.00 8.44 C +ATOM 187 C GLY A 25 -20.647 5.920 -4.015 1.00 7.11 C +ATOM 188 O GLY A 25 -21.712 5.896 -4.632 1.00 8.08 O +ATOM 189 N ASP A 26 -19.851 4.861 -3.954 1.00 7.41 N +ATOM 190 CA ASP A 26 -20.210 3.567 -4.547 1.00 8.57 C +ATOM 191 CB ASP A 26 -19.143 2.543 -4.199 1.00 8.77 C +ATOM 192 CG ASP A 26 -17.789 2.832 -4.875 1.00 11.15 C +ATOM 193 OD1 ASP A 26 -17.660 3.828 -5.668 1.00 9.80 O +ATOM 194 OD2 ASP A 26 -16.844 2.069 -4.550 1.00 13.47 O +ATOM 195 C ASP A 26 -21.564 2.994 -4.109 1.00 8.19 C +ATOM 196 O ASP A 26 -22.330 2.485 -4.923 1.00 7.73 O +ATOM 197 N GLN A 27 -21.860 3.088 -2.810 1.00 9.65 N +ATOM 199 CA GLN A 27 -23.002 2.356 -2.268 1.00 10.93 C +ATOM 201 CB GLN A 27 -22.862 1.994 -0.758 1.00 12.23 C +ATOM 203 CG GLN A 27 -22.007 2.844 0.196 1.00 14.65 C +ATOM 205 CD GLN A 27 -20.578 3.163 -0.253 1.00 13.37 C +ATOM 207 OE1 GLN A 27 -20.253 4.311 -0.459 1.00 10.98 O +ATOM 209 NE2 GLN A 27 -19.731 2.148 -0.390 1.00 18.13 N +ATOM 211 C GLN A 27 -24.357 3.011 -2.667 1.00 10.39 C +ATOM 213 O GLN A 27 -25.355 2.320 -2.836 1.00 8.26 O +ATOM 215 N GLU A 28 -24.363 4.337 -2.854 1.00 9.56 N +ATOM 216 CA GLU A 28 -25.536 5.051 -3.402 1.00 8.86 C +ATOM 217 CB GLU A 28 -25.319 6.553 -3.370 1.00 10.52 C +ATOM 218 CG GLU A 28 -26.465 7.373 -3.933 1.00 12.28 C +ATOM 219 CD GLU A 28 -27.768 7.144 -3.214 1.00 13.68 C +ATOM 220 OE1 GLU A 28 -27.776 6.862 -2.004 1.00 16.22 O +ATOM 221 OE2 GLU A 28 -28.797 7.252 -3.867 1.00 18.20 O +ATOM 222 C GLU A 28 -25.809 4.624 -4.832 1.00 7.50 C +ATOM 223 O GLU A 28 -26.946 4.480 -5.205 1.00 6.97 O +ATOM 224 N VAL A 29 -24.760 4.395 -5.624 1.00 7.10 N +ATOM 225 CA VAL A 29 -24.926 3.933 -6.988 1.00 7.74 C +ATOM 226 CB VAL A 29 -23.744 4.252 -7.934 1.00 7.94 C +ATOM 227 CG1 VAL A 29 -24.038 3.769 -9.369 1.00 8.07 C +ATOM 228 CG2 VAL A 29 -23.492 5.764 -7.993 1.00 8.53 C +ATOM 229 C VAL A 29 -25.325 2.450 -7.044 1.00 9.26 C +ATOM 230 O VAL A 29 -26.220 2.088 -7.812 1.00 11.33 O +ATOM 231 N MET A 30 -24.680 1.592 -6.254 1.00 10.79 N +ATOM 232 CA MET A 30 -25.169 0.203 -6.050 1.00 11.74 C +ATOM 233 CB MET A 30 -24.438 -0.479 -4.894 1.00 14.27 C +ATOM 234 CG MET A 30 -22.888 -0.677 -5.047 1.00 15.81 C +ATOM 235 SD MET A 30 -22.547 -2.371 -5.486 1.00 33.08 S +ATOM 236 CE MET A 30 -22.934 -2.160 -7.175 1.00 20.74 C +ATOM 237 C MET A 30 -26.697 0.167 -5.770 1.00 14.59 C +ATOM 238 O MET A 30 -27.444 -0.660 -6.368 1.00 12.77 O +ATOM 239 N LEU A 31 -27.184 1.070 -4.905 1.00 14.76 N +ATOM 240 CA LEU A 31 -28.628 1.126 -4.598 1.00 15.82 C +ATOM 241 CB LEU A 31 -29.024 2.350 -3.820 1.00 17.44 C +ATOM 242 CG LEU A 31 -28.803 2.421 -2.335 1.00 16.70 C +ATOM 243 CD1 LEU A 31 -29.737 3.519 -1.858 1.00 17.12 C +ATOM 244 CD2 LEU A 31 -29.092 1.116 -1.618 1.00 21.43 C +ATOM 245 C LEU A 31 -29.503 1.152 -5.829 1.00 14.45 C +ATOM 246 O LEU A 31 -30.577 0.548 -5.855 1.00 13.84 O +ATOM 247 N TRP A 32 -29.057 1.872 -6.850 1.00 12.40 N +ATOM 248 CA TRP A 32 -29.824 2.011 -8.082 1.00 14.56 C +ATOM 249 CB TRP A 32 -29.601 3.405 -8.719 1.00 18.78 C +ATOM 250 CG TRP A 32 -30.488 4.439 -8.053 1.00 32.68 C +ATOM 251 CD1 TRP A 32 -30.365 4.916 -6.776 1.00 39.08 C +ATOM 252 NE1 TRP A 32 -31.374 5.801 -6.500 1.00 42.94 N +ATOM 253 CE2 TRP A 32 -32.185 5.912 -7.598 1.00 50.90 C +ATOM 254 CD2 TRP A 32 -31.666 5.052 -8.596 1.00 45.18 C +ATOM 255 CE3 TRP A 32 -32.321 4.981 -9.838 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 -33.462 5.771 -10.041 1.00 57.42 C +ATOM 257 CH2 TRP A 32 -33.951 6.621 -9.023 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 -33.333 6.703 -7.803 1.00 59.24 C +ATOM 259 C TRP A 32 -29.563 0.914 -9.078 1.00 14.53 C +ATOM 260 O TRP A 32 -30.485 0.473 -9.750 1.00 15.15 O +ATOM 261 N LEU A 33 -28.296 0.494 -9.201 1.00 14.48 N +ATOM 262 CA LEU A 33 -27.879 -0.338 -10.340 1.00 13.03 C +ATOM 263 CB LEU A 33 -26.730 0.318 -11.054 1.00 11.82 C +ATOM 264 CG LEU A 33 -26.990 1.694 -11.666 1.00 15.06 C +ATOM 265 CD1 LEU A 33 -25.711 2.167 -12.338 1.00 16.02 C +ATOM 266 CD2 LEU A 33 -28.114 1.655 -12.676 1.00 17.26 C +ATOM 267 C LEU A 33 -27.483 -1.763 -10.008 1.00 12.50 C +ATOM 268 O LEU A 33 -27.185 -2.522 -10.903 1.00 14.24 O +ATOM 269 N ALA A 34 -27.378 -2.102 -8.722 1.00 11.25 N +ATOM 270 CA ALA A 34 -26.895 -3.423 -8.345 1.00 14.07 C +ATOM 271 CB ALA A 34 -26.512 -3.490 -6.881 1.00 12.90 C +ATOM 272 C ALA A 34 -27.969 -4.469 -8.661 1.00 10.89 C +ATOM 273 O ALA A 34 -29.153 -4.155 -8.719 1.00 9.58 O +ATOM 274 N TRP A 35 -27.523 -5.695 -8.889 1.00 9.03 N +ATOM 275 CA TRP A 35 -28.402 -6.866 -8.849 1.00 10.73 C +ATOM 276 CB TRP A 35 -27.527 -8.121 -8.712 1.00 8.48 C +ATOM 277 CG TRP A 35 -28.290 -9.422 -8.958 1.00 8.22 C +ATOM 278 CD1 TRP A 35 -29.048 -10.093 -8.055 1.00 7.83 C +ATOM 279 NE1 TRP A 35 -29.526 -11.215 -8.605 1.00 7.62 N +ATOM 280 CE2 TRP A 35 -29.134 -11.278 -9.916 1.00 7.64 C +ATOM 281 CD2 TRP A 35 -28.329 -10.178 -10.158 1.00 7.37 C +ATOM 282 CE3 TRP A 35 -27.770 -10.012 -11.440 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 -28.038 -10.986 -12.428 1.00 7.84 C +ATOM 284 CH2 TRP A 35 -28.820 -12.094 -12.131 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 -29.398 -12.254 -10.896 1.00 7.63 C +ATOM 286 C TRP A 35 -29.370 -6.786 -7.670 1.00 11.27 C +ATOM 287 O TRP A 35 -28.975 -6.401 -6.579 1.00 9.35 O +ATOM 288 N PRO A 36 -30.660 -7.172 -7.813 1.00 12.00 N +ATOM 289 CA PRO A 36 -31.622 -6.974 -6.730 1.00 11.46 C +ATOM 290 CB PRO A 36 -32.859 -7.678 -7.226 1.00 11.66 C +ATOM 291 CG PRO A 36 -32.707 -7.696 -8.706 1.00 13.54 C +ATOM 292 CD PRO A 36 -31.262 -7.773 -9.010 1.00 13.31 C +ATOM 293 C PRO A 36 -31.130 -7.578 -5.443 1.00 11.59 C +ATOM 294 O PRO A 36 -30.826 -8.759 -5.385 1.00 10.46 O +ATOM 295 N PHE A 37 -31.050 -6.751 -4.404 1.00 13.56 N +ATOM 296 CA PHE A 37 -30.533 -7.193 -3.115 1.00 14.55 C +ATOM 297 CB PHE A 37 -29.421 -6.249 -2.610 1.00 13.96 C +ATOM 298 CG PHE A 37 -29.737 -4.803 -2.785 1.00 11.55 C +ATOM 299 CD2 PHE A 37 -29.331 -4.127 -3.908 1.00 12.09 C +ATOM 300 CE2 PHE A 37 -29.672 -2.788 -4.098 1.00 11.27 C +ATOM 301 CZ PHE A 37 -30.374 -2.126 -3.132 1.00 11.14 C +ATOM 302 CE1 PHE A 37 -30.777 -2.798 -1.991 1.00 11.63 C +ATOM 303 CD1 PHE A 37 -30.473 -4.128 -1.833 1.00 12.46 C +ATOM 304 C PHE A 37 -31.668 -7.288 -2.133 1.00 13.37 C +ATOM 305 O PHE A 37 -31.471 -7.613 -0.993 1.00 14.81 O +ATOM 306 N ASP A 38 -32.881 -7.041 -2.611 1.00 17.05 N +ATOM 307 CA ASP A 38 -34.105 -7.173 -1.823 1.00 19.15 C +ATOM 308 CB ASP A 38 -34.521 -5.798 -1.325 1.00 20.34 C +ATOM 309 CG ASP A 38 -35.502 -5.877 -0.192 1.00 30.28 C +ATOM 310 OD1 ASP A 38 -35.165 -6.540 0.805 1.00 44.07 O +ATOM 311 OD2 ASP A 38 -36.610 -5.312 -0.298 1.00 34.29 O +ATOM 312 C ASP A 38 -35.190 -7.717 -2.747 1.00 15.90 C +ATOM 313 O ASP A 38 -35.229 -7.330 -3.916 1.00 16.79 O +ATOM 314 N PRO A 39 -36.134 -8.566 -2.261 1.00 20.32 N +ATOM 315 CA PRO A 39 -37.220 -9.073 -3.115 1.00 16.16 C +ATOM 316 CB PRO A 39 -38.126 -9.843 -2.149 1.00 15.98 C +ATOM 317 CG PRO A 39 -37.316 -10.062 -0.921 1.00 18.68 C +ATOM 318 CD PRO A 39 -36.207 -9.068 -0.873 1.00 17.52 C +ATOM 319 C PRO A 39 -38.044 -7.988 -3.774 1.00 16.16 C +ATOM 320 O PRO A 39 -38.499 -8.160 -4.903 1.00 21.77 O +ATOM 321 N THR A 40 -38.227 -6.862 -3.084 1.00 11.59 N +ATOM 322 CA THR A 40 -38.961 -5.770 -3.649 1.00 10.55 C +ATOM 323 CB THR A 40 -39.182 -4.681 -2.612 1.00 11.60 C +ATOM 324 OG1 THR A 40 -37.916 -4.212 -2.177 1.00 18.55 O +ATOM 325 CG2 THR A 40 -39.913 -5.200 -1.396 1.00 10.47 C +ATOM 326 C THR A 40 -38.307 -5.161 -4.913 1.00 12.17 C +ATOM 327 O THR A 40 -38.940 -4.355 -5.589 1.00 13.12 O +ATOM 328 N LEU A 41 -37.050 -5.525 -5.218 1.00 10.51 N +ATOM 329 CA LEU A 41 -36.331 -4.967 -6.367 1.00 11.95 C +ATOM 330 CB LEU A 41 -34.887 -4.568 -5.984 1.00 14.91 C +ATOM 331 CG LEU A 41 -34.749 -3.686 -4.690 1.00 17.34 C +ATOM 332 CD1 LEU A 41 -33.319 -3.312 -4.341 1.00 16.53 C +ATOM 333 CD2 LEU A 41 -35.579 -2.415 -4.783 1.00 15.46 C +ATOM 334 C LEU A 41 -36.330 -5.924 -7.558 1.00 12.84 C +ATOM 335 O LEU A 41 -35.772 -5.620 -8.617 1.00 11.38 O +ATOM 336 N LYS A 42 -36.970 -7.086 -7.372 1.00 12.67 N +ATOM 337 CA LYS A 42 -36.919 -8.166 -8.323 1.00 13.81 C +ATOM 338 CB LYS A 42 -37.632 -9.391 -7.748 1.00 16.24 C +ATOM 339 CG LYS A 42 -39.153 -9.260 -7.618 1.00 22.83 C +ATOM 340 CD LYS A 42 -39.754 -10.297 -6.648 1.00 21.04 C +ATOM 341 CE LYS A 42 -41.016 -9.785 -5.959 1.00 23.94 C +ATOM 342 NZ LYS A 42 -41.210 -10.441 -4.621 1.00 32.66 N +ATOM 343 C LYS A 42 -37.494 -7.740 -9.676 1.00 15.51 C +ATOM 344 O LYS A 42 -37.037 -8.228 -10.720 1.00 11.66 O +ATOM 345 N PHE A 43 -38.450 -6.795 -9.666 1.00 17.22 N +ATOM 346 CA PHE A 43 -39.059 -6.320 -10.917 1.00 20.93 C +ATOM 347 CB PHE A 43 -40.504 -5.935 -10.651 1.00 22.33 C +ATOM 348 CG PHE A 43 -41.324 -7.042 -10.025 1.00 20.58 C +ATOM 349 CD1 PHE A 43 -41.631 -8.188 -10.751 1.00 20.68 C +ATOM 350 CE1 PHE A 43 -42.398 -9.206 -10.203 1.00 24.15 C +ATOM 351 CZ PHE A 43 -42.872 -9.088 -8.902 1.00 26.39 C +ATOM 352 CE2 PHE A 43 -42.584 -7.939 -8.163 1.00 32.87 C +ATOM 353 CD2 PHE A 43 -41.801 -6.928 -8.723 1.00 28.63 C +ATOM 354 C PHE A 43 -38.305 -5.215 -11.694 1.00 27.18 C +ATOM 355 O PHE A 43 -38.629 -4.937 -12.862 1.00 25.90 O +ATOM 356 N GLU A 44 -37.260 -4.656 -11.067 1.00 22.49 N +ATOM 357 CA GLU A 44 -36.445 -3.586 -11.638 1.00 15.89 C +ATOM 358 CB GLU A 44 -35.821 -2.774 -10.503 1.00 15.72 C +ATOM 359 CG GLU A 44 -36.891 -2.035 -9.714 1.00 15.25 C +ATOM 360 CD GLU A 44 -36.398 -1.189 -8.536 1.00 21.01 C +ATOM 361 OE1 GLU A 44 -35.187 -1.043 -8.266 1.00 16.50 O +ATOM 362 OE2 GLU A 44 -37.266 -0.655 -7.815 1.00 23.93 O +ATOM 363 C GLU A 44 -35.432 -4.222 -12.598 1.00 16.81 C +ATOM 364 O GLU A 44 -34.252 -4.460 -12.245 1.00 11.81 O +ATOM 365 N PHE A 45 -35.914 -4.427 -13.837 1.00 16.82 N +ATOM 367 CA PHE A 45 -35.322 -5.282 -14.882 1.00 19.36 C +ATOM 369 CB PHE A 45 -36.190 -5.301 -16.195 1.00 23.18 C +ATOM 371 CG PHE A 45 -36.379 -3.936 -16.868 1.00 30.12 C +ATOM 373 CD1 PHE A 45 -37.394 -3.069 -16.465 1.00 31.35 C +ATOM 375 CE1 PHE A 45 -37.566 -1.836 -17.080 1.00 34.10 C +ATOM 377 CZ PHE A 45 -36.734 -1.455 -18.112 1.00 29.11 C +ATOM 379 CE2 PHE A 45 -35.727 -2.302 -18.531 1.00 29.48 C +ATOM 381 CD2 PHE A 45 -35.556 -3.536 -17.925 1.00 33.40 C +ATOM 383 C PHE A 45 -33.876 -4.977 -15.213 1.00 15.69 C +ATOM 385 O PHE A 45 -33.084 -5.884 -15.487 1.00 15.15 O +ATOM 387 N TRP A 46 -33.549 -3.683 -15.204 1.00 15.30 N +ATOM 388 CA TRP A 46 -32.217 -3.190 -15.547 1.00 12.11 C +ATOM 389 CB TRP A 46 -32.194 -1.669 -15.502 1.00 11.86 C +ATOM 390 CG TRP A 46 -32.362 -1.069 -14.144 1.00 11.95 C +ATOM 391 CD1 TRP A 46 -31.374 -0.814 -13.255 1.00 14.46 C +ATOM 392 NE1 TRP A 46 -31.897 -0.254 -12.112 1.00 13.21 N +ATOM 393 CE2 TRP A 46 -33.243 -0.087 -12.279 1.00 12.73 C +ATOM 394 CD2 TRP A 46 -33.570 -0.579 -13.549 1.00 14.22 C +ATOM 395 CE3 TRP A 46 -34.912 -0.509 -13.973 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 -35.861 0.013 -13.098 1.00 16.83 C +ATOM 397 CH2 TRP A 46 -35.490 0.499 -11.837 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 -34.195 0.465 -11.412 1.00 16.01 C +ATOM 399 C TRP A 46 -31.124 -3.789 -14.638 1.00 11.22 C +ATOM 400 O TRP A 46 -30.033 -4.018 -15.084 1.00 12.05 O +ATOM 401 N ARG A 47 -31.440 -4.004 -13.354 1.00 12.46 N +ATOM 402 CA ARG A 47 -30.480 -4.528 -12.369 1.00 12.68 C +ATOM 403 CB ARG A 47 -31.182 -4.780 -11.048 1.00 11.77 C +ATOM 404 CG ARG A 47 -31.676 -3.490 -10.454 1.00 11.77 C +ATOM 405 CD ARG A 47 -32.360 -3.733 -9.154 1.00 12.31 C +ATOM 406 NE ARG A 47 -32.809 -2.504 -8.533 1.00 14.80 N +ATOM 407 CZ ARG A 47 -32.071 -1.714 -7.743 1.00 17.44 C +ATOM 408 NH1 ARG A 47 -30.820 -2.022 -7.416 1.00 16.23 N +ATOM 409 NH2 ARG A 47 -32.609 -0.626 -7.214 1.00 14.30 N +ATOM 410 C ARG A 47 -29.756 -5.817 -12.800 1.00 12.29 C +ATOM 411 O ARG A 47 -28.646 -6.089 -12.344 1.00 9.14 O +ATOM 412 N TYR A 48 -30.390 -6.616 -13.670 1.00 10.04 N +ATOM 413 CA TYR A 48 -29.836 -7.913 -14.030 1.00 10.43 C +ATOM 414 CB TYR A 48 -30.956 -8.855 -14.593 1.00 10.84 C +ATOM 415 CG TYR A 48 -32.047 -9.140 -13.575 1.00 7.71 C +ATOM 416 CD1 TYR A 48 -31.804 -9.980 -12.496 1.00 7.71 C +ATOM 417 CE1 TYR A 48 -32.766 -10.258 -11.552 1.00 6.25 C +ATOM 418 CZ TYR A 48 -34.005 -9.695 -11.669 1.00 6.42 C +ATOM 419 OH TYR A 48 -34.975 -9.997 -10.710 1.00 6.77 O +ATOM 420 CE2 TYR A 48 -34.293 -8.876 -12.734 1.00 6.94 C +ATOM 421 CD2 TYR A 48 -33.321 -8.598 -13.684 1.00 8.10 C +ATOM 422 C TYR A 48 -28.691 -7.717 -14.992 1.00 10.47 C +ATOM 423 O TYR A 48 -27.901 -8.640 -15.232 1.00 9.93 O +ATOM 424 N PHE A 49 -28.573 -6.483 -15.488 1.00 10.22 N +ATOM 425 CA PHE A 49 -27.524 -6.049 -16.423 1.00 13.54 C +ATOM 426 CB PHE A 49 -28.178 -5.616 -17.755 1.00 13.65 C +ATOM 427 CG PHE A 49 -29.111 -6.682 -18.312 1.00 10.24 C +ATOM 428 CD1 PHE A 49 -28.628 -7.683 -19.138 1.00 11.08 C +ATOM 429 CE1 PHE A 49 -29.450 -8.688 -19.610 1.00 9.94 C +ATOM 430 CZ PHE A 49 -30.776 -8.674 -19.244 1.00 10.35 C +ATOM 431 CE2 PHE A 49 -31.250 -7.696 -18.395 1.00 10.99 C +ATOM 432 CD2 PHE A 49 -30.414 -6.714 -17.941 1.00 9.51 C +ATOM 433 C PHE A 49 -26.597 -4.925 -15.908 1.00 11.86 C +ATOM 434 O PHE A 49 -25.395 -4.945 -16.157 1.00 11.51 O +ATOM 435 N THR A 50 -27.155 -3.971 -15.173 1.00 12.55 N +ATOM 436 CA THR A 50 -26.431 -2.760 -14.885 1.00 14.45 C +ATOM 437 CB THR A 50 -27.359 -1.635 -14.493 1.00 15.19 C +ATOM 438 OG1 THR A 50 -28.152 -2.067 -13.397 1.00 14.97 O +ATOM 439 CG2 THR A 50 -28.220 -1.164 -15.716 1.00 15.23 C +ATOM 440 C THR A 50 -25.340 -2.895 -13.784 1.00 14.00 C +ATOM 441 O THR A 50 -24.518 -2.002 -13.649 1.00 13.59 O +ATOM 442 N HIS A 51 -25.306 -4.033 -13.066 1.00 12.10 N +ATOM 443 CA HIS A 51 -24.162 -4.416 -12.246 1.00 11.62 C +ATOM 444 CB HIS A 51 -24.374 -5.800 -11.622 1.00 13.56 C +ATOM 445 CG HIS A 51 -24.528 -6.895 -12.640 1.00 12.87 C +ATOM 446 ND1 HIS A 51 -23.447 -7.477 -13.269 1.00 8.49 N +ATOM 447 CE1 HIS A 51 -23.892 -8.361 -14.152 1.00 12.06 C +ATOM 448 NE2 HIS A 51 -25.222 -8.359 -14.129 1.00 12.69 N +ATOM 449 CD2 HIS A 51 -25.642 -7.433 -13.206 1.00 9.97 C +ATOM 450 C HIS A 51 -22.818 -4.350 -13.069 1.00 12.16 C +ATOM 451 O HIS A 51 -21.731 -3.974 -12.547 1.00 11.44 O +ATOM 452 N ALA A 52 -22.901 -4.624 -14.369 1.00 10.69 N +ATOM 453 CA ALA A 52 -21.727 -4.586 -15.238 1.00 11.23 C +ATOM 454 CB ALA A 52 -21.996 -5.315 -16.543 1.00 13.23 C +ATOM 455 C ALA A 52 -21.104 -3.200 -15.532 1.00 9.35 C +ATOM 456 O ALA A 52 -19.929 -3.130 -15.941 1.00 9.41 O +ATOM 457 N LEU A 53 -21.850 -2.142 -15.229 1.00 9.87 N +ATOM 458 CA LEU A 53 -21.487 -0.729 -15.522 1.00 12.33 C +ATOM 459 CB LEU A 53 -22.731 0.087 -15.857 1.00 11.52 C +ATOM 460 CG LEU A 53 -23.500 -0.408 -17.099 1.00 16.11 C +ATOM 461 CD1 LEU A 53 -24.669 0.516 -17.369 1.00 15.54 C +ATOM 462 CD2 LEU A 53 -22.622 -0.476 -18.352 1.00 16.40 C +ATOM 463 C LEU A 53 -20.765 -0.011 -14.391 1.00 13.74 C +ATOM 464 O LEU A 53 -20.313 1.101 -14.578 1.00 16.46 O +ATOM 465 N MET A 54 -20.675 -0.662 -13.215 1.00 14.40 N +ATOM 466 CA MET A 54 -20.087 -0.074 -12.011 1.00 10.98 C +ATOM 467 CB MET A 54 -20.922 -0.496 -10.821 1.00 10.55 C +ATOM 468 CG MET A 54 -22.201 0.266 -10.716 1.00 13.54 C +ATOM 469 SD MET A 54 -23.150 -0.107 -9.242 1.00 10.40 S +ATOM 470 CE MET A 54 -23.709 -1.750 -9.760 1.00 9.03 C +ATOM 471 C MET A 54 -18.659 -0.617 -11.815 1.00 12.18 C +ATOM 472 O MET A 54 -18.407 -1.816 -11.942 1.00 12.58 O +ATOM 473 N HIS A 55 -17.718 0.282 -11.519 1.00 12.28 N +ATOM 474 CA HIS A 55 -16.402 -0.098 -11.122 1.00 11.39 C +ATOM 475 CB HIS A 55 -15.402 0.226 -12.223 1.00 11.48 C +ATOM 476 CG HIS A 55 -15.670 -0.507 -13.484 1.00 12.61 C +ATOM 477 ND1 HIS A 55 -16.510 -0.014 -14.469 1.00 13.59 N +ATOM 478 CE1 HIS A 55 -16.572 -0.882 -15.456 1.00 14.30 C +ATOM 479 NE2 HIS A 55 -15.830 -1.932 -15.142 1.00 12.53 N +ATOM 480 CD2 HIS A 55 -15.255 -1.721 -13.909 1.00 14.17 C +ATOM 481 C HIS A 55 -15.991 0.523 -9.799 1.00 11.45 C +ATOM 482 O HIS A 55 -16.334 1.625 -9.509 1.00 13.10 O +ATOM 483 N PHE A 56 -15.197 -0.218 -9.023 1.00 10.11 N +ATOM 484 CA PHE A 56 -14.780 0.198 -7.677 1.00 9.89 C +ATOM 485 CB PHE A 56 -14.931 -0.981 -6.719 1.00 10.76 C +ATOM 486 CG PHE A 56 -16.299 -1.576 -6.764 1.00 13.55 C +ATOM 487 CD1 PHE A 56 -17.412 -0.792 -6.398 1.00 14.41 C +ATOM 488 CE1 PHE A 56 -18.707 -1.311 -6.464 1.00 21.55 C +ATOM 489 CZ PHE A 56 -18.903 -2.619 -6.890 1.00 23.29 C +ATOM 490 CE2 PHE A 56 -17.801 -3.420 -7.207 1.00 17.99 C +ATOM 491 CD2 PHE A 56 -16.503 -2.885 -7.163 1.00 17.37 C +ATOM 492 C PHE A 56 -13.409 0.743 -7.588 1.00 8.06 C +ATOM 493 O PHE A 56 -13.048 1.278 -6.579 1.00 11.21 O +ATOM 494 N SER A 57 -12.641 0.621 -8.662 1.00 9.25 N +ATOM 495 CA SER A 57 -11.309 1.121 -8.719 1.00 12.25 C +ATOM 496 CB SER A 57 -10.305 0.055 -8.232 1.00 12.81 C +ATOM 497 OG SER A 57 -9.992 -0.856 -9.277 1.00 15.25 O +ATOM 498 C SER A 57 -10.962 1.579 -10.154 1.00 12.91 C +ATOM 499 O SER A 57 -11.436 1.029 -11.143 1.00 14.35 O +ATOM 500 N LEU A 58 -10.100 2.595 -10.204 1.00 10.97 N +ATOM 501 CA LEU A 58 -9.541 3.187 -11.377 1.00 11.43 C +ATOM 502 CB LEU A 58 -8.574 4.278 -10.889 1.00 12.33 C +ATOM 503 CG LEU A 58 -7.769 4.961 -11.956 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -8.753 5.460 -13.008 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.951 6.100 -11.335 1.00 14.25 C +ATOM 506 C LEU A 58 -8.781 2.172 -12.222 1.00 13.71 C +ATOM 507 O LEU A 58 -8.892 2.121 -13.455 1.00 11.94 O +ATOM 508 N MET A 59 -7.984 1.350 -11.543 1.00 16.33 N +ATOM 509 CA MET A 59 -7.172 0.347 -12.222 1.00 18.57 C +ATOM 510 CB MET A 59 -6.221 -0.276 -11.190 1.00 23.05 C +ATOM 511 CG MET A 59 -5.848 -1.721 -11.393 1.00 26.57 C +ATOM 513 SD MET A 59 -4.090 -1.947 -11.054 1.00 22.79 S +ATOM 515 CE MET A 59 -4.065 -3.702 -11.403 1.00 24.88 C +ATOM 517 C MET A 59 -8.093 -0.619 -13.013 1.00 17.18 C +ATOM 518 O MET A 59 -7.845 -0.858 -14.194 1.00 14.21 O +ATOM 519 N HIS A 60 -9.204 -1.053 -12.393 1.00 14.12 N +ATOM 520 CA HIS A 60 -10.122 -2.008 -12.999 1.00 16.07 C +ATOM 521 CB HIS A 60 -10.946 -2.676 -11.918 1.00 22.58 C +ATOM 522 CG HIS A 60 -10.148 -3.649 -11.108 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -10.694 -4.455 -10.131 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -9.740 -5.208 -9.611 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -8.598 -4.927 -10.219 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -8.834 -3.967 -11.166 1.00 50.39 C +ATOM 527 C HIS A 60 -10.984 -1.437 -14.136 1.00 12.01 C +ATOM 528 O HIS A 60 -11.158 -2.109 -15.168 1.00 10.26 O +ATOM 529 N ILE A 61 -11.462 -0.195 -13.989 1.00 8.67 N +ATOM 530 CA ILE A 61 -12.155 0.432 -15.084 1.00 8.62 C +ATOM 531 CB ILE A 61 -12.923 1.696 -14.707 1.00 7.58 C +ATOM 532 CG1 ILE A 61 -13.876 2.075 -15.865 1.00 8.87 C +ATOM 533 CD1 ILE A 61 -14.766 3.269 -15.582 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -12.014 2.843 -14.359 1.00 8.93 C +ATOM 535 C ILE A 61 -11.245 0.557 -16.296 1.00 8.60 C +ATOM 536 O ILE A 61 -11.641 0.262 -17.414 1.00 8.64 O +ATOM 537 N LEU A 62 -9.995 0.926 -16.073 1.00 12.67 N +ATOM 538 CA LEU A 62 -9.051 1.149 -17.166 1.00 13.90 C +ATOM 539 CB LEU A 62 -7.790 1.855 -16.686 1.00 18.30 C +ATOM 540 CG LEU A 62 -7.969 3.362 -16.395 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.817 3.910 -15.541 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -8.082 4.161 -17.687 1.00 22.18 C +ATOM 543 C LEU A 62 -8.719 -0.131 -17.884 1.00 10.78 C +ATOM 544 O LEU A 62 -8.805 -0.193 -19.091 1.00 8.81 O +ATOM 545 N PHE A 63 -8.380 -1.181 -17.139 1.00 12.10 N +ATOM 546 CA PHE A 63 -8.090 -2.474 -17.781 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.407 -3.464 -16.831 1.00 13.80 C +ATOM 548 CG PHE A 63 -5.941 -3.183 -16.702 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -5.089 -3.427 -17.791 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -3.742 -3.109 -17.738 1.00 29.98 C +ATOM 551 CZ PHE A 63 -3.233 -2.517 -16.607 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -4.056 -2.247 -15.537 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -5.416 -2.561 -15.584 1.00 23.06 C +ATOM 554 C PHE A 63 -9.326 -3.070 -18.457 1.00 9.46 C +ATOM 555 O PHE A 63 -9.207 -3.538 -19.579 1.00 9.63 O +ATOM 556 N ASN A 64 -10.478 -3.067 -17.768 1.00 8.67 N +ATOM 557 CA ASN A 64 -11.744 -3.618 -18.289 1.00 9.14 C +ATOM 558 CB ASN A 64 -12.938 -3.517 -17.280 1.00 11.48 C +ATOM 559 CG ASN A 64 -12.813 -4.452 -16.067 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -13.567 -4.410 -15.003 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -11.837 -5.310 -16.206 1.00 12.68 N +ATOM 562 C ASN A 64 -12.049 -2.879 -19.624 1.00 8.26 C +ATOM 563 O ASN A 64 -12.353 -3.484 -20.639 1.00 10.86 O +ATOM 564 N LEU A 65 -11.917 -1.556 -19.640 1.00 8.25 N +ATOM 565 CA LEU A 65 -12.282 -0.817 -20.829 1.00 7.48 C +ATOM 566 CB LEU A 65 -12.625 0.628 -20.544 1.00 6.64 C +ATOM 567 CG LEU A 65 -13.934 0.924 -19.821 1.00 6.96 C +ATOM 568 CD1 LEU A 65 -14.229 2.403 -19.750 1.00 6.37 C +ATOM 569 CD2 LEU A 65 -15.155 0.302 -20.431 1.00 8.07 C +ATOM 570 C LEU A 65 -11.296 -0.983 -21.943 1.00 8.20 C +ATOM 571 O LEU A 65 -11.686 -0.865 -23.107 1.00 10.57 O +ATOM 572 N LEU A 66 -10.026 -1.232 -21.602 1.00 9.34 N +ATOM 573 CA LEU A 66 -8.977 -1.434 -22.585 1.00 11.79 C +ATOM 574 CB LEU A 66 -7.609 -1.583 -21.880 1.00 16.80 C +ATOM 575 CG LEU A 66 -6.435 -1.833 -22.858 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.179 -0.616 -23.757 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -5.157 -2.306 -22.137 1.00 27.68 C +ATOM 578 C LEU A 66 -9.290 -2.701 -23.381 1.00 10.64 C +ATOM 579 O LEU A 66 -9.285 -2.701 -24.625 1.00 15.70 O +ATOM 580 N TRP A 67 -9.545 -3.780 -22.643 1.00 9.19 N +ATOM 581 CA TRP A 67 -9.915 -5.080 -23.183 1.00 11.28 C +ATOM 582 CB TRP A 67 -10.045 -6.109 -22.048 1.00 13.34 C +ATOM 583 CG TRP A 67 -8.747 -6.690 -21.568 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -8.240 -6.639 -20.291 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -7.073 -7.335 -20.214 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -6.774 -7.848 -21.450 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.831 -7.479 -22.330 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.813 -7.926 -23.655 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -6.754 -8.686 -24.077 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -5.689 -9.045 -23.164 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -5.697 -8.639 -21.855 1.00 14.32 C +ATOM 592 C TRP A 67 -11.229 -5.057 -23.949 1.00 8.88 C +ATOM 593 O TRP A 67 -11.307 -5.624 -25.015 1.00 8.19 O +ATOM 594 N TRP A 68 -12.261 -4.429 -23.359 1.00 10.01 N +ATOM 595 CA TRP A 68 -13.549 -4.179 -24.023 1.00 10.75 C +ATOM 596 CB TRP A 68 -14.515 -3.403 -23.106 1.00 12.22 C +ATOM 597 CG TRP A 68 -15.684 -2.815 -23.867 1.00 10.28 C +ATOM 598 CD1 TRP A 68 -15.769 -1.553 -24.400 1.00 10.20 C +ATOM 599 NE1 TRP A 68 -16.953 -1.392 -25.037 1.00 12.09 N +ATOM 600 CE2 TRP A 68 -17.667 -2.549 -24.959 1.00 10.02 C +ATOM 601 CD2 TRP A 68 -16.889 -3.469 -24.198 1.00 9.02 C +ATOM 602 CE3 TRP A 68 -17.394 -4.747 -23.945 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 -18.693 -5.072 -24.436 1.00 10.67 C +ATOM 604 CH2 TRP A 68 -19.459 -4.109 -25.176 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 -18.951 -2.860 -25.466 1.00 10.72 C +ATOM 606 C TRP A 68 -13.338 -3.419 -25.345 1.00 12.58 C +ATOM 607 O TRP A 68 -13.855 -3.832 -26.396 1.00 12.72 O +ATOM 608 N TRP A 69 -12.540 -2.345 -25.308 1.00 9.65 N +ATOM 609 CA TRP A 69 -12.296 -1.574 -26.504 1.00 11.78 C +ATOM 610 CB TRP A 69 -11.443 -0.326 -26.171 1.00 14.65 C +ATOM 611 CG TRP A 69 -11.064 0.617 -27.339 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -11.883 1.088 -28.317 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -11.196 1.910 -29.172 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -9.903 1.986 -28.760 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -9.784 1.184 -27.597 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -8.548 1.138 -26.932 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -7.469 1.884 -27.459 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -7.629 2.661 -28.628 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -8.835 2.727 -29.282 1.00 36.39 C +ATOM 620 C TRP A 69 -11.630 -2.439 -27.601 1.00 10.65 C +ATOM 621 O TRP A 69 -12.004 -2.373 -28.772 1.00 7.41 O +ATOM 622 N TYR A 70 -10.626 -3.223 -27.206 1.00 9.26 N +ATOM 623 CA TYR A 70 -9.925 -4.081 -28.158 1.00 10.38 C +ATOM 624 CB TYR A 70 -8.599 -4.590 -27.568 1.00 11.80 C +ATOM 625 CG TYR A 70 -7.693 -5.251 -28.578 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.996 -4.507 -29.526 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -6.176 -5.126 -30.475 1.00 19.00 C +ATOM 628 CZ TYR A 70 -6.078 -6.512 -30.487 1.00 21.71 C +ATOM 629 OH TYR A 70 -5.267 -7.185 -31.386 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -6.779 -7.261 -29.567 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -7.573 -6.628 -28.617 1.00 19.10 C +ATOM 632 C TYR A 70 -10.751 -5.271 -28.672 1.00 8.62 C +ATOM 633 O TYR A 70 -10.856 -5.491 -29.872 1.00 8.15 O +ATOM 634 N LEU A 71 -11.307 -6.068 -27.763 1.00 8.22 N +ATOM 635 CA LEU A 71 -11.956 -7.291 -28.167 1.00 8.75 C +ATOM 636 CB LEU A 71 -11.989 -8.301 -27.042 1.00 10.19 C +ATOM 637 CG LEU A 71 -10.671 -8.786 -26.460 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -10.965 -9.735 -25.348 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -9.855 -9.528 -27.499 1.00 13.03 C +ATOM 640 C LEU A 71 -13.369 -6.981 -28.600 1.00 9.72 C +ATOM 641 O LEU A 71 -13.791 -7.390 -29.687 1.00 10.90 O +ATOM 642 N GLY A 72 -14.084 -6.233 -27.749 1.00 10.28 N +ATOM 643 CA GLY A 72 -15.360 -5.618 -28.107 1.00 10.65 C +ATOM 644 C GLY A 72 -15.302 -5.014 -29.487 1.00 9.77 C +ATOM 645 O GLY A 72 -16.078 -5.357 -30.316 1.00 10.46 O +ATOM 646 N GLY A 73 -14.343 -4.124 -29.734 1.00 10.80 N +ATOM 647 CA GLY A 73 -14.260 -3.396 -30.997 1.00 9.84 C +ATOM 648 C GLY A 73 -13.985 -4.294 -32.205 1.00 9.93 C +ATOM 649 O GLY A 73 -14.514 -4.093 -33.311 1.00 9.02 O +ATOM 650 N ALA A 74 -13.152 -5.312 -31.995 1.00 10.45 N +ATOM 651 CA ALA A 74 -12.895 -6.308 -33.031 1.00 10.89 C +ATOM 652 CB ALA A 74 -11.826 -7.294 -32.554 1.00 10.75 C +ATOM 653 C ALA A 74 -14.217 -7.043 -33.378 1.00 8.90 C +ATOM 654 O ALA A 74 -14.622 -7.108 -34.518 1.00 9.49 O +ATOM 655 N VAL A 75 -14.905 -7.548 -32.359 1.00 8.02 N +ATOM 656 CA VAL A 75 -16.136 -8.257 -32.596 1.00 9.54 C +ATOM 657 CB VAL A 75 -16.763 -8.780 -31.302 1.00 8.90 C +ATOM 658 CG1 VAL A 75 -18.160 -9.337 -31.566 1.00 10.78 C +ATOM 659 CG2 VAL A 75 -15.877 -9.861 -30.724 1.00 8.31 C +ATOM 660 C VAL A 75 -17.126 -7.429 -33.411 1.00 8.80 C +ATOM 661 O VAL A 75 -17.639 -7.900 -34.389 1.00 10.62 O +ATOM 662 N GLU A 76 -17.402 -6.206 -32.983 1.00 9.32 N +ATOM 663 CA GLU A 76 -18.325 -5.313 -33.689 1.00 11.38 C +ATOM 664 CB GLU A 76 -18.458 -3.959 -32.979 1.00 13.00 C +ATOM 665 CG GLU A 76 -19.459 -2.960 -33.569 1.00 11.01 C +ATOM 666 CD GLU A 76 -19.930 -1.972 -32.515 1.00 12.62 C +ATOM 667 OE1 GLU A 76 -19.183 -1.652 -31.548 1.00 12.49 O +ATOM 668 OE2 GLU A 76 -21.075 -1.503 -32.634 1.00 16.29 O +ATOM 669 C GLU A 76 -17.901 -5.085 -35.109 1.00 13.17 C +ATOM 670 O GLU A 76 -18.731 -5.165 -36.019 1.00 14.71 O +ATOM 671 N LYS A 77 -16.614 -4.801 -35.315 1.00 13.53 N +ATOM 672 CA LYS A 77 -16.122 -4.518 -36.648 1.00 16.95 C +ATOM 673 CB LYS A 77 -14.657 -4.040 -36.619 1.00 24.89 C +ATOM 674 CG LYS A 77 -14.161 -3.299 -37.866 1.00 29.96 C +ATOM 675 CD LYS A 77 -14.941 -2.005 -38.217 1.00 48.81 C +ATOM 676 CE LYS A 77 -15.143 -0.991 -37.062 1.00 51.17 C +ATOM 677 NZ LYS A 77 -16.530 -0.918 -36.453 1.00 41.66 N +ATOM 678 C LYS A 77 -16.262 -5.727 -37.572 1.00 13.69 C +ATOM 679 O LYS A 77 -16.677 -5.582 -38.695 1.00 11.09 O +ATOM 680 N ARG A 78 -15.902 -6.922 -37.107 1.00 13.15 N +ATOM 681 CA ARG A 78 -15.846 -8.048 -38.034 1.00 17.21 C +ATOM 682 CB ARG A 78 -14.682 -8.998 -37.745 1.00 26.03 C +ATOM 683 CG ARG A 78 -13.397 -8.360 -37.220 1.00 42.52 C +ATOM 684 CD ARG A 78 -12.379 -7.830 -38.235 1.00 53.37 C +ATOM 685 NE ARG A 78 -11.577 -6.732 -37.625 1.00 85.31 N +ATOM 686 CZ ARG A 78 -10.644 -6.856 -36.659 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -10.316 -8.045 -36.148 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -10.027 -5.770 -36.185 1.00 57.06 N +ATOM 689 C ARG A 78 -17.168 -8.817 -38.138 1.00 12.62 C +ATOM 690 O ARG A 78 -17.476 -9.334 -39.200 1.00 12.21 O +ATOM 691 N LEU A 79 -17.925 -8.884 -37.034 1.00 10.41 N +ATOM 692 CA LEU A 79 -19.150 -9.689 -36.895 1.00 8.22 C +ATOM 693 CB LEU A 79 -19.032 -10.642 -35.681 1.00 8.17 C +ATOM 694 CG LEU A 79 -17.737 -11.450 -35.652 1.00 8.98 C +ATOM 695 CD1 LEU A 79 -17.606 -12.471 -34.513 1.00 8.36 C +ATOM 696 CD2 LEU A 79 -17.616 -12.166 -36.995 1.00 9.32 C +ATOM 697 C LEU A 79 -20.417 -8.847 -36.746 1.00 6.91 C +ATOM 698 O LEU A 79 -21.527 -9.358 -36.876 1.00 8.56 O +ATOM 699 N GLY A 80 -20.272 -7.557 -36.453 1.00 5.95 N +ATOM 700 CA GLY A 80 -21.408 -6.681 -36.293 1.00 5.85 C +ATOM 701 C GLY A 80 -21.738 -6.281 -34.849 1.00 6.74 C +ATOM 702 O GLY A 80 -21.452 -6.996 -33.891 1.00 6.31 O +ATOM 703 N SER A 81 -22.427 -5.142 -34.751 1.00 6.52 N +ATOM 704 CA SER A 81 -23.011 -4.613 -33.568 1.00 7.29 C +ATOM 705 CB SER A 81 -23.800 -3.357 -33.946 1.00 6.49 C +ATOM 706 OG SER A 81 -22.894 -2.315 -34.225 1.00 7.34 O +ATOM 707 C SER A 81 -23.900 -5.582 -32.808 1.00 7.07 C +ATOM 708 O SER A 81 -23.785 -5.703 -31.543 1.00 7.73 O +ATOM 709 N GLY A 82 -24.761 -6.284 -33.547 1.00 6.35 N +ATOM 710 CA GLY A 82 -25.686 -7.239 -32.962 1.00 6.26 C +ATOM 711 C GLY A 82 -25.010 -8.351 -32.158 1.00 6.75 C +ATOM 712 O GLY A 82 -25.465 -8.743 -31.075 1.00 7.96 O +ATOM 713 N LYS A 83 -23.926 -8.884 -32.716 1.00 6.78 N +ATOM 714 CA LYS A 83 -23.197 -9.951 -32.130 1.00 7.45 C +ATOM 715 CB LYS A 83 -22.079 -10.352 -33.092 1.00 10.15 C +ATOM 716 CG LYS A 83 -21.203 -11.485 -32.552 1.00 13.46 C +ATOM 717 CD LYS A 83 -21.959 -12.777 -32.354 1.00 15.35 C +ATOM 718 CE LYS A 83 -22.229 -13.440 -33.701 1.00 13.83 C +ATOM 719 NZ LYS A 83 -22.853 -14.738 -33.391 1.00 17.70 N +ATOM 720 C LYS A 83 -22.612 -9.460 -30.791 1.00 7.49 C +ATOM 721 O LYS A 83 -22.686 -10.144 -29.784 1.00 6.49 O +ATOM 722 N LEU A 84 -22.055 -8.243 -30.786 1.00 7.56 N +ATOM 723 CA LEU A 84 -21.476 -7.676 -29.567 1.00 8.80 C +ATOM 724 CB LEU A 84 -20.776 -6.345 -29.822 1.00 8.75 C +ATOM 725 CG LEU A 84 -20.035 -5.752 -28.602 1.00 9.25 C +ATOM 726 CD1 LEU A 84 -19.131 -6.767 -27.942 1.00 11.42 C +ATOM 727 CD2 LEU A 84 -19.228 -4.516 -28.998 1.00 8.81 C +ATOM 728 C LEU A 84 -22.558 -7.475 -28.527 1.00 9.07 C +ATOM 729 O LEU A 84 -22.344 -7.783 -27.372 1.00 7.30 O +ATOM 730 N ILE A 85 -23.721 -6.959 -28.964 1.00 8.25 N +ATOM 731 CA ILE A 85 -24.876 -6.826 -28.071 1.00 8.61 C +ATOM 732 CB ILE A 85 -26.081 -6.227 -28.807 1.00 9.61 C +ATOM 733 CG1 ILE A 85 -25.818 -4.735 -29.062 1.00 10.88 C +ATOM 734 CD1 ILE A 85 -26.736 -4.127 -30.111 1.00 13.48 C +ATOM 735 CG2 ILE A 85 -27.392 -6.397 -28.007 1.00 9.42 C +ATOM 736 C ILE A 85 -25.268 -8.119 -27.342 1.00 7.41 C +ATOM 737 O ILE A 85 -25.422 -8.111 -26.115 1.00 8.94 O +ATOM 738 N VAL A 86 -25.415 -9.219 -28.085 1.00 6.37 N +ATOM 739 CA VAL A 86 -25.884 -10.465 -27.491 1.00 6.19 C +ATOM 740 CB VAL A 86 -26.273 -11.494 -28.594 1.00 5.97 C +ATOM 742 CG1 VAL A 86 -27.034 -12.683 -28.001 1.00 5.42 C +ATOM 744 CG2 VAL A 86 -27.045 -10.819 -29.719 1.00 5.92 C +ATOM 746 C VAL A 86 -24.838 -11.101 -26.593 1.00 7.25 C +ATOM 747 O VAL A 86 -25.156 -11.551 -25.509 1.00 7.60 O +ATOM 748 N ILE A 87 -23.577 -11.134 -27.042 1.00 8.21 N +ATOM 749 CA ILE A 87 -22.494 -11.541 -26.144 1.00 9.69 C +ATOM 750 CB ILE A 87 -21.147 -11.350 -26.793 1.00 10.87 C +ATOM 751 CG1 ILE A 87 -20.997 -12.340 -27.919 1.00 10.95 C +ATOM 752 CD1 ILE A 87 -19.722 -12.109 -28.723 1.00 11.24 C +ATOM 753 CG2 ILE A 87 -20.024 -11.536 -25.766 1.00 14.74 C +ATOM 754 C ILE A 87 -22.538 -10.784 -24.812 1.00 8.23 C +ATOM 755 O ILE A 87 -22.523 -11.346 -23.716 1.00 8.72 O +ATOM 756 N THR A 88 -22.670 -9.477 -24.926 1.00 10.12 N +ATOM 757 CA THR A 88 -22.714 -8.602 -23.763 1.00 9.66 C +ATOM 758 CB THR A 88 -22.715 -7.129 -24.183 1.00 8.86 C +ATOM 759 OG1 THR A 88 -21.550 -6.851 -24.946 1.00 8.21 O +ATOM 760 CG2 THR A 88 -22.750 -6.198 -22.941 1.00 9.41 C +ATOM 761 C THR A 88 -23.930 -8.894 -22.883 1.00 10.56 C +ATOM 762 O THR A 88 -23.764 -8.988 -21.693 1.00 9.67 O +ATOM 763 N LEU A 89 -25.143 -9.003 -23.472 1.00 9.79 N +ATOM 764 CA LEU A 89 -26.351 -9.272 -22.666 1.00 9.43 C +ATOM 765 CB LEU A 89 -27.643 -9.258 -23.486 1.00 10.49 C +ATOM 766 CG LEU A 89 -27.995 -7.896 -24.095 1.00 13.29 C +ATOM 767 CD1 LEU A 89 -29.258 -8.022 -24.924 1.00 12.80 C +ATOM 768 CD2 LEU A 89 -28.146 -6.789 -23.045 1.00 15.37 C +ATOM 769 C LEU A 89 -26.282 -10.585 -21.926 1.00 10.23 C +ATOM 770 O LEU A 89 -26.704 -10.679 -20.764 1.00 16.46 O +ATOM 771 N ILE A 90 -25.812 -11.623 -22.624 1.00 9.43 N +ATOM 772 CA ILE A 90 -25.857 -12.976 -22.135 1.00 10.41 C +ATOM 773 CB ILE A 90 -25.635 -14.011 -23.289 1.00 10.97 C +ATOM 774 CG1 ILE A 90 -26.824 -14.038 -24.260 1.00 10.17 C +ATOM 775 CD1 ILE A 90 -26.655 -15.025 -25.433 1.00 11.35 C +ATOM 776 CG2 ILE A 90 -25.509 -15.408 -22.688 1.00 13.93 C +ATOM 777 C ILE A 90 -24.770 -13.094 -21.068 1.00 10.30 C +ATOM 778 O ILE A 90 -24.983 -13.657 -20.017 1.00 11.27 O +ATOM 779 N SER A 91 -23.585 -12.592 -21.376 1.00 9.52 N +ATOM 780 CA SER A 91 -22.496 -12.648 -20.400 1.00 14.52 C +ATOM 781 CB SER A 91 -21.150 -12.232 -20.995 1.00 13.25 C +ATOM 782 OG SER A 91 -21.137 -10.897 -21.373 1.00 12.23 O +ATOM 783 C SER A 91 -22.830 -11.849 -19.104 1.00 10.37 C +ATOM 784 O SER A 91 -22.594 -12.347 -18.006 1.00 9.69 O +ATOM 785 N ALA A 92 -23.413 -10.658 -19.258 1.00 9.09 N +ATOM 786 CA ALA A 92 -23.796 -9.842 -18.101 1.00 9.92 C +ATOM 787 CB ALA A 92 -24.308 -8.468 -18.495 1.00 9.81 C +ATOM 788 C ALA A 92 -24.801 -10.537 -17.236 1.00 9.21 C +ATOM 789 O ALA A 92 -24.706 -10.526 -16.033 1.00 11.95 O +ATOM 790 N LEU A 93 -25.808 -11.144 -17.859 1.00 12.58 N +ATOM 791 CA LEU A 93 -26.889 -11.767 -17.122 1.00 11.15 C +ATOM 792 CB LEU A 93 -27.971 -12.131 -18.109 1.00 13.97 C +ATOM 793 CG LEU A 93 -29.237 -12.642 -17.553 1.00 15.28 C +ATOM 794 CD1 LEU A 93 -29.899 -11.649 -16.608 1.00 14.89 C +ATOM 795 CD2 LEU A 93 -30.116 -12.981 -18.765 1.00 18.93 C +ATOM 796 C LEU A 93 -26.415 -13.023 -16.412 1.00 9.22 C +ATOM 797 O LEU A 93 -26.731 -13.238 -15.228 1.00 9.53 O +ATOM 798 N LEU A 94 -25.694 -13.876 -17.152 1.00 8.54 N +ATOM 799 CA LEU A 94 -25.294 -15.171 -16.619 1.00 10.77 C +ATOM 800 CB LEU A 94 -24.829 -16.136 -17.723 1.00 9.48 C +ATOM 802 CG LEU A 94 -25.951 -16.947 -18.370 1.00 8.72 C +ATOM 804 CD1 LEU A 94 -26.867 -16.083 -19.194 1.00 8.52 C +ATOM 806 CD2 LEU A 94 -25.392 -18.028 -19.262 1.00 9.47 C +ATOM 808 C LEU A 94 -24.214 -14.981 -15.547 1.00 10.87 C +ATOM 809 O LEU A 94 -24.253 -15.639 -14.484 1.00 14.49 O +ATOM 810 N SER A 95 -23.285 -14.047 -15.793 1.00 9.20 N +ATOM 811 CA SER A 95 -22.207 -13.834 -14.848 1.00 9.77 C +ATOM 812 CB SER A 95 -21.117 -12.956 -15.460 1.00 11.24 C +ATOM 813 OG SER A 95 -21.572 -11.635 -15.673 1.00 10.77 O +ATOM 814 C SER A 95 -22.751 -13.283 -13.559 1.00 10.28 C +ATOM 815 O SER A 95 -22.375 -13.713 -12.471 1.00 11.54 O +ATOM 816 N GLY A 96 -23.731 -12.382 -13.665 1.00 9.63 N +ATOM 817 CA GLY A 96 -24.378 -11.829 -12.478 1.00 9.09 C +ATOM 818 C GLY A 96 -25.141 -12.884 -11.699 1.00 10.87 C +ATOM 819 O GLY A 96 -25.141 -12.896 -10.441 1.00 9.44 O +ATOM 820 N TYR A 97 -25.859 -13.751 -12.429 1.00 10.40 N +ATOM 821 CA TYR A 97 -26.655 -14.754 -11.774 1.00 10.22 C +ATOM 822 CB TYR A 97 -27.494 -15.567 -12.778 1.00 9.26 C +ATOM 823 CG TYR A 97 -27.807 -16.936 -12.322 1.00 11.80 C +ATOM 824 CD1 TYR A 97 -28.754 -17.188 -11.355 1.00 13.53 C +ATOM 825 CE1 TYR A 97 -28.983 -18.468 -10.903 1.00 15.13 C +ATOM 826 CZ TYR A 97 -28.277 -19.507 -11.428 1.00 17.92 C +ATOM 827 OH TYR A 97 -28.481 -20.849 -11.075 1.00 35.59 O +ATOM 828 CE2 TYR A 97 -27.349 -19.281 -12.393 1.00 20.60 C +ATOM 829 CD2 TYR A 97 -27.099 -18.002 -12.821 1.00 15.19 C +ATOM 830 C TYR A 97 -25.742 -15.665 -10.949 1.00 10.61 C +ATOM 831 O TYR A 97 -26.076 -16.007 -9.815 1.00 9.19 O +ATOM 832 N VAL A 98 -24.630 -16.110 -11.557 1.00 10.24 N +ATOM 833 CA VAL A 98 -23.738 -17.053 -10.906 1.00 11.42 C +ATOM 834 CB VAL A 98 -22.720 -17.603 -11.911 1.00 13.55 C +ATOM 835 CG1 VAL A 98 -21.656 -18.421 -11.180 1.00 13.24 C +ATOM 836 CG2 VAL A 98 -23.432 -18.479 -12.959 1.00 13.47 C +ATOM 837 C VAL A 98 -23.008 -16.416 -9.723 1.00 9.87 C +ATOM 838 O VAL A 98 -22.858 -17.034 -8.676 1.00 8.32 O +ATOM 839 N GLN A 99 -22.532 -15.185 -9.922 1.00 9.03 N +ATOM 840 CA GLN A 99 -21.917 -14.421 -8.865 1.00 10.14 C +ATOM 841 CB GLN A 99 -21.501 -13.048 -9.325 1.00 9.94 C +ATOM 842 CG GLN A 99 -20.687 -12.277 -8.253 1.00 12.42 C +ATOM 843 CD GLN A 99 -19.453 -13.015 -7.762 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -18.792 -13.713 -8.536 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -19.178 -12.931 -6.446 1.00 13.91 N +ATOM 846 C GLN A 99 -22.804 -14.289 -7.663 1.00 10.64 C +ATOM 847 O GLN A 99 -22.344 -14.507 -6.511 1.00 13.44 O +ATOM 848 N GLN A 100 -24.070 -13.917 -7.883 1.00 11.43 N +ATOM 849 CA GLN A 100 -24.954 -13.695 -6.736 1.00 10.79 C +ATOM 850 CB GLN A 100 -26.196 -12.878 -7.043 1.00 15.29 C +ATOM 851 CG GLN A 100 -27.204 -13.459 -8.029 1.00 15.18 C +ATOM 852 CD GLN A 100 -28.114 -14.523 -7.458 1.00 20.02 C +ATOM 853 OE1 GLN A 100 -28.505 -14.435 -6.271 1.00 17.98 O +ATOM 854 NE2 GLN A 100 -28.388 -15.624 -8.285 1.00 13.46 N +ATOM 855 C GLN A 100 -25.298 -14.992 -6.047 1.00 11.18 C +ATOM 856 O GLN A 100 -25.412 -15.020 -4.832 1.00 10.28 O +ATOM 857 N LYS A 101 -25.404 -16.087 -6.811 1.00 12.05 N +ATOM 858 CA LYS A 101 -25.674 -17.401 -6.220 1.00 15.91 C +ATOM 859 CB LYS A 101 -25.751 -18.484 -7.295 1.00 19.62 C +ATOM 860 CG LYS A 101 -26.193 -19.845 -6.800 1.00 25.54 C +ATOM 861 CD LYS A 101 -27.485 -19.801 -5.989 1.00 36.13 C +ATOM 862 CE LYS A 101 -28.621 -19.017 -6.647 1.00 47.35 C +ATOM 863 NZ LYS A 101 -29.789 -18.961 -5.714 1.00 53.61 N +ATOM 864 C LYS A 101 -24.603 -17.820 -5.194 1.00 14.76 C +ATOM 865 O LYS A 101 -24.938 -18.368 -4.195 1.00 12.05 O +ATOM 866 N PHE A 102 -23.324 -17.590 -5.499 1.00 17.64 N +ATOM 867 CA PHE A 102 -22.218 -18.037 -4.646 1.00 22.08 C +ATOM 868 CB PHE A 102 -20.889 -18.140 -5.396 1.00 32.43 C +ATOM 869 CG PHE A 102 -20.817 -19.229 -6.440 1.00 49.16 C +ATOM 870 CD1 PHE A 102 -21.765 -20.246 -6.530 1.00 57.17 C +ATOM 871 CE1 PHE A 102 -21.644 -21.242 -7.500 1.00 64.20 C +ATOM 872 CZ PHE A 102 -20.559 -21.243 -8.373 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -19.593 -20.250 -8.286 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -19.721 -19.253 -7.325 1.00 70.03 C +ATOM 875 C PHE A 102 -21.959 -17.075 -3.509 1.00 15.16 C +ATOM 876 O PHE A 102 -21.667 -17.509 -2.436 1.00 18.94 O +ATOM 877 N SER A 103 -22.073 -15.771 -3.773 1.00 13.90 N +ATOM 878 CA SER A 103 -21.572 -14.727 -2.891 1.00 11.20 C +ATOM 879 CB SER A 103 -20.309 -14.195 -3.558 1.00 11.98 C +ATOM 880 OG SER A 103 -19.427 -15.276 -3.653 1.00 11.27 O +ATOM 881 C SER A 103 -22.473 -13.525 -2.612 1.00 11.46 C +ATOM 882 O SER A 103 -22.046 -12.573 -1.977 1.00 9.51 O +ATOM 883 N GLY A 104 -23.690 -13.523 -3.166 1.00 10.24 N +ATOM 884 CA GLY A 104 -24.637 -12.451 -2.929 1.00 9.26 C +ATOM 885 C GLY A 104 -24.549 -11.285 -3.911 1.00 9.97 C +ATOM 886 O GLY A 104 -23.775 -11.275 -4.866 1.00 7.26 O +ATOM 887 N PRO A 105 -25.419 -10.276 -3.720 1.00 7.88 N +ATOM 888 CA PRO A 105 -25.678 -9.282 -4.757 1.00 8.48 C +ATOM 889 CB PRO A 105 -27.062 -8.809 -4.339 1.00 8.22 C +ATOM 890 CG PRO A 105 -27.007 -8.885 -2.822 1.00 6.83 C +ATOM 891 CD PRO A 105 -26.293 -10.159 -2.551 1.00 6.35 C +ATOM 892 C PRO A 105 -24.685 -8.063 -4.877 1.00 10.05 C +ATOM 893 O PRO A 105 -24.861 -7.192 -5.734 1.00 10.01 O +ATOM 894 N TRP A 106 -23.694 -7.998 -3.989 1.00 11.69 N +ATOM 895 CA TRP A 106 -22.848 -6.807 -3.829 1.00 11.54 C +ATOM 896 CB TRP A 106 -22.502 -6.595 -2.355 1.00 12.46 C +ATOM 897 CG TRP A 106 -23.715 -6.450 -1.568 1.00 12.18 C +ATOM 898 CD1 TRP A 106 -24.239 -7.363 -0.718 1.00 10.82 C +ATOM 899 NE1 TRP A 106 -25.396 -6.873 -0.152 1.00 11.60 N +ATOM 900 CE2 TRP A 106 -25.684 -5.655 -0.714 1.00 11.11 C +ATOM 901 CD2 TRP A 106 -24.631 -5.353 -1.609 1.00 13.14 C +ATOM 902 CE3 TRP A 106 -24.669 -4.150 -2.305 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 -25.770 -3.290 -2.094 1.00 14.76 C +ATOM 904 CH2 TRP A 106 -26.783 -3.624 -1.182 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 -26.758 -4.800 -0.502 1.00 10.23 C +ATOM 906 C TRP A 106 -21.606 -6.969 -4.635 1.00 10.94 C +ATOM 907 O TRP A 106 -20.495 -7.168 -4.085 1.00 10.11 O +ATOM 908 N PHE A 107 -21.799 -6.916 -5.956 1.00 11.04 N +ATOM 909 CA PHE A 107 -20.731 -7.041 -6.918 1.00 10.70 C +ATOM 910 CB PHE A 107 -20.674 -8.485 -7.421 1.00 13.62 C +ATOM 911 CG PHE A 107 -21.858 -8.897 -8.228 1.00 12.43 C +ATOM 912 CD1 PHE A 107 -22.981 -9.371 -7.610 1.00 14.88 C +ATOM 913 CE1 PHE A 107 -24.085 -9.758 -8.334 1.00 15.39 C +ATOM 914 CZ PHE A 107 -24.073 -9.635 -9.696 1.00 15.58 C +ATOM 915 CE2 PHE A 107 -22.946 -9.171 -10.344 1.00 12.75 C +ATOM 916 CD2 PHE A 107 -21.843 -8.787 -9.601 1.00 14.16 C +ATOM 917 C PHE A 107 -20.976 -6.075 -8.050 1.00 12.33 C +ATOM 918 O PHE A 107 -22.081 -5.532 -8.209 1.00 12.46 O +ATOM 919 N GLY A 108 -19.935 -5.839 -8.848 1.00 9.93 N +ATOM 920 CA GLY A 108 -20.072 -5.014 -10.016 1.00 8.76 C +ATOM 921 C GLY A 108 -18.853 -5.117 -10.877 1.00 9.73 C +ATOM 922 O GLY A 108 -17.823 -5.611 -10.457 1.00 9.84 O +ATOM 923 N GLY A 109 -18.969 -4.614 -12.098 1.00 10.32 N +ATOM 924 CA GLY A 109 -17.840 -4.570 -12.990 1.00 10.57 C +ATOM 925 C GLY A 109 -18.073 -5.267 -14.313 1.00 11.70 C +ATOM 926 O GLY A 109 -18.826 -6.246 -14.402 1.00 11.87 O +ATOM 927 N LEU A 110 -17.362 -4.781 -15.328 1.00 11.04 N +ATOM 928 CA LEU A 110 -17.378 -5.314 -16.673 1.00 14.57 C +ATOM 929 CB LEU A 110 -16.975 -4.182 -17.651 1.00 11.87 C +ATOM 930 CG LEU A 110 -17.367 -4.420 -19.106 1.00 12.86 C +ATOM 931 CD1 LEU A 110 -18.906 -4.481 -19.217 1.00 12.16 C +ATOM 932 CD2 LEU A 110 -16.783 -3.269 -19.930 1.00 12.82 C +ATOM 933 C LEU A 110 -16.566 -6.625 -16.949 1.00 11.01 C +ATOM 934 O LEU A 110 -16.628 -7.196 -18.013 1.00 14.43 O +ATOM 935 N SER A 111 -15.834 -7.123 -15.969 1.00 13.29 N +ATOM 936 CA SER A 111 -14.972 -8.267 -16.183 1.00 10.12 C +ATOM 937 CB SER A 111 -14.054 -8.500 -14.971 1.00 10.55 C +ATOM 938 OG SER A 111 -14.775 -8.858 -13.780 1.00 11.02 O +ATOM 939 C SER A 111 -15.678 -9.568 -16.545 1.00 12.43 C +ATOM 940 O SER A 111 -15.048 -10.443 -17.156 1.00 13.91 O +ATOM 941 N GLY A 112 -16.960 -9.714 -16.178 1.00 12.21 N +ATOM 942 CA GLY A 112 -17.730 -10.883 -16.590 1.00 12.07 C +ATOM 943 C GLY A 112 -17.795 -10.878 -18.101 1.00 11.14 C +ATOM 944 O GLY A 112 -17.527 -11.896 -18.794 1.00 9.44 O +ATOM 945 N VAL A 113 -18.140 -9.697 -18.622 1.00 10.51 N +ATOM 946 CA VAL A 113 -18.237 -9.432 -20.058 1.00 10.87 C +ATOM 947 CB VAL A 113 -18.860 -8.050 -20.347 1.00 8.83 C +ATOM 948 CG1 VAL A 113 -18.840 -7.788 -21.821 1.00 13.82 C +ATOM 949 CG2 VAL A 113 -20.287 -7.963 -19.851 1.00 9.67 C +ATOM 950 C VAL A 113 -16.867 -9.537 -20.717 1.00 9.75 C +ATOM 951 O VAL A 113 -16.721 -10.090 -21.744 1.00 10.43 O +ATOM 952 N VAL A 114 -15.846 -8.969 -20.087 1.00 10.82 N +ATOM 953 CA VAL A 114 -14.518 -9.053 -20.623 1.00 10.51 C +ATOM 954 CB VAL A 114 -13.535 -8.221 -19.807 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -12.119 -8.534 -20.200 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -13.823 -6.761 -20.044 1.00 11.97 C +ATOM 957 C VAL A 114 -14.052 -10.495 -20.745 1.00 10.52 C +ATOM 958 O VAL A 114 -13.441 -10.844 -21.780 1.00 8.61 O +ATOM 959 N TYR A 115 -14.323 -11.316 -19.712 1.00 11.27 N +ATOM 960 CA TYR A 115 -13.934 -12.738 -19.733 1.00 12.70 C +ATOM 961 CB TYR A 115 -14.181 -13.493 -18.402 1.00 13.31 C +ATOM 962 CG TYR A 115 -13.064 -13.355 -17.341 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -12.503 -12.128 -17.051 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -11.532 -11.985 -16.107 1.00 13.42 C +ATOM 965 CZ TYR A 115 -11.107 -13.073 -15.378 1.00 17.17 C +ATOM 966 OH TYR A 115 -10.130 -12.878 -14.406 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -11.649 -14.326 -15.628 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -12.619 -14.460 -16.605 1.00 18.31 C +ATOM 969 C TYR A 115 -14.631 -13.474 -20.896 1.00 13.25 C +ATOM 970 O TYR A 115 -14.008 -14.293 -21.549 1.00 12.92 O +ATOM 971 N ALA A 116 -15.922 -13.181 -21.124 1.00 11.18 N +ATOM 972 CA ALA A 116 -16.682 -13.748 -22.253 1.00 10.79 C +ATOM 973 CB ALA A 116 -18.111 -13.238 -22.199 1.00 11.53 C +ATOM 974 C ALA A 116 -16.016 -13.378 -23.597 1.00 12.39 C +ATOM 975 O ALA A 116 -15.812 -14.227 -24.461 1.00 9.32 O +ATOM 976 N LEU A 117 -15.585 -12.118 -23.726 1.00 11.10 N +ATOM 977 CA LEU A 117 -14.951 -11.675 -24.972 1.00 12.43 C +ATOM 978 CB LEU A 117 -14.736 -10.149 -24.961 1.00 9.99 C +ATOM 979 CG LEU A 117 -16.027 -9.377 -25.081 1.00 12.19 C +ATOM 980 CD1 LEU A 117 -15.724 -7.897 -24.901 1.00 14.38 C +ATOM 981 CD2 LEU A 117 -16.672 -9.641 -26.437 1.00 10.14 C +ATOM 982 C LEU A 117 -13.638 -12.389 -25.214 1.00 10.88 C +ATOM 983 O LEU A 117 -13.328 -12.824 -26.351 1.00 11.53 O +ATOM 984 N MET A 118 -12.851 -12.502 -24.141 1.00 10.42 N +ATOM 985 CA MET A 118 -11.595 -13.206 -24.213 1.00 10.48 C +ATOM 986 CB MET A 118 -10.919 -13.204 -22.869 1.00 13.13 C +ATOM 987 CG MET A 118 -10.235 -11.881 -22.543 1.00 14.60 C +ATOM 988 SD MET A 118 -9.697 -11.993 -20.810 1.00 14.44 S +ATOM 989 CE MET A 118 -8.704 -10.514 -20.701 1.00 20.16 C +ATOM 990 C MET A 118 -11.761 -14.618 -24.698 1.00 9.46 C +ATOM 991 O MET A 118 -11.060 -15.045 -25.640 1.00 8.61 O +ATOM 992 N GLY A 119 -12.676 -15.347 -24.056 1.00 7.77 N +ATOM 993 CA GLY A 119 -12.966 -16.713 -24.453 1.00 11.08 C +ATOM 994 C GLY A 119 -13.568 -16.824 -25.877 1.00 11.34 C +ATOM 995 O GLY A 119 -13.253 -17.739 -26.634 1.00 8.29 O +ATOM 996 N TYR A 120 -14.462 -15.883 -26.208 1.00 11.77 N +ATOM 997 CA TYR A 120 -15.099 -15.824 -27.496 1.00 10.79 C +ATOM 998 CB TYR A 120 -16.149 -14.701 -27.575 1.00 9.35 C +ATOM 999 CG TYR A 120 -16.925 -14.827 -28.862 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 -18.014 -15.699 -28.991 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 -18.697 -15.813 -30.200 1.00 7.07 C +ATOM 1002 CZ TYR A 120 -18.264 -15.068 -31.291 1.00 7.22 C +ATOM 1003 OH TYR A 120 -18.818 -15.100 -32.514 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 -17.185 -14.218 -31.169 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 -16.536 -14.112 -29.972 1.00 8.76 C +ATOM 1006 C TYR A 120 -14.067 -15.673 -28.629 1.00 11.63 C +ATOM 1007 O TYR A 120 -14.038 -16.500 -29.602 1.00 7.78 O +ATOM 1008 N VAL A 121 -13.267 -14.598 -28.531 1.00 12.00 N +ATOM 1009 CA VAL A 121 -12.352 -14.233 -29.617 1.00 9.62 C +ATOM 1010 CB VAL A 121 -11.726 -12.835 -29.453 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -10.634 -12.584 -30.510 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -12.800 -11.761 -29.521 1.00 10.90 C +ATOM 1013 C VAL A 121 -11.298 -15.322 -29.746 1.00 10.36 C +ATOM 1014 O VAL A 121 -10.996 -15.801 -30.855 1.00 9.00 O +ATOM 1015 N TRP A 122 -10.773 -15.769 -28.604 1.00 10.35 N +ATOM 1016 CA TRP A 122 -9.756 -16.802 -28.633 1.00 10.59 C +ATOM 1017 CB TRP A 122 -9.291 -17.164 -27.216 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.260 -18.221 -27.287 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -7.018 -18.096 -27.792 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -6.368 -19.295 -27.736 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -7.208 -20.227 -27.196 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -8.415 -19.585 -26.922 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -9.458 -20.322 -26.367 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -9.251 -21.675 -26.112 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -8.037 -22.296 -26.416 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -7.005 -21.589 -26.948 1.00 14.95 C +ATOM 1027 C TRP A 122 -10.271 -18.098 -29.330 1.00 10.52 C +ATOM 1028 O TRP A 122 -9.642 -18.613 -30.253 1.00 6.62 O +ATOM 1029 N LEU A 123 -11.401 -18.616 -28.832 1.00 9.99 N +ATOM 1030 CA LEU A 123 -11.904 -19.899 -29.265 1.00 12.53 C +ATOM 1031 CB LEU A 123 -13.012 -20.423 -28.334 1.00 12.84 C +ATOM 1032 CG LEU A 123 -13.474 -21.836 -28.784 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -12.319 -22.836 -28.815 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -14.618 -22.355 -27.923 1.00 18.37 C +ATOM 1035 C LEU A 123 -12.394 -19.811 -30.720 1.00 12.42 C +ATOM 1036 O LEU A 123 -12.144 -20.703 -31.511 1.00 9.14 O +ATOM 1037 N ARG A 124 -13.066 -18.704 -31.059 1.00 12.68 N +ATOM 1038 CA ARG A 124 -13.569 -18.511 -32.418 1.00 13.93 C +ATOM 1039 CB ARG A 124 -14.383 -17.228 -32.483 1.00 14.88 C +ATOM 1040 CG ARG A 124 -15.127 -16.966 -33.767 1.00 18.68 C +ATOM 1041 CD ARG A 124 -16.425 -17.754 -33.906 1.00 18.98 C +ATOM 1042 NE ARG A 124 -16.953 -17.666 -35.274 1.00 18.18 N +ATOM 1043 CZ ARG A 124 -17.763 -16.712 -35.744 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 -18.205 -15.718 -34.996 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 -18.163 -16.771 -36.991 1.00 19.04 N +ATOM 1046 C ARG A 124 -12.387 -18.518 -33.388 1.00 11.93 C +ATOM 1047 O ARG A 124 -12.441 -19.155 -34.420 1.00 11.11 O +ATOM 1048 N GLY A 125 -11.317 -17.809 -33.015 1.00 11.83 N +ATOM 1049 CA GLY A 125 -10.048 -17.842 -33.713 1.00 13.33 C +ATOM 1050 C GLY A 125 -9.528 -19.251 -33.909 1.00 12.39 C +ATOM 1051 O GLY A 125 -9.235 -19.650 -35.019 1.00 14.55 O +ATOM 1052 N GLU A 126 -9.444 -20.019 -32.825 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.928 -21.380 -32.903 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.795 -21.999 -31.501 1.00 21.28 C +ATOM 1055 CG GLU A 126 -7.744 -21.326 -30.629 1.00 25.78 C +ATOM 1056 CD GLU A 126 -6.345 -21.288 -31.257 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -5.602 -22.272 -31.113 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -5.976 -20.258 -31.880 1.00 34.29 O +ATOM 1059 C GLU A 126 -9.757 -22.296 -33.811 1.00 22.38 C +ATOM 1060 O GLU A 126 -9.197 -23.086 -34.563 1.00 19.45 O +ATOM 1061 N ARG A 127 -11.091 -22.194 -33.732 1.00 24.01 N +ATOM 1062 CA ARG A 127 -11.986 -23.156 -34.386 1.00 25.28 C +ATOM 1063 CB ARG A 127 -13.231 -23.388 -33.528 1.00 25.96 C +ATOM 1064 CG ARG A 127 -12.970 -24.151 -32.236 1.00 30.58 C +ATOM 1065 CD ARG A 127 -14.247 -24.772 -31.668 1.00 33.46 C +ATOM 1066 NE ARG A 127 -14.721 -25.883 -32.494 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -15.973 -26.073 -32.918 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -16.962 -25.267 -32.566 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -16.248 -27.109 -33.692 1.00 35.07 N +ATOM 1070 C ARG A 127 -12.416 -22.743 -35.790 1.00 25.09 C +ATOM 1071 O ARG A 127 -12.815 -23.564 -36.580 1.00 38.00 O +ATOM 1072 N ASP A 128 -12.329 -21.450 -36.087 1.00 30.78 N +ATOM 1073 CA ASP A 128 -13.007 -20.860 -37.225 1.00 27.85 C +ATOM 1074 CB ASP A 128 -14.399 -20.412 -36.758 1.00 37.74 C +ATOM 1075 CG ASP A 128 -15.303 -19.951 -37.882 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -15.002 -20.198 -39.071 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 -16.343 -19.338 -37.537 1.00 23.64 O +ATOM 1078 C ASP A 128 -12.134 -19.685 -37.650 1.00 29.31 C +ATOM 1079 O ASP A 128 -12.553 -18.530 -37.595 1.00 21.22 O +ATOM 1080 N PRO A 129 -10.867 -19.970 -38.030 1.00 31.44 N +ATOM 1081 CA PRO A 129 -9.928 -18.958 -38.517 1.00 33.06 C +ATOM 1082 CB PRO A 129 -8.972 -19.795 -39.389 1.00 39.26 C +ATOM 1083 CG PRO A 129 -9.029 -21.188 -38.830 1.00 36.32 C +ATOM 1084 CD PRO A 129 -10.254 -21.310 -37.967 1.00 33.88 C +ATOM 1085 C PRO A 129 -10.464 -17.776 -39.345 1.00 26.37 C +ATOM 1086 O PRO A 129 -10.241 -16.636 -38.978 1.00 36.71 O +ATOM 1087 N GLN A 130 -11.126 -18.046 -40.468 1.00 29.64 N +ATOM 1088 CA GLN A 130 -11.389 -16.987 -41.437 1.00 39.65 C +ATOM 1089 CB GLN A 130 -11.025 -17.420 -42.873 1.00 44.02 C +ATOM 1090 CG GLN A 130 -9.710 -18.198 -43.046 1.00 46.53 C +ATOM 1091 CD GLN A 130 -8.468 -17.585 -42.384 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -8.529 -16.625 -41.606 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.320 -18.169 -42.695 1.00 49.29 N +ATOM 1094 C GLN A 130 -12.803 -16.394 -41.366 1.00 40.56 C +ATOM 1095 O GLN A 130 -13.372 -15.991 -42.378 1.00 43.17 O +ATOM 1096 N SER A 131 -13.350 -16.326 -40.149 1.00 36.80 N +ATOM 1097 CA SER A 131 -14.344 -15.316 -39.798 1.00 34.27 C +ATOM 1098 CB SER A 131 -15.177 -15.744 -38.589 1.00 42.18 C +ATOM 1099 OG SER A 131 -14.416 -16.498 -37.658 1.00 46.33 O +ATOM 1100 C SER A 131 -13.600 -14.000 -39.521 1.00 33.35 C +ATOM 1101 O SER A 131 -14.235 -12.954 -39.321 1.00 24.86 O +ATOM 1102 N GLY A 132 -12.254 -14.077 -39.521 1.00 25.71 N +ATOM 1103 CA GLY A 132 -11.366 -12.940 -39.432 1.00 23.70 C +ATOM 1104 C GLY A 132 -11.239 -12.417 -38.009 1.00 30.35 C +ATOM 1105 O GLY A 132 -10.857 -11.264 -37.797 1.00 28.25 O +ATOM 1106 N ILE A 133 -11.572 -13.260 -37.027 1.00 25.82 N +ATOM 1107 CA ILE A 133 -11.446 -12.896 -35.631 1.00 31.87 C +ATOM 1108 CB ILE A 133 -12.849 -12.743 -34.957 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -12.801 -11.670 -33.873 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -13.755 -11.894 -32.709 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -13.388 -14.072 -34.425 1.00 34.59 C +ATOM 1112 C ILE A 133 -10.533 -13.937 -34.951 1.00 32.43 C +ATOM 1113 O ILE A 133 -10.728 -15.152 -35.095 1.00 27.54 O +ATOM 1114 N TYR A 134 -9.509 -13.450 -34.241 1.00 29.47 N +ATOM 1115 CA TYR A 134 -8.621 -14.312 -33.448 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.613 -15.040 -34.350 1.00 25.02 C +ATOM 1117 CG TYR A 134 -6.583 -14.107 -34.925 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -6.905 -13.253 -35.990 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -5.964 -12.382 -36.519 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -4.686 -12.353 -35.977 1.00 37.28 C +ATOM 1121 OH TYR A 134 -3.757 -11.496 -36.505 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -4.340 -13.187 -34.925 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -5.282 -14.058 -34.406 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.893 -13.491 -32.383 1.00 22.78 C +ATOM 1125 O TYR A 134 -7.861 -12.269 -32.433 1.00 15.53 O +ATOM 1126 N LEU A 135 -7.321 -14.186 -31.401 1.00 20.92 N +ATOM 1127 CA LEU A 135 -6.534 -13.553 -30.353 1.00 20.28 C +ATOM 1128 CB LEU A 135 -7.028 -14.004 -28.972 1.00 17.40 C +ATOM 1129 CG LEU A 135 -6.514 -13.174 -27.803 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -6.937 -11.714 -27.899 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -6.991 -13.780 -26.499 1.00 18.34 C +ATOM 1132 C LEU A 135 -5.079 -13.948 -30.614 1.00 19.49 C +ATOM 1133 O LEU A 135 -4.699 -15.108 -30.433 1.00 21.86 O +ATOM 1134 N GLN A 136 -4.276 -12.980 -31.071 1.00 18.05 N +ATOM 1135 CA GLN A 136 -2.855 -13.180 -31.288 1.00 17.10 C +ATOM 1136 CB GLN A 136 -2.180 -11.867 -31.778 1.00 26.31 C +ATOM 1137 CG GLN A 136 -0.952 -12.070 -32.666 1.00 39.12 C +ATOM 1138 CD GLN A 136 -0.347 -10.782 -33.262 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -0.448 -10.549 -34.470 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 0.308 -9.969 -32.432 1.00 44.72 N +ATOM 1141 C GLN A 136 -2.223 -13.730 -29.975 1.00 11.77 C +ATOM 1142 O GLN A 136 -2.556 -13.291 -28.867 1.00 9.83 O +ATOM 1143 N ARG A 137 -1.373 -14.744 -30.132 1.00 9.13 N +ATOM 1144 CA ARG A 137 -0.495 -15.314 -29.111 1.00 9.26 C +ATOM 1145 CB ARG A 137 0.800 -15.704 -29.813 1.00 9.45 C +ATOM 1146 CG ARG A 137 0.732 -17.014 -30.553 1.00 7.99 C +ATOM 1147 CD ARG A 137 2.071 -17.263 -31.200 1.00 8.29 C +ATOM 1148 NE ARG A 137 2.145 -18.649 -31.559 1.00 7.81 N +ATOM 1149 CZ ARG A 137 3.209 -19.239 -32.033 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 4.332 -18.584 -32.246 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 3.140 -20.517 -32.283 1.00 7.93 N +ATOM 1152 C ARG A 137 -0.118 -14.402 -27.957 1.00 9.30 C +ATOM 1153 O ARG A 137 -0.435 -14.651 -26.786 1.00 7.70 O +ATOM 1154 N GLY A 138 0.580 -13.320 -28.306 1.00 10.91 N +ATOM 1155 CA GLY A 138 0.953 -12.307 -27.356 1.00 11.21 C +ATOM 1156 C GLY A 138 -0.191 -11.922 -26.484 1.00 11.70 C +ATOM 1157 O GLY A 138 -0.146 -12.069 -25.278 1.00 13.34 O +ATOM 1158 N LEU A 139 -1.253 -11.407 -27.097 1.00 14.08 N +ATOM 1159 CA LEU A 139 -2.358 -10.968 -26.318 1.00 18.01 C +ATOM 1160 CB LEU A 139 -3.413 -10.202 -27.144 1.00 28.25 C +ATOM 1161 CG LEU A 139 -3.097 -8.723 -27.426 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -2.734 -7.993 -26.140 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -1.984 -8.573 -28.462 1.00 43.14 C +ATOM 1164 C LEU A 139 -2.990 -12.082 -25.544 1.00 12.45 C +ATOM 1165 O LEU A 139 -3.573 -11.814 -24.510 1.00 12.20 O +ATOM 1166 N ILE A 140 -2.946 -13.317 -26.056 1.00 12.62 N +ATOM 1167 CA ILE A 140 -3.577 -14.387 -25.291 1.00 18.00 C +ATOM 1168 CB ILE A 140 -3.993 -15.656 -26.067 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -4.476 -16.800 -25.100 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -5.674 -16.528 -24.162 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -2.887 -16.154 -26.946 1.00 31.26 C +ATOM 1172 C ILE A 140 -2.757 -14.716 -24.071 1.00 14.01 C +ATOM 1173 O ILE A 140 -3.339 -15.009 -23.034 1.00 12.52 O +ATOM 1174 N ILE A 141 -1.424 -14.601 -24.169 1.00 10.25 N +ATOM 1175 CA ILE A 141 -0.623 -14.664 -22.963 1.00 9.31 C +ATOM 1176 CB ILE A 141 0.851 -14.452 -23.248 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 1.394 -15.732 -23.874 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 1.207 -16.942 -22.980 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 1.590 -13.997 -21.975 1.00 8.46 C +ATOM 1180 C ILE A 141 -1.130 -13.647 -21.932 1.00 8.65 C +ATOM 1181 O ILE A 141 -1.367 -13.995 -20.758 1.00 8.01 O +ATOM 1182 N PHE A 142 -1.343 -12.405 -22.369 1.00 7.17 N +ATOM 1184 CA PHE A 142 -1.687 -11.367 -21.429 1.00 6.50 C +ATOM 1186 CB PHE A 142 -1.398 -9.987 -22.018 1.00 6.27 C +ATOM 1188 CG PHE A 142 0.062 -9.756 -22.301 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 0.992 -9.689 -21.258 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 2.325 -9.484 -21.517 1.00 5.81 C +ATOM 1194 CZ PHE A 142 2.756 -9.369 -22.811 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 1.872 -9.432 -23.855 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 0.539 -9.640 -23.610 1.00 6.58 C +ATOM 1200 C PHE A 142 -3.108 -11.565 -20.914 1.00 7.08 C +ATOM 1202 O PHE A 142 -3.420 -11.250 -19.736 1.00 6.64 O +ATOM 1204 N ALA A 143 -3.977 -12.135 -21.761 1.00 7.18 N +ATOM 1205 CA ALA A 143 -5.318 -12.461 -21.313 1.00 7.45 C +ATOM 1206 CB ALA A 143 -6.216 -12.928 -22.456 1.00 8.30 C +ATOM 1207 C ALA A 143 -5.228 -13.538 -20.247 1.00 8.58 C +ATOM 1208 O ALA A 143 -5.854 -13.469 -19.172 1.00 8.72 O +ATOM 1209 N LEU A 144 -4.415 -14.544 -20.548 1.00 8.93 N +ATOM 1210 CA LEU A 144 -4.227 -15.637 -19.654 1.00 10.41 C +ATOM 1211 CB LEU A 144 -3.434 -16.694 -20.373 1.00 9.30 C +ATOM 1212 CG LEU A 144 -3.244 -17.993 -19.619 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -4.554 -18.693 -19.277 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -2.320 -18.886 -20.458 1.00 12.97 C +ATOM 1215 C LEU A 144 -3.642 -15.190 -18.254 1.00 10.09 C +ATOM 1216 O LEU A 144 -4.113 -15.624 -17.197 1.00 9.09 O +ATOM 1217 N ILE A 145 -2.651 -14.296 -18.264 1.00 9.56 N +ATOM 1218 CA ILE A 145 -2.120 -13.727 -17.030 1.00 9.18 C +ATOM 1219 CB ILE A 145 -0.899 -12.811 -17.336 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 0.327 -13.638 -17.742 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 1.454 -12.817 -18.303 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -0.486 -11.987 -16.141 1.00 9.74 C +ATOM 1223 C ILE A 145 -3.228 -12.977 -16.242 1.00 10.93 C +ATOM 1224 O ILE A 145 -3.312 -13.092 -15.021 1.00 9.25 O +ATOM 1225 N TRP A 146 -4.065 -12.209 -16.954 1.00 12.33 N +ATOM 1226 CA TRP A 146 -5.165 -11.463 -16.341 1.00 15.03 C +ATOM 1227 CB TRP A 146 -5.926 -10.645 -17.405 1.00 16.66 C +ATOM 1228 CG TRP A 146 -6.656 -9.479 -16.799 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.021 -9.261 -16.742 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -8.269 -8.080 -16.061 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -7.069 -7.536 -15.674 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -6.043 -8.385 -16.126 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -4.705 -8.038 -15.866 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -4.440 -6.866 -15.164 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -5.488 -6.042 -14.737 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -6.803 -6.364 -14.977 1.00 32.56 C +ATOM 1237 C TRP A 146 -6.123 -12.422 -15.606 1.00 13.29 C +ATOM 1238 O TRP A 146 -6.528 -12.190 -14.466 1.00 11.57 O +ATOM 1239 N ILE A 147 -6.422 -13.539 -16.260 1.00 12.37 N +ATOM 1240 CA ILE A 147 -7.304 -14.563 -15.705 1.00 13.81 C +ATOM 1241 CB ILE A 147 -7.634 -15.622 -16.786 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -8.498 -15.007 -17.903 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -8.600 -15.904 -19.118 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -8.363 -16.803 -16.192 1.00 13.86 C +ATOM 1245 C ILE A 147 -6.669 -15.201 -14.471 1.00 11.85 C +ATOM 1246 O ILE A 147 -7.312 -15.395 -13.473 1.00 11.58 O +ATOM 1247 N VAL A 148 -5.375 -15.519 -14.553 1.00 13.87 N +ATOM 1248 CA VAL A 148 -4.644 -16.047 -13.408 1.00 12.37 C +ATOM 1249 CB VAL A 148 -3.196 -16.394 -13.783 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -2.410 -16.828 -12.555 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -3.177 -17.526 -14.817 1.00 14.45 C +ATOM 1252 C VAL A 148 -4.671 -15.060 -12.224 1.00 12.18 C +ATOM 1253 O VAL A 148 -4.814 -15.468 -11.067 1.00 10.26 O +ATOM 1254 N ALA A 149 -4.504 -13.764 -12.515 1.00 12.37 N +ATOM 1255 CA ALA A 149 -4.485 -12.731 -11.482 1.00 13.92 C +ATOM 1256 CB ALA A 149 -4.332 -11.358 -12.103 1.00 12.52 C +ATOM 1257 C ALA A 149 -5.803 -12.783 -10.692 1.00 19.91 C +ATOM 1258 O ALA A 149 -5.806 -12.798 -9.442 1.00 18.95 O +ATOM 1259 N GLY A 150 -6.904 -12.810 -11.450 1.00 15.29 N +ATOM 1260 CA GLY A 150 -8.256 -12.875 -10.905 1.00 21.90 C +ATOM 1261 C GLY A 150 -8.462 -14.137 -10.087 1.00 21.19 C +ATOM 1262 O GLY A 150 -8.948 -14.061 -8.953 1.00 20.08 O +ATOM 1263 N TRP A 151 -8.021 -15.281 -10.620 1.00 14.25 N +ATOM 1264 CA TRP A 151 -8.285 -16.548 -9.971 1.00 16.10 C +ATOM 1265 CB TRP A 151 -7.849 -17.741 -10.846 1.00 21.32 C +ATOM 1266 CG TRP A 151 -8.320 -19.007 -10.245 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -7.578 -19.968 -9.604 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -8.394 -20.970 -9.142 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -9.698 -20.649 -9.435 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -9.687 -19.411 -10.128 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -10.910 -18.852 -10.556 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -12.084 -19.528 -10.276 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -12.068 -20.764 -9.582 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -10.892 -21.337 -9.155 1.00 47.28 C +ATOM 1275 C TRP A 151 -7.602 -16.632 -8.587 1.00 16.03 C +ATOM 1276 O TRP A 151 -8.180 -17.050 -7.605 1.00 20.42 O +ATOM 1277 N PHE A 152 -6.337 -16.236 -8.530 1.00 13.13 N +ATOM 1278 CA PHE A 152 -5.568 -16.298 -7.331 1.00 9.38 C +ATOM 1279 CB PHE A 152 -4.131 -16.685 -7.684 1.00 8.08 C +ATOM 1280 CG PHE A 152 -3.997 -18.078 -8.166 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -3.984 -19.115 -7.276 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -3.852 -20.424 -7.715 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -3.762 -20.691 -9.073 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -3.811 -19.642 -9.976 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -3.918 -18.345 -9.514 1.00 6.21 C +ATOM 1286 C PHE A 152 -5.635 -14.979 -6.574 1.00 9.61 C +ATOM 1287 O PHE A 152 -4.940 -14.804 -5.640 1.00 10.68 O +ATOM 1288 N ASP A 153 -6.525 -14.074 -6.975 1.00 15.13 N +ATOM 1289 CA ASP A 153 -6.747 -12.808 -6.286 1.00 18.45 C +ATOM 1290 CB ASP A 153 -7.506 -12.931 -4.933 1.00 27.46 C +ATOM 1291 CG ASP A 153 -8.097 -11.538 -4.468 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -8.341 -10.676 -5.365 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -8.270 -11.283 -3.243 1.00 24.69 O +ATOM 1294 C ASP A 153 -5.471 -12.050 -6.061 1.00 15.88 C +ATOM 1295 O ASP A 153 -5.151 -11.663 -4.951 1.00 13.39 O +ATOM 1296 N LEU A 154 -4.760 -11.785 -7.155 1.00 15.14 N +ATOM 1297 CA LEU A 154 -3.514 -11.056 -7.073 1.00 16.65 C +ATOM 1298 CB LEU A 154 -2.612 -11.488 -8.238 1.00 12.61 C +ATOM 1299 CG LEU A 154 -2.263 -12.991 -8.228 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -1.329 -13.348 -9.400 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -1.650 -13.412 -6.917 1.00 8.03 C +ATOM 1302 C LEU A 154 -3.761 -9.533 -6.979 1.00 17.35 C +ATOM 1303 O LEU A 154 -2.843 -8.766 -6.906 1.00 22.93 O +ATOM 1304 N PHE A 155 -5.027 -9.135 -6.885 1.00 24.98 N +ATOM 1305 CA PHE A 155 -5.470 -7.740 -6.884 1.00 33.79 C +ATOM 1306 CB PHE A 155 -6.689 -7.627 -7.772 1.00 27.67 C +ATOM 1307 CG PHE A 155 -6.377 -7.767 -9.235 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -5.379 -6.989 -9.829 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -5.117 -7.087 -11.181 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -5.853 -7.959 -11.966 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -6.850 -8.742 -11.391 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -7.114 -8.641 -10.031 1.00 34.21 C +ATOM 1313 C PHE A 155 -5.867 -7.217 -5.521 1.00 37.83 C +ATOM 1314 O PHE A 155 -5.827 -7.962 -4.538 1.00 28.41 O +ATOM 1315 N GLY A 156 -6.246 -5.927 -5.491 1.00 38.40 N +ATOM 1316 CA GLY A 156 -6.743 -5.242 -4.312 1.00 35.24 C +ATOM 1317 C GLY A 156 -7.885 -5.944 -3.584 1.00 26.60 C +ATOM 1318 O GLY A 156 -7.692 -6.539 -2.549 1.00 47.21 O +ATOM 1319 N MET A 157 -9.090 -5.860 -4.128 1.00 24.95 N +ATOM 1320 CA MET A 157 -10.263 -6.349 -3.437 1.00 28.59 C +ATOM 1321 CB MET A 157 -11.453 -5.410 -3.658 1.00 39.60 C +ATOM 1322 CG MET A 157 -12.231 -5.493 -4.980 1.00 47.28 C +ATOM 1323 SD MET A 157 -13.973 -4.938 -4.761 1.00 49.14 S +ATOM 1324 CE MET A 157 -13.735 -3.291 -4.057 1.00 47.84 C +ATOM 1325 C MET A 157 -10.567 -7.774 -3.852 1.00 26.25 C +ATOM 1326 O MET A 157 -9.877 -8.309 -4.675 1.00 24.50 O +ATOM 1327 N SER A 158 -11.611 -8.377 -3.270 1.00 24.79 N +ATOM 1328 CA SER A 158 -12.082 -9.692 -3.678 1.00 25.23 C +ATOM 1329 CB SER A 158 -13.214 -10.140 -2.787 1.00 32.87 C +ATOM 1330 OG SER A 158 -12.793 -10.084 -1.468 1.00 32.23 O +ATOM 1331 C SER A 158 -12.558 -9.746 -5.137 1.00 23.56 C +ATOM 1332 O SER A 158 -13.095 -8.784 -5.698 1.00 17.24 O +ATOM 1333 N MET A 159 -12.343 -10.901 -5.756 1.00 22.08 N +ATOM 1334 CA MET A 159 -12.718 -11.084 -7.133 1.00 24.12 C +ATOM 1335 CB MET A 159 -11.666 -11.937 -7.868 1.00 30.07 C +ATOM 1336 CG MET A 159 -10.327 -11.232 -8.061 1.00 25.31 C +ATOM 1337 SD MET A 159 -10.370 -9.941 -9.302 1.00 33.07 S +ATOM 1338 CE MET A 159 -10.441 -8.513 -8.200 1.00 33.31 C +ATOM 1339 C MET A 159 -14.078 -11.753 -7.142 1.00 18.37 C +ATOM 1340 O MET A 159 -14.401 -12.579 -6.280 1.00 14.74 O +ATOM 1341 N ALA A 160 -14.892 -11.390 -8.128 1.00 17.85 N +ATOM 1342 CA ALA A 160 -16.168 -12.063 -8.337 1.00 14.05 C +ATOM 1343 CB ALA A 160 -17.110 -11.125 -9.115 1.00 15.78 C +ATOM 1344 C ALA A 160 -15.809 -13.324 -9.119 1.00 12.19 C +ATOM 1345 O ALA A 160 -15.754 -13.298 -10.337 1.00 12.07 O +ATOM 1346 N ASN A 161 -15.521 -14.414 -8.398 1.00 13.53 N +ATOM 1347 CA ASN A 161 -15.058 -15.658 -9.016 1.00 19.51 C +ATOM 1348 CB ASN A 161 -14.528 -16.665 -8.008 1.00 17.89 C +ATOM 1349 CG ASN A 161 -13.295 -16.164 -7.275 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -13.261 -16.174 -6.051 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -12.284 -15.727 -8.010 1.00 23.40 N +ATOM 1352 C ASN A 161 -16.148 -16.328 -9.836 1.00 17.15 C +ATOM 1353 O ASN A 161 -15.869 -16.893 -10.893 1.00 12.86 O +ATOM 1354 N GLY A 162 -17.392 -16.188 -9.377 1.00 13.45 N +ATOM 1355 CA GLY A 162 -18.525 -16.754 -10.078 1.00 13.72 C +ATOM 1356 C GLY A 162 -18.781 -16.015 -11.358 1.00 11.46 C +ATOM 1357 O GLY A 162 -18.979 -16.632 -12.372 1.00 13.83 O +ATOM 1358 N ALA A 163 -18.791 -14.680 -11.304 1.00 12.52 N +ATOM 1359 CA ALA A 163 -18.925 -13.882 -12.512 1.00 12.63 C +ATOM 1360 CB ALA A 163 -18.895 -12.381 -12.225 1.00 14.33 C +ATOM 1361 C ALA A 163 -17.818 -14.238 -13.510 1.00 15.22 C +ATOM 1362 O ALA A 163 -18.060 -14.217 -14.715 1.00 15.81 O +ATOM 1363 N HIS A 164 -16.588 -14.476 -13.023 1.00 16.26 N +ATOM 1364 CA HIS A 164 -15.468 -14.737 -13.942 1.00 13.79 C +ATOM 1365 CB HIS A 164 -14.120 -14.688 -13.243 1.00 13.42 C +ATOM 1366 CG HIS A 164 -13.655 -13.301 -12.946 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -12.754 -13.016 -11.946 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -12.510 -11.720 -11.927 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -13.262 -11.142 -12.844 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -13.988 -12.112 -13.497 1.00 16.05 C +ATOM 1371 C HIS A 164 -15.638 -16.055 -14.678 1.00 15.17 C +ATOM 1372 O HIS A 164 -15.452 -16.110 -15.904 1.00 9.69 O +ATOM 1373 N ILE A 165 -15.983 -17.106 -13.918 1.00 14.29 N +ATOM 1374 CA ILE A 165 -16.095 -18.444 -14.444 1.00 16.34 C +ATOM 1375 CB ILE A 165 -16.367 -19.507 -13.357 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -15.286 -19.530 -12.295 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -15.763 -20.142 -10.977 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -16.426 -20.898 -13.977 1.00 25.23 C +ATOM 1379 C ILE A 165 -17.276 -18.459 -15.421 1.00 13.49 C +ATOM 1380 O ILE A 165 -17.173 -18.978 -16.511 1.00 14.19 O +ATOM 1381 N ALA A 166 -18.401 -17.872 -15.012 1.00 11.61 N +ATOM 1382 CA ALA A 166 -19.587 -17.847 -15.836 1.00 12.97 C +ATOM 1383 CB ALA A 166 -20.725 -17.302 -15.030 1.00 13.37 C +ATOM 1384 C ALA A 166 -19.393 -17.069 -17.182 1.00 12.77 C +ATOM 1385 O ALA A 166 -19.821 -17.522 -18.243 1.00 16.05 O +ATOM 1386 N GLY A 167 -18.704 -15.935 -17.124 1.00 11.83 N +ATOM 1387 CA GLY A 167 -18.468 -15.080 -18.274 1.00 12.25 C +ATOM 1388 C GLY A 167 -17.572 -15.815 -19.252 1.00 16.57 C +ATOM 1389 O GLY A 167 -17.886 -15.913 -20.432 1.00 15.94 O +ATOM 1390 N LEU A 168 -16.481 -16.396 -18.740 1.00 16.37 N +ATOM 1391 CA LEU A 168 -15.550 -17.161 -19.584 1.00 18.66 C +ATOM 1392 CB LEU A 168 -14.395 -17.743 -18.762 1.00 16.91 C +ATOM 1393 CG LEU A 168 -13.295 -18.532 -19.496 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -12.674 -17.710 -20.624 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -12.235 -18.914 -18.477 1.00 18.17 C +ATOM 1396 C LEU A 168 -16.306 -18.303 -20.287 1.00 17.50 C +ATOM 1397 O LEU A 168 -16.173 -18.465 -21.486 1.00 15.54 O +ATOM 1398 N ALA A 169 -17.095 -19.065 -19.514 1.00 15.54 N +ATOM 1399 CA ALA A 169 -17.919 -20.149 -20.029 1.00 19.82 C +ATOM 1400 CB ALA A 169 -18.741 -20.769 -18.908 1.00 20.15 C +ATOM 1401 C ALA A 169 -18.851 -19.703 -21.155 1.00 17.04 C +ATOM 1402 O ALA A 169 -18.967 -20.373 -22.157 1.00 18.40 O +ATOM 1403 N VAL A 170 -19.549 -18.585 -20.943 1.00 16.33 N +ATOM 1404 CA VAL A 170 -20.476 -18.047 -21.933 1.00 15.30 C +ATOM 1405 CB VAL A 170 -21.156 -16.777 -21.399 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 -21.754 -15.942 -22.516 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 -22.234 -17.140 -20.438 1.00 17.75 C +ATOM 1408 C VAL A 170 -19.749 -17.738 -23.264 1.00 12.50 C +ATOM 1409 O VAL A 170 -20.235 -18.076 -24.332 1.00 15.58 O +ATOM 1410 N GLY A 171 -18.588 -17.095 -23.165 1.00 12.65 N +ATOM 1411 CA GLY A 171 -17.770 -16.739 -24.302 1.00 12.55 C +ATOM 1412 C GLY A 171 -17.355 -17.965 -25.110 1.00 12.05 C +ATOM 1413 O GLY A 171 -17.502 -18.021 -26.329 1.00 10.67 O +ATOM 1414 N LEU A 172 -16.791 -18.948 -24.411 1.00 12.60 N +ATOM 1415 CA LEU A 172 -16.343 -20.188 -25.033 1.00 10.75 C +ATOM 1416 CB LEU A 172 -15.728 -21.126 -24.001 1.00 10.43 C +ATOM 1417 CG LEU A 172 -14.402 -20.604 -23.405 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -13.891 -21.583 -22.350 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -13.297 -20.267 -24.398 1.00 9.57 C +ATOM 1420 C LEU A 172 -17.500 -20.878 -25.753 1.00 10.15 C +ATOM 1421 O LEU A 172 -17.354 -21.344 -26.876 1.00 11.39 O +ATOM 1422 N ALA A 173 -18.661 -20.902 -25.100 1.00 11.33 N +ATOM 1423 CA ALA A 173 -19.839 -21.608 -25.573 1.00 11.38 C +ATOM 1424 CB ALA A 173 -20.878 -21.715 -24.445 1.00 11.60 C +ATOM 1425 C ALA A 173 -20.454 -20.953 -26.806 1.00 10.08 C +ATOM 1426 O ALA A 173 -20.920 -21.632 -27.696 1.00 6.75 O +ATOM 1427 N MET A 174 -20.518 -19.618 -26.803 1.00 11.63 N +ATOM 1428 CA MET A 174 -20.998 -18.894 -27.960 1.00 11.25 C +ATOM 1429 CB MET A 174 -21.244 -17.431 -27.629 1.00 12.02 C +ATOM 1430 CG MET A 174 -22.491 -17.213 -26.769 1.00 15.32 C +ATOM 1431 SD MET A 174 -22.652 -15.460 -26.317 1.00 15.04 S +ATOM 1432 CE MET A 174 -23.567 -14.852 -27.762 1.00 12.84 C +ATOM 1433 C MET A 174 -20.051 -19.042 -29.156 1.00 11.07 C +ATOM 1434 O MET A 174 -20.509 -19.108 -30.327 1.00 9.35 O +ATOM 1435 N ALA A 175 -18.741 -19.094 -28.864 1.00 11.79 N +ATOM 1436 CA ALA A 175 -17.715 -19.291 -29.891 1.00 11.52 C +ATOM 1437 CB ALA A 175 -16.307 -19.138 -29.304 1.00 12.52 C +ATOM 1438 C ALA A 175 -17.893 -20.652 -30.563 1.00 10.15 C +ATOM 1439 O ALA A 175 -17.836 -20.754 -31.767 1.00 9.36 O +ATOM 1440 N PHE A 176 -18.119 -21.676 -29.737 1.00 10.78 N +ATOM 1441 CA PHE A 176 -18.413 -23.045 -30.134 1.00 11.72 C +ATOM 1442 CB PHE A 176 -18.642 -23.920 -28.884 1.00 14.22 C +ATOM 1443 CG PHE A 176 -18.909 -25.340 -29.204 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -17.870 -26.236 -29.315 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -18.116 -27.543 -29.660 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -19.408 -27.968 -29.904 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 -20.453 -27.086 -29.800 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 -20.200 -25.775 -29.451 1.00 23.15 C +ATOM 1449 C PHE A 176 -19.637 -23.109 -31.031 1.00 11.73 C +ATOM 1450 O PHE A 176 -19.594 -23.676 -32.137 1.00 11.14 O +ATOM 1451 N VAL A 177 -20.732 -22.514 -30.553 1.00 10.67 N +ATOM 1452 CA VAL A 177 -21.972 -22.474 -31.299 1.00 11.71 C +ATOM 1453 CB VAL A 177 -23.124 -21.816 -30.475 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 -24.351 -21.503 -31.364 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 -23.500 -22.709 -29.270 1.00 16.83 C +ATOM 1456 C VAL A 177 -21.757 -21.749 -32.628 1.00 8.91 C +ATOM 1457 O VAL A 177 -22.110 -22.269 -33.632 1.00 6.73 O +ATOM 1458 N ASP A 178 -21.140 -20.562 -32.602 1.00 9.91 N +ATOM 1459 CA ASP A 178 -20.860 -19.807 -33.830 1.00 10.55 C +ATOM 1460 CB ASP A 178 -20.314 -18.443 -33.541 1.00 9.42 C +ATOM 1461 CG ASP A 178 -21.311 -17.551 -32.848 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 -22.482 -17.969 -32.724 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 -20.942 -16.404 -32.443 1.00 9.20 O +ATOM 1464 C ASP A 178 -19.914 -20.516 -34.810 1.00 11.79 C +ATOM 1465 O ASP A 178 -19.980 -20.263 -36.008 1.00 11.79 O +ATOM 1466 N SER A 179 -19.083 -21.427 -34.293 1.00 15.85 N +ATOM 1467 CA SER A 179 -18.131 -22.198 -35.089 1.00 17.77 C +ATOM 1468 CB SER A 179 -17.040 -22.742 -34.190 1.00 18.19 C +ATOM 1469 OG SER A 179 -16.232 -21.704 -33.711 1.00 25.24 O +ATOM 1470 C SER A 179 -18.751 -23.394 -35.791 1.00 25.25 C +ATOM 1471 O SER A 179 -18.105 -24.032 -36.648 1.00 25.62 O +ATOM 1472 N LEU A 180 -19.975 -23.760 -35.399 1.00 26.63 N +ATOM 1473 CA LEU A 180 -20.624 -24.883 -36.046 1.00 29.49 C +ATOM 1474 CB LEU A 180 -21.762 -25.421 -35.188 1.00 27.08 C +ATOM 1475 CG LEU A 180 -21.310 -26.146 -33.923 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 -22.537 -26.576 -33.144 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 -20.447 -27.352 -34.239 1.00 25.61 C +ATOM 1478 C LEU A 180 -21.059 -24.472 -37.466 1.00 36.61 C +ATOM 1479 O LEU A 180 -20.985 -25.292 -38.408 1.00 32.04 O +ATOM 1480 N ASN A 181 -21.451 -23.195 -37.611 1.00 38.78 N +ATOM 1481 CA ASN A 181 -21.787 -22.589 -38.906 1.00 54.97 C +ATOM 1482 CB ASN A 181 -22.483 -21.225 -38.728 1.00 67.37 C +ATOM 1483 CG ASN A 181 -23.631 -21.253 -37.711 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 -24.784 -21.543 -38.050 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 -23.319 -20.910 -36.463 1.00 60.66 N +ATOM 1486 C ASN A 181 -20.538 -22.395 -39.803 1.00 76.54 C +ATOM 1487 O ASN A 181 -19.536 -21.785 -39.371 1.00 63.45 O +ATOM 1488 N ALA A 182 -20.624 -22.914 -41.042 1.00 63.44 N +ATOM 1489 CA ALA A 182 -19.555 -22.886 -42.054 1.00 54.25 C +ATOM 1490 CB ALA A 182 -19.493 -21.529 -42.745 1.00 52.80 C +ATOM 1491 C ALA A 182 -18.185 -23.263 -41.489 1.00 57.61 C +ATOM 1492 O ALA A 182 -18.081 -24.122 -40.612 1.00 50.41 O +TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/mutation_clean.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/mutation_clean.txt new file mode 100644 index 0000000..7565af1 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/mutation_clean.txt @@ -0,0 +1,3 @@ +Q 100 QA +M 10 MA +S 111 SA H 164 HA diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/structure_input_A.json b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/structure_input_A.json new file mode 100644 index 0000000..072ef2f --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/structure_input_A.json @@ -0,0 +1,1293 @@ +{ +"resdata": { +"1": [ +"E", +1, +"A" +], +"2": [ +"R", +2, +"A" +], +"3": [ +"A", +3, +"A" +], +"4": [ +"G", +4, +"A" +], +"5": [ +"P", +5, +"A" +], +"6": [ +"V", +6, +"A" +], +"7": [ +"T", +7, +"A" +], +"8": [ +"W", +8, +"A" +], +"9": [ +"V", +9, +"A" +], +"10": [ +"M", +10, +"A" +], +"11": [ +"M", +11, +"A" +], +"12": [ +"I", +12, +"A" +], +"13": [ +"A", +13, +"A" +], +"14": [ +"C", +14, +"A" +], +"15": [ +"V", +15, +"A" +], +"16": [ +"V", +16, +"A" +], +"17": [ +"V", +17, +"A" +], +"18": 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+"ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA" +] +}, +"DBREF": {}, +"alignment": { +"A": [] +} +} \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/withHETATM.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/withHETATM.pdb new file mode 100644 index 0000000..b6c193a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/cleaning/withHETATM.pdb @@ -0,0 +1,1492 @@ +ATOM 1 N GLU A 1 -11.028 5.746 -37.310 1.00 43.35 N +ATOM 2 CA GLU A 1 -11.660 5.231 -36.061 1.00 55.59 C +ATOM 3 CB GLU A 1 -13.172 5.420 -36.133 1.00 53.53 C +ATOM 4 CG GLU A 1 -13.853 5.660 -34.801 1.00 34.05 C +ATOM 5 CD GLU A 1 -15.306 5.943 -35.034 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -16.062 4.963 -35.143 1.00 53.50 O +ATOM 7 OE2 GLU A 1 -15.691 7.128 -35.157 1.00 36.54 O +ATOM 8 C GLU A 1 -11.305 3.763 -35.795 1.00 46.53 C +ATOM 9 O GLU A 1 -10.191 3.336 -36.122 1.00 50.24 O +ATOM 10 N ARG A 2 -12.259 3.014 -35.221 1.00 38.93 N +ATOM 11 CA ARG A 2 -12.030 1.706 -34.590 1.00 54.74 C +ATOM 12 CB ARG A 2 -10.826 1.774 -33.603 1.00 50.45 C +ATOM 13 CG ARG A 2 -10.786 0.769 -32.445 1.00 57.12 C +ATOM 14 CD ARG A 2 -9.796 -0.375 -32.638 1.00 57.44 C +ATOM 15 NE ARG A 2 -10.273 -1.652 -32.072 1.00 52.68 N +ATOM 16 CZ ARG A 2 -9.692 -2.835 -32.301 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -8.591 -2.930 -33.062 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -10.191 -3.936 -31.764 1.00 28.66 N +ATOM 19 C ARG A 2 -13.339 1.255 -33.902 1.00 66.99 C +ATOM 20 O ARG A 2 -13.984 0.312 -34.361 1.00 85.13 O +ATOM 21 N ALA A 3 -13.720 1.949 -32.818 1.00 43.05 N +ATOM 22 CA ALA A 3 -14.920 1.643 -32.019 1.00 41.35 C +ATOM 23 CB ALA A 3 -14.865 2.391 -30.663 1.00 34.83 C +ATOM 24 C ALA A 3 -16.260 1.980 -32.735 1.00 29.58 C +ATOM 25 O ALA A 3 -16.581 3.165 -32.922 1.00 21.07 O +ATOM 26 N GLY A 4 -17.031 0.942 -33.099 1.00 20.97 N +ATOM 27 CA GLY A 4 -18.424 1.093 -33.472 1.00 16.58 C +ATOM 28 C GLY A 4 -19.279 1.634 -32.320 1.00 18.06 C +ATOM 29 O GLY A 4 -18.819 1.789 -31.180 1.00 16.28 O +ATOM 30 N PRO A 5 -20.584 1.890 -32.564 1.00 12.89 N +ATOM 31 CA PRO A 5 -21.440 2.520 -31.556 1.00 10.80 C +ATOM 32 CB PRO A 5 -22.793 2.697 -32.298 1.00 10.45 C +ATOM 33 CG PRO A 5 -22.723 1.727 -33.430 1.00 9.74 C +ATOM 34 CD PRO A 5 -21.288 1.576 -33.817 1.00 10.46 C +ATOM 35 C PRO A 5 -21.631 1.713 -30.297 1.00 11.27 C +ATOM 36 O PRO A 5 -21.805 2.300 -29.242 1.00 13.59 O +ATOM 37 N VAL A 6 -21.670 0.382 -30.393 1.00 9.93 N +ATOM 38 CA VAL A 6 -21.903 -0.402 -29.192 1.00 12.26 C +ATOM 39 CB VAL A 6 -22.267 -1.859 -29.504 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -22.352 -2.680 -28.221 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -23.582 -1.919 -30.282 1.00 17.43 C +ATOM 42 C VAL A 6 -20.649 -0.346 -28.331 1.00 10.99 C +ATOM 43 O VAL A 6 -20.721 -0.092 -27.128 1.00 8.01 O +ATOM 44 N THR A 7 -19.486 -0.556 -28.961 1.00 10.58 N +ATOM 45 CA THR A 7 -18.211 -0.402 -28.243 1.00 12.65 C +ATOM 46 CB THR A 7 -17.023 -0.546 -29.178 1.00 11.06 C +ATOM 47 OG1 THR A 7 -17.079 -1.854 -29.799 1.00 10.95 O +ATOM 48 CG2 THR A 7 -15.753 -0.391 -28.343 1.00 11.91 C +ATOM 49 C THR A 7 -18.123 0.932 -27.492 1.00 13.19 C +ATOM 50 O THR A 7 -17.774 0.984 -26.324 1.00 10.71 O +ATOM 51 N TRP A 8 -18.537 1.997 -28.185 1.00 13.70 N +ATOM 52 CA TRP A 8 -18.462 3.365 -27.698 1.00 14.00 C +ATOM 53 CB TRP A 8 -18.728 4.260 -28.886 1.00 11.57 C +ATOM 54 CG TRP A 8 -18.831 5.682 -28.664 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -19.861 6.478 -29.057 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -19.600 7.775 -28.773 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -18.374 7.857 -28.171 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -17.856 6.547 -28.098 1.00 20.29 C +ATOM 59 CE3 TRP A 8 -16.598 6.351 -27.535 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 -15.912 7.458 -27.032 1.00 29.87 C +ATOM 61 CH2 TRP A 8 -16.450 8.761 -27.127 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -17.674 8.981 -27.690 1.00 23.41 C +ATOM 63 C TRP A 8 -19.452 3.650 -26.576 1.00 11.19 C +ATOM 64 O TRP A 8 -19.106 4.243 -25.566 1.00 9.21 O +ATOM 65 N VAL A 9 -20.707 3.268 -26.783 1.00 10.48 N +ATOM 66 CA VAL A 9 -21.727 3.611 -25.837 1.00 13.92 C +ATOM 67 CB VAL A 9 -23.153 3.397 -26.386 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -24.179 3.428 -25.261 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -23.471 4.477 -27.383 1.00 20.11 C +ATOM 70 C VAL A 9 -21.470 2.915 -24.494 1.00 10.13 C +ATOM 71 O VAL A 9 -21.661 3.499 -23.473 1.00 7.20 O +ATOM 72 N MET A 10 -20.985 1.675 -24.521 1.00 10.15 N +ATOM 73 CA MET A 10 -20.664 0.997 -23.282 1.00 11.00 C +ATOM 74 CB MET A 10 -20.223 -0.414 -23.620 1.00 14.36 C +ATOM 75 CG MET A 10 -19.564 -1.170 -22.469 1.00 16.11 C +ATOM 76 SD MET A 10 -20.725 -1.497 -21.127 1.00 21.05 S +ATOM 77 CE MET A 10 -21.787 -2.724 -21.857 1.00 21.21 C +ATOM 78 C MET A 10 -19.540 1.742 -22.498 1.00 13.64 C +ATOM 79 O MET A 10 -19.565 1.770 -21.251 1.00 12.82 O +ATOM 80 N MET A 11 -18.522 2.247 -23.230 1.00 12.90 N +ATOM 81 CA MET A 11 -17.381 3.008 -22.650 1.00 14.44 C +ATOM 82 CB MET A 11 -16.332 3.335 -23.723 1.00 12.49 C +ATOM 83 CG MET A 11 -15.542 2.102 -24.136 1.00 14.38 C +ATOM 84 SD MET A 11 -14.409 2.240 -25.555 1.00 14.01 S +ATOM 85 CE MET A 11 -12.914 2.769 -24.707 1.00 15.48 C +ATOM 86 C MET A 11 -17.889 4.290 -21.992 1.00 13.69 C +ATOM 87 O MET A 11 -17.627 4.550 -20.827 1.00 13.74 O +ATOM 88 N ILE A 12 -18.663 5.057 -22.754 1.00 12.10 N +ATOM 89 CA ILE A 12 -19.306 6.246 -22.251 1.00 17.28 C +ATOM 90 CB ILE A 12 -20.241 6.822 -23.333 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -19.417 7.511 -24.389 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -20.238 7.899 -25.620 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -21.257 7.787 -22.733 1.00 23.33 C +ATOM 94 C ILE A 12 -20.109 5.934 -20.974 1.00 13.47 C +ATOM 95 O ILE A 12 -19.965 6.585 -19.940 1.00 14.37 O +ATOM 96 N ALA A 13 -20.958 4.911 -21.062 1.00 14.13 N +ATOM 97 CA ALA A 13 -21.818 4.508 -19.973 1.00 11.62 C +ATOM 98 CB ALA A 13 -22.698 3.371 -20.385 1.00 10.69 C +ATOM 99 C ALA A 13 -21.034 4.140 -18.716 1.00 13.08 C +ATOM 100 O ALA A 13 -21.401 4.557 -17.642 1.00 14.09 O +ATOM 101 N CYS A 14 -19.943 3.376 -18.869 1.00 12.24 N +ATOM 102 CA CYS A 14 -19.097 3.010 -17.727 1.00 14.03 C +ATOM 103 CB CYS A 14 -18.038 1.968 -18.160 1.00 12.92 C +ATOM 104 SG CYS A 14 -18.730 0.330 -18.396 1.00 12.25 S +ATOM 105 C CYS A 14 -18.395 4.238 -17.073 1.00 12.57 C +ATOM 106 O CYS A 14 -18.242 4.318 -15.843 1.00 9.48 O +ATOM 107 N VAL A 15 -17.987 5.190 -17.915 1.00 9.94 N +ATOM 108 CA VAL A 15 -17.331 6.370 -17.427 1.00 11.41 C +ATOM 109 CB VAL A 15 -16.645 7.124 -18.546 1.00 11.06 C +ATOM 110 CG1 VAL A 15 -16.127 8.433 -17.995 1.00 10.96 C +ATOM 111 CG2 VAL A 15 -15.492 6.259 -19.116 1.00 10.71 C +ATOM 112 C VAL A 15 -18.313 7.252 -16.655 1.00 13.34 C +ATOM 113 O VAL A 15 -18.021 7.700 -15.533 1.00 9.03 O +ATOM 114 N VAL A 16 -19.489 7.467 -17.243 1.00 13.58 N +ATOM 115 CA VAL A 16 -20.539 8.254 -16.575 1.00 18.01 C +ATOM 116 CB VAL A 16 -21.782 8.415 -17.479 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -22.943 8.990 -16.709 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -21.474 9.349 -18.628 1.00 15.20 C +ATOM 119 C VAL A 16 -20.907 7.633 -15.207 1.00 12.72 C +ATOM 120 O VAL A 16 -21.034 8.339 -14.222 1.00 10.60 O +ATOM 121 N VAL A 17 -21.093 6.309 -15.174 1.00 11.76 N +ATOM 122 CA VAL A 17 -21.417 5.647 -13.943 1.00 11.25 C +ATOM 123 CB VAL A 17 -21.792 4.185 -14.137 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -21.991 3.501 -12.758 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -23.072 4.076 -14.958 1.00 13.31 C +ATOM 126 C VAL A 17 -20.270 5.796 -12.905 1.00 10.41 C +ATOM 127 O VAL A 17 -20.516 6.054 -11.747 1.00 7.15 O +ATOM 128 N PHE A 18 -19.023 5.680 -13.368 1.00 9.81 N +ATOM 129 CA PHE A 18 -17.865 5.812 -12.502 1.00 8.70 C +ATOM 130 CB PHE A 18 -16.596 5.523 -13.320 1.00 9.07 C +ATOM 131 CG PHE A 18 -15.357 5.360 -12.473 1.00 9.17 C +ATOM 132 CD1 PHE A 18 -15.208 4.245 -11.642 1.00 9.97 C +ATOM 133 CE1 PHE A 18 -14.067 4.083 -10.869 1.00 11.77 C +ATOM 134 CZ PHE A 18 -13.077 5.039 -10.897 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -13.223 6.141 -11.730 1.00 12.88 C +ATOM 136 CD2 PHE A 18 -14.374 6.284 -12.509 1.00 9.87 C +ATOM 137 C PHE A 18 -17.806 7.196 -11.854 1.00 8.93 C +ATOM 138 O PHE A 18 -17.469 7.344 -10.677 1.00 9.10 O +ATOM 139 N ILE A 19 -18.101 8.232 -12.649 1.00 8.90 N +ATOM 140 CA ILE A 19 -18.159 9.587 -12.175 1.00 8.28 C +ATOM 141 CB ILE A 19 -18.435 10.553 -13.328 1.00 9.07 C +ATOM 142 CG1 ILE A 19 -17.195 10.650 -14.216 1.00 8.90 C +ATOM 143 CD1 ILE A 19 -17.381 11.547 -15.426 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -18.762 11.939 -12.794 1.00 9.09 C +ATOM 145 C ILE A 19 -19.238 9.749 -11.090 1.00 8.37 C +ATOM 146 O ILE A 19 -18.994 10.331 -10.007 1.00 7.02 O +ATOM 147 N ALA A 20 -20.427 9.220 -11.378 1.00 8.61 N +ATOM 148 CA ALA A 20 -21.519 9.247 -10.437 1.00 8.46 C +ATOM 149 CB ALA A 20 -22.711 8.516 -11.008 1.00 6.88 C +ATOM 150 C ALA A 20 -21.076 8.579 -9.111 1.00 9.83 C +ATOM 151 O ALA A 20 -21.442 9.044 -8.011 1.00 10.17 O +ATOM 152 N MET A 21 -20.339 7.460 -9.226 1.00 8.36 N +ATOM 153 CA MET A 21 -19.876 6.735 -8.085 1.00 7.84 C +ATOM 154 CB MET A 21 -19.253 5.396 -8.512 1.00 10.18 C +ATOM 155 CG MET A 21 -20.228 4.416 -9.109 1.00 9.75 C +ATOM 156 SD MET A 21 -19.506 2.866 -9.692 1.00 11.62 S +ATOM 157 CE MET A 21 -19.216 2.099 -8.089 1.00 11.65 C +ATOM 158 C MET A 21 -18.891 7.594 -7.289 1.00 8.45 C +ATOM 159 O MET A 21 -18.877 7.545 -6.054 1.00 9.99 O +ATOM 160 N GLN A 22 -18.068 8.406 -7.967 1.00 8.76 N +ATOM 161 CA GLN A 22 -17.092 9.267 -7.216 1.00 8.75 C +ATOM 162 CB GLN A 22 -15.963 9.856 -8.094 1.00 8.72 C +ATOM 163 CG GLN A 22 -15.186 8.869 -8.976 1.00 13.04 C +ATOM 164 CD GLN A 22 -14.890 7.522 -8.300 1.00 12.79 C +ATOM 165 OE1 GLN A 22 -14.155 7.480 -7.319 1.00 11.44 O +ATOM 166 NE2 GLN A 22 -15.478 6.427 -8.817 1.00 13.13 N +ATOM 167 C GLN A 22 -17.777 10.424 -6.464 1.00 8.93 C +ATOM 168 O GLN A 22 -17.309 10.854 -5.442 1.00 9.72 O +ATOM 169 N ILE A 23 -18.868 10.949 -7.016 1.00 8.82 N +ATOM 170 CA ILE A 23 -19.588 12.065 -6.435 1.00 8.84 C +ATOM 171 CB ILE A 23 -20.514 12.713 -7.501 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -19.681 13.332 -8.648 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -20.513 13.636 -9.886 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -21.428 13.761 -6.878 1.00 8.45 C +ATOM 175 C ILE A 23 -20.459 11.573 -5.287 1.00 8.69 C +ATOM 176 O ILE A 23 -20.423 12.087 -4.190 1.00 8.45 O +ATOM 177 N LEU A 24 -21.273 10.558 -5.576 1.00 9.04 N +ATOM 178 CA LEU A 24 -22.298 10.047 -4.672 1.00 9.19 C +ATOM 179 CB LEU A 24 -23.412 9.485 -5.527 1.00 9.90 C +ATOM 180 CG LEU A 24 -24.189 10.446 -6.432 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -25.287 9.691 -7.192 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -24.768 11.600 -5.601 1.00 13.72 C +ATOM 183 C LEU A 24 -21.794 8.934 -3.706 1.00 10.54 C +ATOM 184 O LEU A 24 -22.457 8.625 -2.690 1.00 10.70 O +ATOM 185 N GLY A 25 -20.642 8.324 -4.047 1.00 9.22 N +ATOM 186 CA GLY A 25 -20.122 7.175 -3.339 1.00 8.44 C +ATOM 187 C GLY A 25 -20.647 5.920 -4.015 1.00 7.11 C +ATOM 188 O GLY A 25 -21.712 5.896 -4.632 1.00 8.08 O +ATOM 189 N ASP A 26 -19.851 4.861 -3.954 1.00 7.41 N +ATOM 190 CA ASP A 26 -20.210 3.567 -4.547 1.00 8.57 C +ATOM 191 CB ASP A 26 -19.143 2.543 -4.199 1.00 8.77 C +ATOM 192 CG ASP A 26 -17.789 2.832 -4.875 1.00 11.15 C +ATOM 193 OD1 ASP A 26 -17.660 3.828 -5.668 1.00 9.80 O +ATOM 194 OD2 ASP A 26 -16.844 2.069 -4.550 1.00 13.47 O +ATOM 195 C ASP A 26 -21.564 2.994 -4.109 1.00 8.19 C +ATOM 196 O ASP A 26 -22.330 2.485 -4.923 1.00 7.73 O +ATOM 197 N AGLN A 27 -21.860 3.088 -2.810 0.57 9.65 N +ATOM 198 N BGLN A 27 -21.849 3.035 -2.803 0.43 7.76 N +ATOM 199 CA AGLN A 27 -23.002 2.356 -2.268 0.57 10.93 C +ATOM 200 CA BGLN A 27 -23.046 2.358 -2.324 0.43 7.64 C +ATOM 201 CB AGLN A 27 -22.862 1.994 -0.758 0.57 12.23 C +ATOM 202 CB BGLN A 27 -23.176 2.297 -0.811 0.43 6.67 C +ATOM 203 CG AGLN A 27 -22.007 2.844 0.196 0.57 14.65 C +ATOM 204 CG BGLN A 27 -24.458 1.554 -0.507 0.43 6.35 C +ATOM 205 CD AGLN A 27 -20.578 3.163 -0.253 0.57 13.37 C +ATOM 206 CD BGLN A 27 -24.382 0.598 0.656 0.43 5.63 C +ATOM 207 OE1AGLN A 27 -20.253 4.311 -0.459 0.57 10.98 O +ATOM 208 OE1BGLN A 27 -23.513 0.707 1.515 0.43 5.20 O +ATOM 209 NE2AGLN A 27 -19.731 2.148 -0.390 0.57 18.13 N +ATOM 210 NE2BGLN A 27 -25.340 -0.314 0.714 0.43 5.25 N +ATOM 211 C AGLN A 27 -24.357 3.011 -2.667 0.57 10.39 C +ATOM 212 C BGLN A 27 -24.300 3.002 -2.899 0.43 8.17 C +ATOM 213 O AGLN A 27 -25.355 2.320 -2.836 0.57 8.26 O +ATOM 214 O BGLN A 27 -25.186 2.308 -3.391 0.43 6.83 O +ATOM 215 N GLU A 28 -24.363 4.337 -2.854 1.00 9.56 N +ATOM 216 CA GLU A 28 -25.536 5.051 -3.402 1.00 8.86 C +ATOM 217 CB GLU A 28 -25.319 6.553 -3.370 1.00 10.52 C +ATOM 218 CG GLU A 28 -26.465 7.373 -3.933 1.00 12.28 C +ATOM 219 CD GLU A 28 -27.768 7.144 -3.214 1.00 13.68 C +ATOM 220 OE1 GLU A 28 -27.776 6.862 -2.004 1.00 16.22 O +ATOM 221 OE2 GLU A 28 -28.797 7.252 -3.867 1.00 18.20 O +ATOM 222 C GLU A 28 -25.809 4.624 -4.832 1.00 7.50 C +ATOM 223 O GLU A 28 -26.946 4.480 -5.205 1.00 6.97 O +ATOM 224 N VAL A 29 -24.760 4.395 -5.624 1.00 7.10 N +ATOM 225 CA VAL A 29 -24.926 3.933 -6.988 1.00 7.74 C +ATOM 226 CB VAL A 29 -23.744 4.252 -7.934 1.00 7.94 C +ATOM 227 CG1 VAL A 29 -24.038 3.769 -9.369 1.00 8.07 C +ATOM 228 CG2 VAL A 29 -23.492 5.764 -7.993 1.00 8.53 C +ATOM 229 C VAL A 29 -25.325 2.450 -7.044 1.00 9.26 C +ATOM 230 O VAL A 29 -26.220 2.088 -7.812 1.00 11.33 O +ATOM 231 N MET A 30 -24.680 1.592 -6.254 1.00 10.79 N +ATOM 232 CA MET A 30 -25.169 0.203 -6.050 1.00 11.74 C +ATOM 233 CB MET A 30 -24.438 -0.479 -4.894 1.00 14.27 C +ATOM 234 CG MET A 30 -22.888 -0.677 -5.047 1.00 15.81 C +ATOM 235 SD MET A 30 -22.547 -2.371 -5.486 1.00 33.08 S +ATOM 236 CE MET A 30 -22.934 -2.160 -7.175 1.00 20.74 C +ATOM 237 C MET A 30 -26.697 0.167 -5.770 1.00 14.59 C +ATOM 238 O MET A 30 -27.444 -0.660 -6.368 1.00 12.77 O +ATOM 239 N LEU A 31 -27.184 1.070 -4.905 1.00 14.76 N +ATOM 240 CA LEU A 31 -28.628 1.126 -4.598 1.00 15.82 C +ATOM 241 CB LEU A 31 -29.024 2.350 -3.820 1.00 17.44 C +ATOM 242 CG LEU A 31 -28.803 2.421 -2.335 1.00 16.70 C +ATOM 243 CD1 LEU A 31 -29.737 3.519 -1.858 1.00 17.12 C +ATOM 244 CD2 LEU A 31 -29.092 1.116 -1.618 1.00 21.43 C +ATOM 245 C LEU A 31 -29.503 1.152 -5.829 1.00 14.45 C +ATOM 246 O LEU A 31 -30.577 0.548 -5.855 1.00 13.84 O +ATOM 247 N TRP A 32 -29.057 1.872 -6.850 1.00 12.40 N +ATOM 248 CA TRP A 32 -29.824 2.011 -8.082 1.00 14.56 C +ATOM 249 CB TRP A 32 -29.601 3.405 -8.719 1.00 18.78 C +ATOM 250 CG TRP A 32 -30.488 4.439 -8.053 1.00 32.68 C +ATOM 251 CD1 TRP A 32 -30.365 4.916 -6.776 1.00 39.08 C +ATOM 252 NE1 TRP A 32 -31.374 5.801 -6.500 1.00 42.94 N +ATOM 253 CE2 TRP A 32 -32.185 5.912 -7.598 1.00 50.90 C +ATOM 254 CD2 TRP A 32 -31.666 5.052 -8.596 1.00 45.18 C +ATOM 255 CE3 TRP A 32 -32.321 4.981 -9.838 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 -33.462 5.771 -10.041 1.00 57.42 C +ATOM 257 CH2 TRP A 32 -33.951 6.621 -9.023 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 -33.333 6.703 -7.803 1.00 59.24 C +ATOM 259 C TRP A 32 -29.563 0.914 -9.078 1.00 14.53 C +ATOM 260 O TRP A 32 -30.485 0.473 -9.750 1.00 15.15 O +ATOM 261 N LEU A 33 -28.296 0.494 -9.201 1.00 14.48 N +ATOM 262 CA LEU A 33 -27.879 -0.338 -10.340 1.00 13.03 C +ATOM 263 CB LEU A 33 -26.730 0.318 -11.054 1.00 11.82 C +ATOM 264 CG LEU A 33 -26.990 1.694 -11.666 1.00 15.06 C +ATOM 265 CD1 LEU A 33 -25.711 2.167 -12.338 1.00 16.02 C +ATOM 266 CD2 LEU A 33 -28.114 1.655 -12.676 1.00 17.26 C +ATOM 267 C LEU A 33 -27.483 -1.763 -10.008 1.00 12.50 C +ATOM 268 O LEU A 33 -27.185 -2.522 -10.903 1.00 14.24 O +ATOM 269 N ALA A 34 -27.378 -2.102 -8.722 1.00 11.25 N +ATOM 270 CA ALA A 34 -26.895 -3.423 -8.345 1.00 14.07 C +ATOM 271 CB ALA A 34 -26.512 -3.490 -6.881 1.00 12.90 C +ATOM 272 C ALA A 34 -27.969 -4.469 -8.661 1.00 10.89 C +ATOM 273 O ALA A 34 -29.153 -4.155 -8.719 1.00 9.58 O +ATOM 274 N TRP A 35 -27.523 -5.695 -8.889 1.00 9.03 N +ATOM 275 CA TRP A 35 -28.402 -6.866 -8.849 1.00 10.73 C +ATOM 276 CB TRP A 35 -27.527 -8.121 -8.712 1.00 8.48 C +ATOM 277 CG TRP A 35 -28.290 -9.422 -8.958 1.00 8.22 C +ATOM 278 CD1 TRP A 35 -29.048 -10.093 -8.055 1.00 7.83 C +ATOM 279 NE1 TRP A 35 -29.526 -11.215 -8.605 1.00 7.62 N +ATOM 280 CE2 TRP A 35 -29.134 -11.278 -9.916 1.00 7.64 C +ATOM 281 CD2 TRP A 35 -28.329 -10.178 -10.158 1.00 7.37 C +ATOM 282 CE3 TRP A 35 -27.770 -10.012 -11.440 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 -28.038 -10.986 -12.428 1.00 7.84 C +ATOM 284 CH2 TRP A 35 -28.820 -12.094 -12.131 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 -29.398 -12.254 -10.896 1.00 7.63 C +ATOM 286 C TRP A 35 -29.370 -6.786 -7.670 1.00 11.27 C +ATOM 287 O TRP A 35 -28.975 -6.401 -6.579 1.00 9.35 O +ATOM 288 N PRO A 36 -30.660 -7.172 -7.813 1.00 12.00 N +ATOM 289 CA PRO A 36 -31.622 -6.974 -6.730 1.00 11.46 C +ATOM 290 CB PRO A 36 -32.859 -7.678 -7.226 1.00 11.66 C +ATOM 291 CG PRO A 36 -32.707 -7.696 -8.706 1.00 13.54 C +ATOM 292 CD PRO A 36 -31.262 -7.773 -9.010 1.00 13.31 C +ATOM 293 C PRO A 36 -31.130 -7.578 -5.443 1.00 11.59 C +ATOM 294 O PRO A 36 -30.826 -8.759 -5.385 1.00 10.46 O +ATOM 295 N PHE A 37 -31.050 -6.751 -4.404 1.00 13.56 N +ATOM 296 CA PHE A 37 -30.533 -7.193 -3.115 1.00 14.55 C +ATOM 297 CB PHE A 37 -29.421 -6.249 -2.610 1.00 13.96 C +ATOM 298 CG PHE A 37 -29.737 -4.803 -2.785 1.00 11.55 C +ATOM 299 CD2 PHE A 37 -29.331 -4.127 -3.908 1.00 12.09 C +ATOM 300 CE2 PHE A 37 -29.672 -2.788 -4.098 1.00 11.27 C +ATOM 301 CZ PHE A 37 -30.374 -2.126 -3.132 1.00 11.14 C +ATOM 302 CE1 PHE A 37 -30.777 -2.798 -1.991 1.00 11.63 C +ATOM 303 CD1 PHE A 37 -30.473 -4.128 -1.833 1.00 12.46 C +ATOM 304 C PHE A 37 -31.668 -7.288 -2.133 1.00 13.37 C +ATOM 305 O PHE A 37 -31.471 -7.613 -0.993 1.00 14.81 O +ATOM 306 N ASP A 38 -32.881 -7.041 -2.611 1.00 17.05 N +ATOM 307 CA ASP A 38 -34.105 -7.173 -1.823 1.00 19.15 C +ATOM 308 CB ASP A 38 -34.521 -5.798 -1.325 1.00 20.34 C +ATOM 309 CG ASP A 38 -35.502 -5.877 -0.192 1.00 30.28 C +ATOM 310 OD1 ASP A 38 -35.165 -6.540 0.805 1.00 44.07 O +ATOM 311 OD2 ASP A 38 -36.610 -5.312 -0.298 1.00 34.29 O +ATOM 312 C ASP A 38 -35.190 -7.717 -2.747 1.00 15.90 C +ATOM 313 O ASP A 38 -35.229 -7.330 -3.916 1.00 16.79 O +ATOM 314 N PRO A 39 -36.134 -8.566 -2.261 1.00 20.32 N +ATOM 315 CA PRO A 39 -37.220 -9.073 -3.115 1.00 16.16 C +ATOM 316 CB PRO A 39 -38.126 -9.843 -2.149 1.00 15.98 C +ATOM 317 CG PRO A 39 -37.316 -10.062 -0.921 1.00 18.68 C +ATOM 318 CD PRO A 39 -36.207 -9.068 -0.873 1.00 17.52 C +ATOM 319 C PRO A 39 -38.044 -7.988 -3.774 1.00 16.16 C +ATOM 320 O PRO A 39 -38.499 -8.160 -4.903 1.00 21.77 O +ATOM 321 N THR A 40 -38.227 -6.862 -3.084 1.00 11.59 N +ATOM 322 CA THR A 40 -38.961 -5.770 -3.649 1.00 10.55 C +ATOM 323 CB THR A 40 -39.182 -4.681 -2.612 1.00 11.60 C +ATOM 324 OG1 THR A 40 -37.916 -4.212 -2.177 1.00 18.55 O +ATOM 325 CG2 THR A 40 -39.913 -5.200 -1.396 1.00 10.47 C +ATOM 326 C THR A 40 -38.307 -5.161 -4.913 1.00 12.17 C +ATOM 327 O THR A 40 -38.940 -4.355 -5.589 1.00 13.12 O +ATOM 328 N LEU A 41 -37.050 -5.525 -5.218 1.00 10.51 N +ATOM 329 CA LEU A 41 -36.331 -4.967 -6.367 1.00 11.95 C +ATOM 330 CB LEU A 41 -34.887 -4.568 -5.984 1.00 14.91 C +ATOM 331 CG LEU A 41 -34.749 -3.686 -4.690 1.00 17.34 C +ATOM 332 CD1 LEU A 41 -33.319 -3.312 -4.341 1.00 16.53 C +ATOM 333 CD2 LEU A 41 -35.579 -2.415 -4.783 1.00 15.46 C +ATOM 334 C LEU A 41 -36.330 -5.924 -7.558 1.00 12.84 C +ATOM 335 O LEU A 41 -35.772 -5.620 -8.617 1.00 11.38 O +ATOM 336 N LYS A 42 -36.970 -7.086 -7.372 1.00 12.67 N +ATOM 337 CA LYS A 42 -36.919 -8.166 -8.323 1.00 13.81 C +ATOM 338 CB LYS A 42 -37.632 -9.391 -7.748 1.00 16.24 C +ATOM 339 CG LYS A 42 -39.153 -9.260 -7.618 1.00 22.83 C +ATOM 340 CD LYS A 42 -39.754 -10.297 -6.648 1.00 21.04 C +ATOM 341 CE LYS A 42 -41.016 -9.785 -5.959 1.00 23.94 C +ATOM 342 NZ LYS A 42 -41.210 -10.441 -4.621 1.00 32.66 N +ATOM 343 C LYS A 42 -37.494 -7.740 -9.676 1.00 15.51 C +ATOM 344 O LYS A 42 -37.037 -8.228 -10.720 1.00 11.66 O +ATOM 345 N PHE A 43 -38.450 -6.795 -9.666 1.00 17.22 N +ATOM 346 CA PHE A 43 -39.059 -6.320 -10.917 1.00 20.93 C +ATOM 347 CB PHE A 43 -40.504 -5.935 -10.651 1.00 22.33 C +ATOM 348 CG PHE A 43 -41.324 -7.042 -10.025 1.00 20.58 C +ATOM 349 CD1 PHE A 43 -41.631 -8.188 -10.751 1.00 20.68 C +ATOM 350 CE1 PHE A 43 -42.398 -9.206 -10.203 1.00 24.15 C +ATOM 351 CZ PHE A 43 -42.872 -9.088 -8.902 1.00 26.39 C +ATOM 352 CE2 PHE A 43 -42.584 -7.939 -8.163 1.00 32.87 C +ATOM 353 CD2 PHE A 43 -41.801 -6.928 -8.723 1.00 28.63 C +ATOM 354 C PHE A 43 -38.305 -5.215 -11.694 1.00 27.18 C +ATOM 355 O PHE A 43 -38.629 -4.937 -12.862 1.00 25.90 O +ATOM 356 N GLU A 44 -37.260 -4.656 -11.067 1.00 22.49 N +ATOM 357 CA GLU A 44 -36.445 -3.586 -11.638 1.00 15.89 C +ATOM 358 CB GLU A 44 -35.821 -2.774 -10.503 1.00 15.72 C +ATOM 359 CG GLU A 44 -36.891 -2.035 -9.714 1.00 15.25 C +ATOM 360 CD GLU A 44 -36.398 -1.189 -8.536 1.00 21.01 C +ATOM 361 OE1 GLU A 44 -35.187 -1.043 -8.266 1.00 16.50 O +ATOM 362 OE2 GLU A 44 -37.266 -0.655 -7.815 1.00 23.93 O +ATOM 363 C GLU A 44 -35.432 -4.222 -12.598 1.00 16.81 C +ATOM 364 O GLU A 44 -34.252 -4.460 -12.245 1.00 11.81 O +ATOM 365 N APHE A 45 -35.914 -4.427 -13.837 0.46 16.82 N +ATOM 366 N BPHE A 45 -35.875 -4.486 -13.826 0.54 13.38 N +ATOM 367 CA APHE A 45 -35.322 -5.282 -14.882 0.46 19.36 C +ATOM 368 CA BPHE A 45 -35.188 -5.415 -14.715 0.54 13.71 C +ATOM 369 CB APHE A 45 -36.190 -5.301 -16.195 0.46 23.18 C +ATOM 370 CB BPHE A 45 -36.085 -5.783 -15.908 0.54 12.75 C +ATOM 371 CG APHE A 45 -36.379 -3.936 -16.868 0.46 30.12 C +ATOM 372 CG BPHE A 45 -37.348 -6.483 -15.515 0.54 11.96 C +ATOM 373 CD1APHE A 45 -37.394 -3.069 -16.465 0.46 31.35 C +ATOM 374 CD1BPHE A 45 -38.586 -5.853 -15.663 0.54 13.23 C +ATOM 375 CE1APHE A 45 -37.566 -1.836 -17.080 0.46 34.10 C +ATOM 376 CE1BPHE A 45 -39.770 -6.520 -15.350 0.54 15.19 C +ATOM 377 CZ APHE A 45 -36.734 -1.455 -18.112 0.46 29.11 C +ATOM 378 CZ BPHE A 45 -39.715 -7.819 -14.845 0.54 14.16 C +ATOM 379 CE2APHE A 45 -35.727 -2.302 -18.531 0.46 29.48 C +ATOM 380 CE2BPHE A 45 -38.483 -8.445 -14.671 0.54 11.23 C +ATOM 381 CD2APHE A 45 -35.556 -3.536 -17.925 0.46 33.40 C +ATOM 382 CD2BPHE A 45 -37.307 -7.773 -15.006 0.54 11.18 C +ATOM 383 C APHE A 45 -33.876 -4.977 -15.213 0.46 15.69 C +ATOM 384 C BPHE A 45 -33.819 -4.995 -15.209 0.54 12.87 C +ATOM 385 O APHE A 45 -33.084 -5.884 -15.487 0.46 15.15 O +ATOM 386 O BPHE A 45 -33.015 -5.852 -15.614 0.54 12.81 O +ATOM 387 N TRP A 46 -33.549 -3.683 -15.204 1.00 15.30 N +ATOM 388 CA TRP A 46 -32.217 -3.190 -15.547 1.00 12.11 C +ATOM 389 CB TRP A 46 -32.194 -1.669 -15.502 1.00 11.86 C +ATOM 390 CG TRP A 46 -32.362 -1.069 -14.144 1.00 11.95 C +ATOM 391 CD1 TRP A 46 -31.374 -0.814 -13.255 1.00 14.46 C +ATOM 392 NE1 TRP A 46 -31.897 -0.254 -12.112 1.00 13.21 N +ATOM 393 CE2 TRP A 46 -33.243 -0.087 -12.279 1.00 12.73 C +ATOM 394 CD2 TRP A 46 -33.570 -0.579 -13.549 1.00 14.22 C +ATOM 395 CE3 TRP A 46 -34.912 -0.509 -13.973 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 -35.861 0.013 -13.098 1.00 16.83 C +ATOM 397 CH2 TRP A 46 -35.490 0.499 -11.837 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 -34.195 0.465 -11.412 1.00 16.01 C +ATOM 399 C TRP A 46 -31.124 -3.789 -14.638 1.00 11.22 C +ATOM 400 O TRP A 46 -30.033 -4.018 -15.084 1.00 12.05 O +ATOM 401 N ARG A 47 -31.440 -4.004 -13.354 1.00 12.46 N +ATOM 402 CA ARG A 47 -30.480 -4.528 -12.369 1.00 12.68 C +ATOM 403 CB ARG A 47 -31.182 -4.780 -11.048 1.00 11.77 C +ATOM 404 CG ARG A 47 -31.676 -3.490 -10.454 1.00 11.77 C +ATOM 405 CD ARG A 47 -32.360 -3.733 -9.154 1.00 12.31 C +ATOM 406 NE ARG A 47 -32.809 -2.504 -8.533 1.00 14.80 N +ATOM 407 CZ ARG A 47 -32.071 -1.714 -7.743 1.00 17.44 C +ATOM 408 NH1 ARG A 47 -30.820 -2.022 -7.416 1.00 16.23 N +ATOM 409 NH2 ARG A 47 -32.609 -0.626 -7.214 1.00 14.30 N +ATOM 410 C ARG A 47 -29.756 -5.817 -12.800 1.00 12.29 C +ATOM 411 O ARG A 47 -28.646 -6.089 -12.344 1.00 9.14 O +ATOM 412 N TYR A 48 -30.390 -6.616 -13.670 1.00 10.04 N +ATOM 413 CA TYR A 48 -29.836 -7.913 -14.030 1.00 10.43 C +ATOM 414 CB TYR A 48 -30.956 -8.855 -14.593 1.00 10.84 C +ATOM 415 CG TYR A 48 -32.047 -9.140 -13.575 1.00 7.71 C +ATOM 416 CD1 TYR A 48 -31.804 -9.980 -12.496 1.00 7.71 C +ATOM 417 CE1 TYR A 48 -32.766 -10.258 -11.552 1.00 6.25 C +ATOM 418 CZ TYR A 48 -34.005 -9.695 -11.669 1.00 6.42 C +ATOM 419 OH TYR A 48 -34.975 -9.997 -10.710 1.00 6.77 O +ATOM 420 CE2 TYR A 48 -34.293 -8.876 -12.734 1.00 6.94 C +ATOM 421 CD2 TYR A 48 -33.321 -8.598 -13.684 1.00 8.10 C +ATOM 422 C TYR A 48 -28.691 -7.717 -14.992 1.00 10.47 C +ATOM 423 O TYR A 48 -27.901 -8.640 -15.232 1.00 9.93 O +ATOM 424 N PHE A 49 -28.573 -6.483 -15.488 1.00 10.22 N +ATOM 425 CA PHE A 49 -27.524 -6.049 -16.423 1.00 13.54 C +ATOM 426 CB PHE A 49 -28.178 -5.616 -17.755 1.00 13.65 C +ATOM 427 CG PHE A 49 -29.111 -6.682 -18.312 1.00 10.24 C +ATOM 428 CD1 PHE A 49 -28.628 -7.683 -19.138 1.00 11.08 C +ATOM 429 CE1 PHE A 49 -29.450 -8.688 -19.610 1.00 9.94 C +ATOM 430 CZ PHE A 49 -30.776 -8.674 -19.244 1.00 10.35 C +ATOM 431 CE2 PHE A 49 -31.250 -7.696 -18.395 1.00 10.99 C +ATOM 432 CD2 PHE A 49 -30.414 -6.714 -17.941 1.00 9.51 C +ATOM 433 C PHE A 49 -26.597 -4.925 -15.908 1.00 11.86 C +ATOM 434 O PHE A 49 -25.395 -4.945 -16.157 1.00 11.51 O +ATOM 435 N THR A 50 -27.155 -3.971 -15.173 1.00 12.55 N +ATOM 436 CA THR A 50 -26.431 -2.760 -14.885 1.00 14.45 C +ATOM 437 CB THR A 50 -27.359 -1.635 -14.493 1.00 15.19 C +ATOM 438 OG1 THR A 50 -28.152 -2.067 -13.397 1.00 14.97 O +ATOM 439 CG2 THR A 50 -28.220 -1.164 -15.716 1.00 15.23 C +ATOM 440 C THR A 50 -25.340 -2.895 -13.784 1.00 14.00 C +ATOM 441 O THR A 50 -24.518 -2.002 -13.649 1.00 13.59 O +ATOM 442 N HIS A 51 -25.306 -4.033 -13.066 1.00 12.10 N +ATOM 443 CA HIS A 51 -24.162 -4.416 -12.246 1.00 11.62 C +ATOM 444 CB HIS A 51 -24.374 -5.800 -11.622 1.00 13.56 C +ATOM 445 CG HIS A 51 -24.528 -6.895 -12.640 1.00 12.87 C +ATOM 446 ND1 HIS A 51 -23.447 -7.477 -13.269 1.00 8.49 N +ATOM 447 CE1 HIS A 51 -23.892 -8.361 -14.152 1.00 12.06 C +ATOM 448 NE2 HIS A 51 -25.222 -8.359 -14.129 1.00 12.69 N +ATOM 449 CD2 HIS A 51 -25.642 -7.433 -13.206 1.00 9.97 C +ATOM 450 C HIS A 51 -22.818 -4.350 -13.069 1.00 12.16 C +ATOM 451 O HIS A 51 -21.731 -3.974 -12.547 1.00 11.44 O +ATOM 452 N ALA A 52 -22.901 -4.624 -14.369 1.00 10.69 N +ATOM 453 CA ALA A 52 -21.727 -4.586 -15.238 1.00 11.23 C +ATOM 454 CB ALA A 52 -21.996 -5.315 -16.543 1.00 13.23 C +ATOM 455 C ALA A 52 -21.104 -3.200 -15.532 1.00 9.35 C +ATOM 456 O ALA A 52 -19.929 -3.130 -15.941 1.00 9.41 O +ATOM 457 N LEU A 53 -21.850 -2.142 -15.229 1.00 9.87 N +ATOM 458 CA LEU A 53 -21.487 -0.729 -15.522 1.00 12.33 C +ATOM 459 CB LEU A 53 -22.731 0.087 -15.857 1.00 11.52 C +ATOM 460 CG LEU A 53 -23.500 -0.408 -17.099 1.00 16.11 C +ATOM 461 CD1 LEU A 53 -24.669 0.516 -17.369 1.00 15.54 C +ATOM 462 CD2 LEU A 53 -22.622 -0.476 -18.352 1.00 16.40 C +ATOM 463 C LEU A 53 -20.765 -0.011 -14.391 1.00 13.74 C +ATOM 464 O LEU A 53 -20.313 1.101 -14.578 1.00 16.46 O +ATOM 465 N MET A 54 -20.675 -0.662 -13.215 1.00 14.40 N +ATOM 466 CA MET A 54 -20.087 -0.074 -12.011 1.00 10.98 C +ATOM 467 CB MET A 54 -20.922 -0.496 -10.821 1.00 10.55 C +ATOM 468 CG MET A 54 -22.201 0.266 -10.716 1.00 13.54 C +ATOM 469 SD MET A 54 -23.150 -0.107 -9.242 1.00 10.40 S +ATOM 470 CE MET A 54 -23.709 -1.750 -9.760 1.00 9.03 C +ATOM 471 C MET A 54 -18.659 -0.617 -11.815 1.00 12.18 C +ATOM 472 O MET A 54 -18.407 -1.816 -11.942 1.00 12.58 O +ATOM 473 N HIS A 55 -17.718 0.282 -11.519 1.00 12.28 N +ATOM 474 CA HIS A 55 -16.402 -0.098 -11.122 1.00 11.39 C +ATOM 475 CB HIS A 55 -15.402 0.226 -12.223 1.00 11.48 C +ATOM 476 CG HIS A 55 -15.670 -0.507 -13.484 1.00 12.61 C +ATOM 477 ND1 HIS A 55 -16.510 -0.014 -14.469 1.00 13.59 N +ATOM 478 CE1 HIS A 55 -16.572 -0.882 -15.456 1.00 14.30 C +ATOM 479 NE2 HIS A 55 -15.830 -1.932 -15.142 1.00 12.53 N +ATOM 480 CD2 HIS A 55 -15.255 -1.721 -13.909 1.00 14.17 C +ATOM 481 C HIS A 55 -15.991 0.523 -9.799 1.00 11.45 C +ATOM 482 O HIS A 55 -16.334 1.625 -9.509 1.00 13.10 O +ATOM 483 N PHE A 56 -15.197 -0.218 -9.023 1.00 10.11 N +ATOM 484 CA PHE A 56 -14.780 0.198 -7.677 1.00 9.89 C +ATOM 485 CB PHE A 56 -14.931 -0.981 -6.719 1.00 10.76 C +ATOM 486 CG PHE A 56 -16.299 -1.576 -6.764 1.00 13.55 C +ATOM 487 CD1 PHE A 56 -17.412 -0.792 -6.398 1.00 14.41 C +ATOM 488 CE1 PHE A 56 -18.707 -1.311 -6.464 1.00 21.55 C +ATOM 489 CZ PHE A 56 -18.903 -2.619 -6.890 1.00 23.29 C +ATOM 490 CE2 PHE A 56 -17.801 -3.420 -7.207 1.00 17.99 C +ATOM 491 CD2 PHE A 56 -16.503 -2.885 -7.163 1.00 17.37 C +ATOM 492 C PHE A 56 -13.409 0.743 -7.588 1.00 8.06 C +ATOM 493 O PHE A 56 -13.048 1.278 -6.579 1.00 11.21 O +ATOM 494 N SER A 57 -12.641 0.621 -8.662 1.00 9.25 N +ATOM 495 CA SER A 57 -11.309 1.121 -8.719 1.00 12.25 C +ATOM 496 CB SER A 57 -10.305 0.055 -8.232 1.00 12.81 C +ATOM 497 OG SER A 57 -9.992 -0.856 -9.277 1.00 15.25 O +ATOM 498 C SER A 57 -10.962 1.579 -10.154 1.00 12.91 C +ATOM 499 O SER A 57 -11.436 1.029 -11.143 1.00 14.35 O +ATOM 500 N LEU A 58 -10.100 2.595 -10.204 1.00 10.97 N +ATOM 501 CA LEU A 58 -9.541 3.187 -11.377 1.00 11.43 C +ATOM 502 CB LEU A 58 -8.574 4.278 -10.889 1.00 12.33 C +ATOM 503 CG LEU A 58 -7.769 4.961 -11.956 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -8.753 5.460 -13.008 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.951 6.100 -11.335 1.00 14.25 C +ATOM 506 C LEU A 58 -8.781 2.172 -12.222 1.00 13.71 C +ATOM 507 O LEU A 58 -8.892 2.121 -13.455 1.00 11.94 O +ATOM 508 N MET A 59 -7.984 1.350 -11.543 1.00 16.33 N +ATOM 509 CA MET A 59 -7.172 0.347 -12.222 1.00 18.57 C +ATOM 510 CB MET A 59 -6.221 -0.276 -11.190 1.00 23.05 C +ATOM 511 CG AMET A 59 -5.848 -1.721 -11.393 0.48 26.57 C +ATOM 512 CG BMET A 59 -6.124 -1.803 -11.148 0.52 26.84 C +ATOM 513 SD AMET A 59 -4.090 -1.947 -11.054 0.48 22.79 S +ATOM 514 SD BMET A 59 -5.190 -2.652 -12.431 0.52 29.36 S +ATOM 515 CE AMET A 59 -4.065 -3.702 -11.403 0.48 24.88 C +ATOM 516 CE BMET A 59 -3.736 -1.611 -12.374 0.52 22.56 C +ATOM 517 C MET A 59 -8.093 -0.619 -13.013 1.00 17.18 C +ATOM 518 O MET A 59 -7.845 -0.858 -14.194 1.00 14.21 O +ATOM 519 N HIS A 60 -9.204 -1.053 -12.393 1.00 14.12 N +ATOM 520 CA HIS A 60 -10.122 -2.008 -12.999 1.00 16.07 C +ATOM 521 CB HIS A 60 -10.946 -2.676 -11.918 1.00 22.58 C +ATOM 522 CG HIS A 60 -10.148 -3.649 -11.108 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -10.694 -4.455 -10.131 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -9.740 -5.208 -9.611 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -8.598 -4.927 -10.219 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -8.834 -3.967 -11.166 1.00 50.39 C +ATOM 527 C HIS A 60 -10.984 -1.437 -14.136 1.00 12.01 C +ATOM 528 O HIS A 60 -11.158 -2.109 -15.168 1.00 10.26 O +ATOM 529 N ILE A 61 -11.462 -0.195 -13.989 1.00 8.67 N +ATOM 530 CA ILE A 61 -12.155 0.432 -15.084 1.00 8.62 C +ATOM 531 CB ILE A 61 -12.923 1.696 -14.707 1.00 7.58 C +ATOM 532 CG1 ILE A 61 -13.876 2.075 -15.865 1.00 8.87 C +ATOM 533 CD1 ILE A 61 -14.766 3.269 -15.582 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -12.014 2.843 -14.359 1.00 8.93 C +ATOM 535 C ILE A 61 -11.245 0.557 -16.296 1.00 8.60 C +ATOM 536 O ILE A 61 -11.641 0.262 -17.414 1.00 8.64 O +ATOM 537 N LEU A 62 -9.995 0.926 -16.073 1.00 12.67 N +ATOM 538 CA LEU A 62 -9.051 1.149 -17.166 1.00 13.90 C +ATOM 539 CB LEU A 62 -7.790 1.855 -16.686 1.00 18.30 C +ATOM 540 CG LEU A 62 -7.969 3.362 -16.395 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.817 3.910 -15.541 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -8.082 4.161 -17.687 1.00 22.18 C +ATOM 543 C LEU A 62 -8.719 -0.131 -17.884 1.00 10.78 C +ATOM 544 O LEU A 62 -8.805 -0.193 -19.091 1.00 8.81 O +ATOM 545 N PHE A 63 -8.380 -1.181 -17.139 1.00 12.10 N +ATOM 546 CA PHE A 63 -8.090 -2.474 -17.781 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.407 -3.464 -16.831 1.00 13.80 C +ATOM 548 CG PHE A 63 -5.941 -3.183 -16.702 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -5.089 -3.427 -17.791 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -3.742 -3.109 -17.738 1.00 29.98 C +ATOM 551 CZ PHE A 63 -3.233 -2.517 -16.607 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -4.056 -2.247 -15.537 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -5.416 -2.561 -15.584 1.00 23.06 C +ATOM 554 C PHE A 63 -9.326 -3.070 -18.457 1.00 9.46 C +ATOM 555 O PHE A 63 -9.207 -3.538 -19.579 1.00 9.63 O +ATOM 556 N ASN A 64 -10.478 -3.067 -17.768 1.00 8.67 N +ATOM 557 CA ASN A 64 -11.744 -3.618 -18.289 1.00 9.14 C +ATOM 558 CB ASN A 64 -12.938 -3.517 -17.280 1.00 11.48 C +ATOM 559 CG ASN A 64 -12.813 -4.452 -16.067 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -13.567 -4.410 -15.003 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -11.837 -5.310 -16.206 1.00 12.68 N +ATOM 562 C ASN A 64 -12.049 -2.879 -19.624 1.00 8.26 C +ATOM 563 O ASN A 64 -12.353 -3.484 -20.639 1.00 10.86 O +ATOM 564 N LEU A 65 -11.917 -1.556 -19.640 1.00 8.25 N +ATOM 565 CA LEU A 65 -12.282 -0.817 -20.829 1.00 7.48 C +ATOM 566 CB LEU A 65 -12.625 0.628 -20.544 1.00 6.64 C +ATOM 567 CG LEU A 65 -13.934 0.924 -19.821 1.00 6.96 C +ATOM 568 CD1 LEU A 65 -14.229 2.403 -19.750 1.00 6.37 C +ATOM 569 CD2 LEU A 65 -15.155 0.302 -20.431 1.00 8.07 C +ATOM 570 C LEU A 65 -11.296 -0.983 -21.943 1.00 8.20 C +ATOM 571 O LEU A 65 -11.686 -0.865 -23.107 1.00 10.57 O +ATOM 572 N LEU A 66 -10.026 -1.232 -21.602 1.00 9.34 N +ATOM 573 CA LEU A 66 -8.977 -1.434 -22.585 1.00 11.79 C +ATOM 574 CB LEU A 66 -7.609 -1.583 -21.880 1.00 16.80 C +ATOM 575 CG LEU A 66 -6.435 -1.833 -22.858 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.179 -0.616 -23.757 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -5.157 -2.306 -22.137 1.00 27.68 C +ATOM 578 C LEU A 66 -9.290 -2.701 -23.381 1.00 10.64 C +ATOM 579 O LEU A 66 -9.285 -2.701 -24.625 1.00 15.70 O +ATOM 580 N TRP A 67 -9.545 -3.780 -22.643 1.00 9.19 N +ATOM 581 CA TRP A 67 -9.915 -5.080 -23.183 1.00 11.28 C +ATOM 582 CB TRP A 67 -10.045 -6.109 -22.048 1.00 13.34 C +ATOM 583 CG TRP A 67 -8.747 -6.690 -21.568 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -8.240 -6.639 -20.291 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -7.073 -7.335 -20.214 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -6.774 -7.848 -21.450 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.831 -7.479 -22.330 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.813 -7.926 -23.655 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -6.754 -8.686 -24.077 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -5.689 -9.045 -23.164 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -5.697 -8.639 -21.855 1.00 14.32 C +ATOM 592 C TRP A 67 -11.229 -5.057 -23.949 1.00 8.88 C +ATOM 593 O TRP A 67 -11.307 -5.624 -25.015 1.00 8.19 O +ATOM 594 N TRP A 68 -12.261 -4.429 -23.359 1.00 10.01 N +ATOM 595 CA TRP A 68 -13.549 -4.179 -24.023 1.00 10.75 C +ATOM 596 CB TRP A 68 -14.515 -3.403 -23.106 1.00 12.22 C +ATOM 597 CG TRP A 68 -15.684 -2.815 -23.867 1.00 10.28 C +ATOM 598 CD1 TRP A 68 -15.769 -1.553 -24.400 1.00 10.20 C +ATOM 599 NE1 TRP A 68 -16.953 -1.392 -25.037 1.00 12.09 N +ATOM 600 CE2 TRP A 68 -17.667 -2.549 -24.959 1.00 10.02 C +ATOM 601 CD2 TRP A 68 -16.889 -3.469 -24.198 1.00 9.02 C +ATOM 602 CE3 TRP A 68 -17.394 -4.747 -23.945 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 -18.693 -5.072 -24.436 1.00 10.67 C +ATOM 604 CH2 TRP A 68 -19.459 -4.109 -25.176 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 -18.951 -2.860 -25.466 1.00 10.72 C +ATOM 606 C TRP A 68 -13.338 -3.419 -25.345 1.00 12.58 C +ATOM 607 O TRP A 68 -13.855 -3.832 -26.396 1.00 12.72 O +ATOM 608 N TRP A 69 -12.540 -2.345 -25.308 1.00 9.65 N +ATOM 609 CA TRP A 69 -12.296 -1.574 -26.504 1.00 11.78 C +ATOM 610 CB TRP A 69 -11.443 -0.326 -26.171 1.00 14.65 C +ATOM 611 CG TRP A 69 -11.064 0.617 -27.339 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -11.883 1.088 -28.317 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -11.196 1.910 -29.172 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -9.903 1.986 -28.760 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -9.784 1.184 -27.597 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -8.548 1.138 -26.932 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -7.469 1.884 -27.459 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -7.629 2.661 -28.628 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -8.835 2.727 -29.282 1.00 36.39 C +ATOM 620 C TRP A 69 -11.630 -2.439 -27.601 1.00 10.65 C +ATOM 621 O TRP A 69 -12.004 -2.373 -28.772 1.00 7.41 O +ATOM 622 N TYR A 70 -10.626 -3.223 -27.206 1.00 9.26 N +ATOM 623 CA TYR A 70 -9.925 -4.081 -28.158 1.00 10.38 C +ATOM 624 CB TYR A 70 -8.599 -4.590 -27.568 1.00 11.80 C +ATOM 625 CG TYR A 70 -7.693 -5.251 -28.578 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.996 -4.507 -29.526 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -6.176 -5.126 -30.475 1.00 19.00 C +ATOM 628 CZ TYR A 70 -6.078 -6.512 -30.487 1.00 21.71 C +ATOM 629 OH TYR A 70 -5.267 -7.185 -31.386 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -6.779 -7.261 -29.567 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -7.573 -6.628 -28.617 1.00 19.10 C +ATOM 632 C TYR A 70 -10.751 -5.271 -28.672 1.00 8.62 C +ATOM 633 O TYR A 70 -10.856 -5.491 -29.872 1.00 8.15 O +ATOM 634 N LEU A 71 -11.307 -6.068 -27.763 1.00 8.22 N +ATOM 635 CA LEU A 71 -11.956 -7.291 -28.167 1.00 8.75 C +ATOM 636 CB LEU A 71 -11.989 -8.301 -27.042 1.00 10.19 C +ATOM 637 CG LEU A 71 -10.671 -8.786 -26.460 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -10.965 -9.735 -25.348 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -9.855 -9.528 -27.499 1.00 13.03 C +ATOM 640 C LEU A 71 -13.369 -6.981 -28.600 1.00 9.72 C +ATOM 641 O LEU A 71 -13.791 -7.390 -29.687 1.00 10.90 O +ATOM 642 N GLY A 72 -14.084 -6.233 -27.749 1.00 10.28 N +ATOM 643 CA GLY A 72 -15.360 -5.618 -28.107 1.00 10.65 C +ATOM 644 C GLY A 72 -15.302 -5.014 -29.487 1.00 9.77 C +ATOM 645 O GLY A 72 -16.078 -5.357 -30.316 1.00 10.46 O +ATOM 646 N GLY A 73 -14.343 -4.124 -29.734 1.00 10.80 N +ATOM 647 CA GLY A 73 -14.260 -3.396 -30.997 1.00 9.84 C +ATOM 648 C GLY A 73 -13.985 -4.294 -32.205 1.00 9.93 C +ATOM 649 O GLY A 73 -14.514 -4.093 -33.311 1.00 9.02 O +ATOM 650 N ALA A 74 -13.152 -5.312 -31.995 1.00 10.45 N +ATOM 651 CA ALA A 74 -12.895 -6.308 -33.031 1.00 10.89 C +ATOM 652 CB ALA A 74 -11.826 -7.294 -32.554 1.00 10.75 C +ATOM 653 C ALA A 74 -14.217 -7.043 -33.378 1.00 8.90 C +ATOM 654 O ALA A 74 -14.622 -7.108 -34.518 1.00 9.49 O +ATOM 655 N VAL A 75 -14.905 -7.548 -32.359 1.00 8.02 N +ATOM 656 CA VAL A 75 -16.136 -8.257 -32.596 1.00 9.54 C +ATOM 657 CB VAL A 75 -16.763 -8.780 -31.302 1.00 8.90 C +ATOM 658 CG1 VAL A 75 -18.160 -9.337 -31.566 1.00 10.78 C +ATOM 659 CG2 VAL A 75 -15.877 -9.861 -30.724 1.00 8.31 C +ATOM 660 C VAL A 75 -17.126 -7.429 -33.411 1.00 8.80 C +ATOM 661 O VAL A 75 -17.639 -7.900 -34.389 1.00 10.62 O +ATOM 662 N GLU A 76 -17.402 -6.206 -32.983 1.00 9.32 N +ATOM 663 CA GLU A 76 -18.325 -5.313 -33.689 1.00 11.38 C +ATOM 664 CB GLU A 76 -18.458 -3.959 -32.979 1.00 13.00 C +ATOM 665 CG GLU A 76 -19.459 -2.960 -33.569 1.00 11.01 C +ATOM 666 CD GLU A 76 -19.930 -1.972 -32.515 1.00 12.62 C +ATOM 667 OE1 GLU A 76 -19.183 -1.652 -31.548 1.00 12.49 O +ATOM 668 OE2 GLU A 76 -21.075 -1.503 -32.634 1.00 16.29 O +ATOM 669 C GLU A 76 -17.901 -5.085 -35.109 1.00 13.17 C +ATOM 670 O GLU A 76 -18.731 -5.165 -36.019 1.00 14.71 O +ATOM 671 N LYS A 77 -16.614 -4.801 -35.315 1.00 13.53 N +ATOM 672 CA LYS A 77 -16.122 -4.518 -36.648 1.00 16.95 C +ATOM 673 CB LYS A 77 -14.657 -4.040 -36.619 1.00 24.89 C +ATOM 674 CG LYS A 77 -14.161 -3.299 -37.866 1.00 29.96 C +ATOM 675 CD LYS A 77 -14.941 -2.005 -38.217 1.00 48.81 C +ATOM 676 CE LYS A 77 -15.143 -0.991 -37.062 1.00 51.17 C +ATOM 677 NZ LYS A 77 -16.530 -0.918 -36.453 1.00 41.66 N +ATOM 678 C LYS A 77 -16.262 -5.727 -37.572 1.00 13.69 C +ATOM 679 O LYS A 77 -16.677 -5.582 -38.695 1.00 11.09 O +ATOM 680 N ARG A 78 -15.902 -6.922 -37.107 1.00 13.15 N +ATOM 681 CA ARG A 78 -15.846 -8.048 -38.034 1.00 17.21 C +ATOM 682 CB ARG A 78 -14.682 -8.998 -37.745 1.00 26.03 C +ATOM 683 CG ARG A 78 -13.397 -8.360 -37.220 1.00 42.52 C +ATOM 684 CD ARG A 78 -12.379 -7.830 -38.235 1.00 53.37 C +ATOM 685 NE ARG A 78 -11.577 -6.732 -37.625 1.00 85.31 N +ATOM 686 CZ ARG A 78 -10.644 -6.856 -36.659 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -10.316 -8.045 -36.148 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -10.027 -5.770 -36.185 1.00 57.06 N +ATOM 689 C ARG A 78 -17.168 -8.817 -38.138 1.00 12.62 C +ATOM 690 O ARG A 78 -17.476 -9.334 -39.200 1.00 12.21 O +ATOM 691 N LEU A 79 -17.925 -8.884 -37.034 1.00 10.41 N +ATOM 692 CA LEU A 79 -19.150 -9.689 -36.895 1.00 8.22 C +ATOM 693 CB LEU A 79 -19.032 -10.642 -35.681 1.00 8.17 C +ATOM 694 CG LEU A 79 -17.737 -11.450 -35.652 1.00 8.98 C +ATOM 695 CD1 LEU A 79 -17.606 -12.471 -34.513 1.00 8.36 C +ATOM 696 CD2 LEU A 79 -17.616 -12.166 -36.995 1.00 9.32 C +ATOM 697 C LEU A 79 -20.417 -8.847 -36.746 1.00 6.91 C +ATOM 698 O LEU A 79 -21.527 -9.358 -36.876 1.00 8.56 O +ATOM 699 N GLY A 80 -20.272 -7.557 -36.453 1.00 5.95 N +ATOM 700 CA GLY A 80 -21.408 -6.681 -36.293 1.00 5.85 C +ATOM 701 C GLY A 80 -21.738 -6.281 -34.849 1.00 6.74 C +ATOM 702 O GLY A 80 -21.452 -6.996 -33.891 1.00 6.31 O +ATOM 703 N SER A 81 -22.427 -5.142 -34.751 1.00 6.52 N +ATOM 704 CA SER A 81 -23.011 -4.613 -33.568 1.00 7.29 C +ATOM 705 CB SER A 81 -23.800 -3.357 -33.946 1.00 6.49 C +ATOM 706 OG SER A 81 -22.894 -2.315 -34.225 1.00 7.34 O +ATOM 707 C SER A 81 -23.900 -5.582 -32.808 1.00 7.07 C +ATOM 708 O SER A 81 -23.785 -5.703 -31.543 1.00 7.73 O +ATOM 709 N GLY A 82 -24.761 -6.284 -33.547 1.00 6.35 N +ATOM 710 CA GLY A 82 -25.686 -7.239 -32.962 1.00 6.26 C +ATOM 711 C GLY A 82 -25.010 -8.351 -32.158 1.00 6.75 C +ATOM 712 O GLY A 82 -25.465 -8.743 -31.075 1.00 7.96 O +ATOM 713 N LYS A 83 -23.926 -8.884 -32.716 1.00 6.78 N +ATOM 714 CA LYS A 83 -23.197 -9.951 -32.130 1.00 7.45 C +ATOM 715 CB LYS A 83 -22.079 -10.352 -33.092 1.00 10.15 C +ATOM 716 CG LYS A 83 -21.203 -11.485 -32.552 1.00 13.46 C +ATOM 717 CD LYS A 83 -21.959 -12.777 -32.354 1.00 15.35 C +ATOM 718 CE LYS A 83 -22.229 -13.440 -33.701 1.00 13.83 C +ATOM 719 NZ LYS A 83 -22.853 -14.738 -33.391 1.00 17.70 N +ATOM 720 C LYS A 83 -22.612 -9.460 -30.791 1.00 7.49 C +ATOM 721 O LYS A 83 -22.686 -10.144 -29.784 1.00 6.49 O +ATOM 722 N LEU A 84 -22.055 -8.243 -30.786 1.00 7.56 N +ATOM 723 CA LEU A 84 -21.476 -7.676 -29.567 1.00 8.80 C +ATOM 724 CB LEU A 84 -20.776 -6.345 -29.822 1.00 8.75 C +ATOM 725 CG LEU A 84 -20.035 -5.752 -28.602 1.00 9.25 C +ATOM 726 CD1 LEU A 84 -19.131 -6.767 -27.942 1.00 11.42 C +ATOM 727 CD2 LEU A 84 -19.228 -4.516 -28.998 1.00 8.81 C +ATOM 728 C LEU A 84 -22.558 -7.475 -28.527 1.00 9.07 C +ATOM 729 O LEU A 84 -22.344 -7.783 -27.372 1.00 7.30 O +ATOM 730 N ILE A 85 -23.721 -6.959 -28.964 1.00 8.25 N +ATOM 731 CA ILE A 85 -24.876 -6.826 -28.071 1.00 8.61 C +ATOM 732 CB ILE A 85 -26.081 -6.227 -28.807 1.00 9.61 C +ATOM 733 CG1 ILE A 85 -25.818 -4.735 -29.062 1.00 10.88 C +ATOM 734 CD1 ILE A 85 -26.736 -4.127 -30.111 1.00 13.48 C +ATOM 735 CG2 ILE A 85 -27.392 -6.397 -28.007 1.00 9.42 C +ATOM 736 C ILE A 85 -25.268 -8.119 -27.342 1.00 7.41 C +ATOM 737 O ILE A 85 -25.422 -8.111 -26.115 1.00 8.94 O +ATOM 738 N VAL A 86 -25.415 -9.219 -28.085 1.00 6.37 N +ATOM 739 CA VAL A 86 -25.884 -10.465 -27.491 1.00 6.19 C +ATOM 740 CB AVAL A 86 -26.273 -11.494 -28.594 0.51 5.97 C +ATOM 741 CB BVAL A 86 -26.459 -11.491 -28.507 0.49 6.20 C +ATOM 742 CG1AVAL A 86 -27.034 -12.683 -28.001 0.51 5.42 C +ATOM 743 CG1BVAL A 86 -27.752 -10.950 -29.078 0.49 6.31 C +ATOM 744 CG2AVAL A 86 -27.045 -10.819 -29.719 0.51 5.92 C +ATOM 745 CG2BVAL A 86 -25.454 -11.880 -29.591 0.49 5.81 C +ATOM 746 C VAL A 86 -24.838 -11.101 -26.593 1.00 7.25 C +ATOM 747 O VAL A 86 -25.156 -11.551 -25.509 1.00 7.60 O +ATOM 748 N ILE A 87 -23.577 -11.134 -27.042 1.00 8.21 N +ATOM 749 CA ILE A 87 -22.494 -11.541 -26.144 1.00 9.69 C +ATOM 750 CB ILE A 87 -21.147 -11.350 -26.793 1.00 10.87 C +ATOM 751 CG1 ILE A 87 -20.997 -12.340 -27.919 1.00 10.95 C +ATOM 752 CD1 ILE A 87 -19.722 -12.109 -28.723 1.00 11.24 C +ATOM 753 CG2 ILE A 87 -20.024 -11.536 -25.766 1.00 14.74 C +ATOM 754 C ILE A 87 -22.538 -10.784 -24.812 1.00 8.23 C +ATOM 755 O ILE A 87 -22.523 -11.346 -23.716 1.00 8.72 O +ATOM 756 N THR A 88 -22.670 -9.477 -24.926 1.00 10.12 N +ATOM 757 CA THR A 88 -22.714 -8.602 -23.763 1.00 9.66 C +ATOM 758 CB THR A 88 -22.715 -7.129 -24.183 1.00 8.86 C +ATOM 759 OG1 THR A 88 -21.550 -6.851 -24.946 1.00 8.21 O +ATOM 760 CG2 THR A 88 -22.750 -6.198 -22.941 1.00 9.41 C +ATOM 761 C THR A 88 -23.930 -8.894 -22.883 1.00 10.56 C +ATOM 762 O THR A 88 -23.764 -8.988 -21.693 1.00 9.67 O +ATOM 763 N LEU A 89 -25.143 -9.003 -23.472 1.00 9.79 N +ATOM 764 CA LEU A 89 -26.351 -9.272 -22.666 1.00 9.43 C +ATOM 765 CB LEU A 89 -27.643 -9.258 -23.486 1.00 10.49 C +ATOM 766 CG LEU A 89 -27.995 -7.896 -24.095 1.00 13.29 C +ATOM 767 CD1 LEU A 89 -29.258 -8.022 -24.924 1.00 12.80 C +ATOM 768 CD2 LEU A 89 -28.146 -6.789 -23.045 1.00 15.37 C +ATOM 769 C LEU A 89 -26.282 -10.585 -21.926 1.00 10.23 C +ATOM 770 O LEU A 89 -26.704 -10.679 -20.764 1.00 16.46 O +ATOM 771 N ILE A 90 -25.812 -11.623 -22.624 1.00 9.43 N +ATOM 772 CA ILE A 90 -25.857 -12.976 -22.135 1.00 10.41 C +ATOM 773 CB ILE A 90 -25.635 -14.011 -23.289 1.00 10.97 C +ATOM 774 CG1 ILE A 90 -26.824 -14.038 -24.260 1.00 10.17 C +ATOM 775 CD1 ILE A 90 -26.655 -15.025 -25.433 1.00 11.35 C +ATOM 776 CG2 ILE A 90 -25.509 -15.408 -22.688 1.00 13.93 C +ATOM 777 C ILE A 90 -24.770 -13.094 -21.068 1.00 10.30 C +ATOM 778 O ILE A 90 -24.983 -13.657 -20.017 1.00 11.27 O +ATOM 779 N SER A 91 -23.585 -12.592 -21.376 1.00 9.52 N +ATOM 780 CA SER A 91 -22.496 -12.648 -20.400 1.00 14.52 C +ATOM 781 CB SER A 91 -21.150 -12.232 -20.995 1.00 13.25 C +ATOM 782 OG SER A 91 -21.137 -10.897 -21.373 1.00 12.23 O +ATOM 783 C SER A 91 -22.830 -11.849 -19.104 1.00 10.37 C +ATOM 784 O SER A 91 -22.594 -12.347 -18.006 1.00 9.69 O +ATOM 785 N ALA A 92 -23.413 -10.658 -19.258 1.00 9.09 N +ATOM 786 CA ALA A 92 -23.796 -9.842 -18.101 1.00 9.92 C +ATOM 787 CB ALA A 92 -24.308 -8.468 -18.495 1.00 9.81 C +ATOM 788 C ALA A 92 -24.801 -10.537 -17.236 1.00 9.21 C +ATOM 789 O ALA A 92 -24.706 -10.526 -16.033 1.00 11.95 O +ATOM 790 N LEU A 93 -25.808 -11.144 -17.859 1.00 12.58 N +ATOM 791 CA LEU A 93 -26.889 -11.767 -17.122 1.00 11.15 C +ATOM 792 CB LEU A 93 -27.971 -12.131 -18.109 1.00 13.97 C +ATOM 793 CG LEU A 93 -29.237 -12.642 -17.553 1.00 15.28 C +ATOM 794 CD1 LEU A 93 -29.899 -11.649 -16.608 1.00 14.89 C +ATOM 795 CD2 LEU A 93 -30.116 -12.981 -18.765 1.00 18.93 C +ATOM 796 C LEU A 93 -26.415 -13.023 -16.412 1.00 9.22 C +ATOM 797 O LEU A 93 -26.731 -13.238 -15.228 1.00 9.53 O +ATOM 798 N LEU A 94 -25.694 -13.876 -17.152 1.00 8.54 N +ATOM 799 CA LEU A 94 -25.294 -15.171 -16.619 1.00 10.77 C +ATOM 800 CB ALEU A 94 -24.829 -16.136 -17.723 0.55 9.48 C +ATOM 801 CB BLEU A 94 -24.816 -16.139 -17.721 0.45 10.53 C +ATOM 802 CG ALEU A 94 -25.951 -16.947 -18.370 0.55 8.72 C +ATOM 803 CG BLEU A 94 -25.178 -17.633 -17.610 0.45 11.01 C +ATOM 804 CD1ALEU A 94 -26.867 -16.083 -19.194 0.55 8.52 C +ATOM 805 CD1BLEU A 94 -24.001 -18.494 -18.067 0.45 10.97 C +ATOM 806 CD2ALEU A 94 -25.392 -18.028 -19.262 0.55 9.47 C +ATOM 807 CD2BLEU A 94 -25.628 -18.110 -16.232 0.45 10.57 C +ATOM 808 C LEU A 94 -24.214 -14.981 -15.547 1.00 10.87 C +ATOM 809 O LEU A 94 -24.253 -15.639 -14.484 1.00 14.49 O +ATOM 810 N SER A 95 -23.285 -14.047 -15.793 1.00 9.20 N +ATOM 811 CA SER A 95 -22.207 -13.834 -14.848 1.00 9.77 C +ATOM 812 CB SER A 95 -21.117 -12.956 -15.460 1.00 11.24 C +ATOM 813 OG SER A 95 -21.572 -11.635 -15.673 1.00 10.77 O +ATOM 814 C SER A 95 -22.751 -13.283 -13.559 1.00 10.28 C +ATOM 815 O SER A 95 -22.375 -13.713 -12.471 1.00 11.54 O +ATOM 816 N GLY A 96 -23.731 -12.382 -13.665 1.00 9.63 N +ATOM 817 CA GLY A 96 -24.378 -11.829 -12.478 1.00 9.09 C +ATOM 818 C GLY A 96 -25.141 -12.884 -11.699 1.00 10.87 C +ATOM 819 O GLY A 96 -25.141 -12.896 -10.441 1.00 9.44 O +ATOM 820 N TYR A 97 -25.859 -13.751 -12.429 1.00 10.40 N +ATOM 821 CA TYR A 97 -26.655 -14.754 -11.774 1.00 10.22 C +ATOM 822 CB TYR A 97 -27.494 -15.567 -12.778 1.00 9.26 C +ATOM 823 CG TYR A 97 -27.807 -16.936 -12.322 1.00 11.80 C +ATOM 824 CD1 TYR A 97 -28.754 -17.188 -11.355 1.00 13.53 C +ATOM 825 CE1 TYR A 97 -28.983 -18.468 -10.903 1.00 15.13 C +ATOM 826 CZ TYR A 97 -28.277 -19.507 -11.428 1.00 17.92 C +ATOM 827 OH TYR A 97 -28.481 -20.849 -11.075 1.00 35.59 O +ATOM 828 CE2 TYR A 97 -27.349 -19.281 -12.393 1.00 20.60 C +ATOM 829 CD2 TYR A 97 -27.099 -18.002 -12.821 1.00 15.19 C +ATOM 830 C TYR A 97 -25.742 -15.665 -10.949 1.00 10.61 C +ATOM 831 O TYR A 97 -26.076 -16.007 -9.815 1.00 9.19 O +ATOM 832 N VAL A 98 -24.630 -16.110 -11.557 1.00 10.24 N +ATOM 833 CA VAL A 98 -23.738 -17.053 -10.906 1.00 11.42 C +ATOM 834 CB VAL A 98 -22.720 -17.603 -11.911 1.00 13.55 C +ATOM 835 CG1 VAL A 98 -21.656 -18.421 -11.180 1.00 13.24 C +ATOM 836 CG2 VAL A 98 -23.432 -18.479 -12.959 1.00 13.47 C +ATOM 837 C VAL A 98 -23.008 -16.416 -9.723 1.00 9.87 C +ATOM 838 O VAL A 98 -22.858 -17.034 -8.676 1.00 8.32 O +ATOM 839 N GLN A 99 -22.532 -15.185 -9.922 1.00 9.03 N +ATOM 840 CA GLN A 99 -21.917 -14.421 -8.865 1.00 10.14 C +ATOM 841 CB GLN A 99 -21.501 -13.048 -9.325 1.00 9.94 C +ATOM 842 CG GLN A 99 -20.687 -12.277 -8.253 1.00 12.42 C +ATOM 843 CD GLN A 99 -19.453 -13.015 -7.762 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -18.792 -13.713 -8.536 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -19.178 -12.931 -6.446 1.00 13.91 N +ATOM 846 C GLN A 99 -22.804 -14.289 -7.663 1.00 10.64 C +ATOM 847 O GLN A 99 -22.344 -14.507 -6.511 1.00 13.44 O +ATOM 848 N GLN A 100 -24.070 -13.917 -7.883 1.00 11.43 N +ATOM 849 CA GLN A 100 -24.954 -13.695 -6.736 1.00 10.79 C +ATOM 850 CB GLN A 100 -26.196 -12.878 -7.043 1.00 15.29 C +ATOM 851 CG GLN A 100 -27.204 -13.459 -8.029 1.00 15.18 C +ATOM 852 CD GLN A 100 -28.114 -14.523 -7.458 1.00 20.02 C +ATOM 853 OE1 GLN A 100 -28.505 -14.435 -6.271 1.00 17.98 O +ATOM 854 NE2 GLN A 100 -28.388 -15.624 -8.285 1.00 13.46 N +ATOM 855 C GLN A 100 -25.298 -14.992 -6.047 1.00 11.18 C +ATOM 856 O GLN A 100 -25.412 -15.020 -4.832 1.00 10.28 O +ATOM 857 N LYS A 101 -25.404 -16.087 -6.811 1.00 12.05 N +ATOM 858 CA LYS A 101 -25.674 -17.401 -6.220 1.00 15.91 C +ATOM 859 CB LYS A 101 -25.751 -18.484 -7.295 1.00 19.62 C +ATOM 860 CG LYS A 101 -26.193 -19.845 -6.800 1.00 25.54 C +ATOM 861 CD LYS A 101 -27.485 -19.801 -5.989 1.00 36.13 C +ATOM 862 CE LYS A 101 -28.621 -19.017 -6.647 1.00 47.35 C +ATOM 863 NZ LYS A 101 -29.789 -18.961 -5.714 1.00 53.61 N +ATOM 864 C LYS A 101 -24.603 -17.820 -5.194 1.00 14.76 C +ATOM 865 O LYS A 101 -24.938 -18.368 -4.195 1.00 12.05 O +ATOM 866 N PHE A 102 -23.324 -17.590 -5.499 1.00 17.64 N +ATOM 867 CA PHE A 102 -22.218 -18.037 -4.646 1.00 22.08 C +ATOM 868 CB PHE A 102 -20.889 -18.140 -5.396 1.00 32.43 C +ATOM 869 CG PHE A 102 -20.817 -19.229 -6.440 1.00 49.16 C +ATOM 870 CD1 PHE A 102 -21.765 -20.246 -6.530 1.00 57.17 C +ATOM 871 CE1 PHE A 102 -21.644 -21.242 -7.500 1.00 64.20 C +ATOM 872 CZ PHE A 102 -20.559 -21.243 -8.373 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -19.593 -20.250 -8.286 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -19.721 -19.253 -7.325 1.00 70.03 C +ATOM 875 C PHE A 102 -21.959 -17.075 -3.509 1.00 15.16 C +ATOM 876 O PHE A 102 -21.667 -17.509 -2.436 1.00 18.94 O +ATOM 877 N SER A 103 -22.073 -15.771 -3.773 1.00 13.90 N +ATOM 878 CA SER A 103 -21.572 -14.727 -2.891 1.00 11.20 C +ATOM 879 CB SER A 103 -20.309 -14.195 -3.558 1.00 11.98 C +ATOM 880 OG SER A 103 -19.427 -15.276 -3.653 1.00 11.27 O +ATOM 881 C SER A 103 -22.473 -13.525 -2.612 1.00 11.46 C +ATOM 882 O SER A 103 -22.046 -12.573 -1.977 1.00 9.51 O +ATOM 883 N GLY A 104 -23.690 -13.523 -3.166 1.00 10.24 N +ATOM 884 CA GLY A 104 -24.637 -12.451 -2.929 1.00 9.26 C +ATOM 885 C GLY A 104 -24.549 -11.285 -3.911 1.00 9.97 C +ATOM 886 O GLY A 104 -23.775 -11.275 -4.866 1.00 7.26 O +ATOM 887 N PRO A 105 -25.419 -10.276 -3.720 1.00 7.88 N +ATOM 888 CA PRO A 105 -25.678 -9.282 -4.757 1.00 8.48 C +ATOM 889 CB PRO A 105 -27.062 -8.809 -4.339 1.00 8.22 C +ATOM 890 CG PRO A 105 -27.007 -8.885 -2.822 1.00 6.83 C +ATOM 891 CD PRO A 105 -26.293 -10.159 -2.551 1.00 6.35 C +ATOM 892 C PRO A 105 -24.685 -8.063 -4.877 1.00 10.05 C +ATOM 893 O PRO A 105 -24.861 -7.192 -5.734 1.00 10.01 O +ATOM 894 N TRP A 106 -23.694 -7.998 -3.989 1.00 11.69 N +ATOM 895 CA TRP A 106 -22.848 -6.807 -3.829 1.00 11.54 C +ATOM 896 CB TRP A 106 -22.502 -6.595 -2.355 1.00 12.46 C +ATOM 897 CG TRP A 106 -23.715 -6.450 -1.568 1.00 12.18 C +ATOM 898 CD1 TRP A 106 -24.239 -7.363 -0.718 1.00 10.82 C +ATOM 899 NE1 TRP A 106 -25.396 -6.873 -0.152 1.00 11.60 N +ATOM 900 CE2 TRP A 106 -25.684 -5.655 -0.714 1.00 11.11 C +ATOM 901 CD2 TRP A 106 -24.631 -5.353 -1.609 1.00 13.14 C +ATOM 902 CE3 TRP A 106 -24.669 -4.150 -2.305 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 -25.770 -3.290 -2.094 1.00 14.76 C +ATOM 904 CH2 TRP A 106 -26.783 -3.624 -1.182 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 -26.758 -4.800 -0.502 1.00 10.23 C +ATOM 906 C TRP A 106 -21.606 -6.969 -4.635 1.00 10.94 C +ATOM 907 O TRP A 106 -20.495 -7.168 -4.085 1.00 10.11 O +ATOM 908 N PHE A 107 -21.799 -6.916 -5.956 1.00 11.04 N +ATOM 909 CA PHE A 107 -20.731 -7.041 -6.918 1.00 10.70 C +ATOM 910 CB PHE A 107 -20.674 -8.485 -7.421 1.00 13.62 C +ATOM 911 CG PHE A 107 -21.858 -8.897 -8.228 1.00 12.43 C +ATOM 912 CD1 PHE A 107 -22.981 -9.371 -7.610 1.00 14.88 C +ATOM 913 CE1 PHE A 107 -24.085 -9.758 -8.334 1.00 15.39 C +ATOM 914 CZ PHE A 107 -24.073 -9.635 -9.696 1.00 15.58 C +ATOM 915 CE2 PHE A 107 -22.946 -9.171 -10.344 1.00 12.75 C +ATOM 916 CD2 PHE A 107 -21.843 -8.787 -9.601 1.00 14.16 C +ATOM 917 C PHE A 107 -20.976 -6.075 -8.050 1.00 12.33 C +ATOM 918 O PHE A 107 -22.081 -5.532 -8.209 1.00 12.46 O +ATOM 919 N GLY A 108 -19.935 -5.839 -8.848 1.00 9.93 N +ATOM 920 CA GLY A 108 -20.072 -5.014 -10.016 1.00 8.76 C +ATOM 921 C GLY A 108 -18.853 -5.117 -10.877 1.00 9.73 C +ATOM 922 O GLY A 108 -17.823 -5.611 -10.457 1.00 9.84 O +ATOM 923 N GLY A 109 -18.969 -4.614 -12.098 1.00 10.32 N +ATOM 924 CA GLY A 109 -17.840 -4.570 -12.990 1.00 10.57 C +ATOM 925 C GLY A 109 -18.073 -5.267 -14.313 1.00 11.70 C +ATOM 926 O GLY A 109 -18.826 -6.246 -14.402 1.00 11.87 O +ATOM 927 N LEU A 110 -17.362 -4.781 -15.328 1.00 11.04 N +ATOM 928 CA LEU A 110 -17.378 -5.314 -16.673 1.00 14.57 C +ATOM 929 CB LEU A 110 -16.975 -4.182 -17.651 1.00 11.87 C +ATOM 930 CG LEU A 110 -17.367 -4.420 -19.106 1.00 12.86 C +ATOM 931 CD1 LEU A 110 -18.906 -4.481 -19.217 1.00 12.16 C +ATOM 932 CD2 LEU A 110 -16.783 -3.269 -19.930 1.00 12.82 C +ATOM 933 C LEU A 110 -16.566 -6.625 -16.949 1.00 11.01 C +ATOM 934 O LEU A 110 -16.628 -7.196 -18.013 1.00 14.43 O +ATOM 935 N SER A 111 -15.834 -7.123 -15.969 1.00 13.29 N +ATOM 936 CA SER A 111 -14.972 -8.267 -16.183 1.00 10.12 C +ATOM 937 CB SER A 111 -14.054 -8.500 -14.971 1.00 10.55 C +ATOM 938 OG SER A 111 -14.775 -8.858 -13.780 1.00 11.02 O +ATOM 939 C SER A 111 -15.678 -9.568 -16.545 1.00 12.43 C +ATOM 940 O SER A 111 -15.048 -10.443 -17.156 1.00 13.91 O +ATOM 941 N GLY A 112 -16.960 -9.714 -16.178 1.00 12.21 N +ATOM 942 CA GLY A 112 -17.730 -10.883 -16.590 1.00 12.07 C +ATOM 943 C GLY A 112 -17.795 -10.878 -18.101 1.00 11.14 C +ATOM 944 O GLY A 112 -17.527 -11.896 -18.794 1.00 9.44 O +ATOM 945 N VAL A 113 -18.140 -9.697 -18.622 1.00 10.51 N +ATOM 946 CA VAL A 113 -18.237 -9.432 -20.058 1.00 10.87 C +ATOM 947 CB VAL A 113 -18.860 -8.050 -20.347 1.00 8.83 C +ATOM 948 CG1 VAL A 113 -18.840 -7.788 -21.821 1.00 13.82 C +ATOM 949 CG2 VAL A 113 -20.287 -7.963 -19.851 1.00 9.67 C +ATOM 950 C VAL A 113 -16.867 -9.537 -20.717 1.00 9.75 C +ATOM 951 O VAL A 113 -16.721 -10.090 -21.744 1.00 10.43 O +ATOM 952 N VAL A 114 -15.846 -8.969 -20.087 1.00 10.82 N +ATOM 953 CA VAL A 114 -14.518 -9.053 -20.623 1.00 10.51 C +ATOM 954 CB VAL A 114 -13.535 -8.221 -19.807 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -12.119 -8.534 -20.200 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -13.823 -6.761 -20.044 1.00 11.97 C +ATOM 957 C VAL A 114 -14.052 -10.495 -20.745 1.00 10.52 C +ATOM 958 O VAL A 114 -13.441 -10.844 -21.780 1.00 8.61 O +ATOM 959 N TYR A 115 -14.323 -11.316 -19.712 1.00 11.27 N +ATOM 960 CA TYR A 115 -13.934 -12.738 -19.733 1.00 12.70 C +ATOM 961 CB TYR A 115 -14.181 -13.493 -18.402 1.00 13.31 C +ATOM 962 CG TYR A 115 -13.064 -13.355 -17.341 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -12.503 -12.128 -17.051 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -11.532 -11.985 -16.107 1.00 13.42 C +ATOM 965 CZ TYR A 115 -11.107 -13.073 -15.378 1.00 17.17 C +ATOM 966 OH TYR A 115 -10.130 -12.878 -14.406 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -11.649 -14.326 -15.628 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -12.619 -14.460 -16.605 1.00 18.31 C +ATOM 969 C TYR A 115 -14.631 -13.474 -20.896 1.00 13.25 C +ATOM 970 O TYR A 115 -14.008 -14.293 -21.549 1.00 12.92 O +ATOM 971 N ALA A 116 -15.922 -13.181 -21.124 1.00 11.18 N +ATOM 972 CA ALA A 116 -16.682 -13.748 -22.253 1.00 10.79 C +ATOM 973 CB ALA A 116 -18.111 -13.238 -22.199 1.00 11.53 C +ATOM 974 C ALA A 116 -16.016 -13.378 -23.597 1.00 12.39 C +ATOM 975 O ALA A 116 -15.812 -14.227 -24.461 1.00 9.32 O +ATOM 976 N LEU A 117 -15.585 -12.118 -23.726 1.00 11.10 N +ATOM 977 CA LEU A 117 -14.951 -11.675 -24.972 1.00 12.43 C +ATOM 978 CB LEU A 117 -14.736 -10.149 -24.961 1.00 9.99 C +ATOM 979 CG LEU A 117 -16.027 -9.377 -25.081 1.00 12.19 C +ATOM 980 CD1 LEU A 117 -15.724 -7.897 -24.901 1.00 14.38 C +ATOM 981 CD2 LEU A 117 -16.672 -9.641 -26.437 1.00 10.14 C +ATOM 982 C LEU A 117 -13.638 -12.389 -25.214 1.00 10.88 C +ATOM 983 O LEU A 117 -13.328 -12.824 -26.351 1.00 11.53 O +ATOM 984 N MET A 118 -12.851 -12.502 -24.141 1.00 10.42 N +ATOM 985 CA MET A 118 -11.595 -13.206 -24.213 1.00 10.48 C +ATOM 986 CB MET A 118 -10.919 -13.204 -22.869 1.00 13.13 C +ATOM 987 CG MET A 118 -10.235 -11.881 -22.543 1.00 14.60 C +ATOM 988 SD MET A 118 -9.697 -11.993 -20.810 1.00 14.44 S +ATOM 989 CE MET A 118 -8.704 -10.514 -20.701 1.00 20.16 C +ATOM 990 C MET A 118 -11.761 -14.618 -24.698 1.00 9.46 C +ATOM 991 O MET A 118 -11.060 -15.045 -25.640 1.00 8.61 O +ATOM 992 N GLY A 119 -12.676 -15.347 -24.056 1.00 7.77 N +ATOM 993 CA GLY A 119 -12.966 -16.713 -24.453 1.00 11.08 C +ATOM 994 C GLY A 119 -13.568 -16.824 -25.877 1.00 11.34 C +ATOM 995 O GLY A 119 -13.253 -17.739 -26.634 1.00 8.29 O +ATOM 996 N TYR A 120 -14.462 -15.883 -26.208 1.00 11.77 N +ATOM 997 CA TYR A 120 -15.099 -15.824 -27.496 1.00 10.79 C +ATOM 998 CB TYR A 120 -16.149 -14.701 -27.575 1.00 9.35 C +ATOM 999 CG TYR A 120 -16.925 -14.827 -28.862 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 -18.014 -15.699 -28.991 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 -18.697 -15.813 -30.200 1.00 7.07 C +ATOM 1002 CZ TYR A 120 -18.264 -15.068 -31.291 1.00 7.22 C +ATOM 1003 OH TYR A 120 -18.818 -15.100 -32.514 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 -17.185 -14.218 -31.169 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 -16.536 -14.112 -29.972 1.00 8.76 C +ATOM 1006 C TYR A 120 -14.067 -15.673 -28.629 1.00 11.63 C +ATOM 1007 O TYR A 120 -14.038 -16.500 -29.602 1.00 7.78 O +ATOM 1008 N VAL A 121 -13.267 -14.598 -28.531 1.00 12.00 N +ATOM 1009 CA VAL A 121 -12.352 -14.233 -29.617 1.00 9.62 C +ATOM 1010 CB VAL A 121 -11.726 -12.835 -29.453 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -10.634 -12.584 -30.510 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -12.800 -11.761 -29.521 1.00 10.90 C +ATOM 1013 C VAL A 121 -11.298 -15.322 -29.746 1.00 10.36 C +ATOM 1014 O VAL A 121 -10.996 -15.801 -30.855 1.00 9.00 O +ATOM 1015 N TRP A 122 -10.773 -15.769 -28.604 1.00 10.35 N +ATOM 1016 CA TRP A 122 -9.756 -16.802 -28.633 1.00 10.59 C +ATOM 1017 CB TRP A 122 -9.291 -17.164 -27.216 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.260 -18.221 -27.287 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -7.018 -18.096 -27.792 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -6.368 -19.295 -27.736 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -7.208 -20.227 -27.196 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -8.415 -19.585 -26.922 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -9.458 -20.322 -26.367 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -9.251 -21.675 -26.112 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -8.037 -22.296 -26.416 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -7.005 -21.589 -26.948 1.00 14.95 C +ATOM 1027 C TRP A 122 -10.271 -18.098 -29.330 1.00 10.52 C +ATOM 1028 O TRP A 122 -9.642 -18.613 -30.253 1.00 6.62 O +ATOM 1029 N LEU A 123 -11.401 -18.616 -28.832 1.00 9.99 N +ATOM 1030 CA LEU A 123 -11.904 -19.899 -29.265 1.00 12.53 C +ATOM 1031 CB LEU A 123 -13.012 -20.423 -28.334 1.00 12.84 C +ATOM 1032 CG LEU A 123 -13.474 -21.836 -28.784 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -12.319 -22.836 -28.815 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -14.618 -22.355 -27.923 1.00 18.37 C +ATOM 1035 C LEU A 123 -12.394 -19.811 -30.720 1.00 12.42 C +ATOM 1036 O LEU A 123 -12.144 -20.703 -31.511 1.00 9.14 O +ATOM 1037 N ARG A 124 -13.066 -18.704 -31.059 1.00 12.68 N +ATOM 1038 CA ARG A 124 -13.569 -18.511 -32.418 1.00 13.93 C +ATOM 1039 CB ARG A 124 -14.383 -17.228 -32.483 1.00 14.88 C +ATOM 1040 CG ARG A 124 -15.127 -16.966 -33.767 1.00 18.68 C +ATOM 1041 CD ARG A 124 -16.425 -17.754 -33.906 1.00 18.98 C +ATOM 1042 NE ARG A 124 -16.953 -17.666 -35.274 1.00 18.18 N +ATOM 1043 CZ ARG A 124 -17.763 -16.712 -35.744 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 -18.205 -15.718 -34.996 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 -18.163 -16.771 -36.991 1.00 19.04 N +ATOM 1046 C ARG A 124 -12.387 -18.518 -33.388 1.00 11.93 C +ATOM 1047 O ARG A 124 -12.441 -19.155 -34.420 1.00 11.11 O +ATOM 1048 N GLY A 125 -11.317 -17.809 -33.015 1.00 11.83 N +ATOM 1049 CA GLY A 125 -10.048 -17.842 -33.713 1.00 13.33 C +ATOM 1050 C GLY A 125 -9.528 -19.251 -33.909 1.00 12.39 C +ATOM 1051 O GLY A 125 -9.235 -19.650 -35.019 1.00 14.55 O +ATOM 1052 N GLU A 126 -9.444 -20.019 -32.825 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.928 -21.380 -32.903 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.795 -21.999 -31.501 1.00 21.28 C +ATOM 1055 CG GLU A 126 -7.744 -21.326 -30.629 1.00 25.78 C +ATOM 1056 CD GLU A 126 -6.345 -21.288 -31.257 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -5.602 -22.272 -31.113 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -5.976 -20.258 -31.880 1.00 34.29 O +ATOM 1059 C GLU A 126 -9.757 -22.296 -33.811 1.00 22.38 C +ATOM 1060 O GLU A 126 -9.197 -23.086 -34.563 1.00 19.45 O +ATOM 1061 N ARG A 127 -11.091 -22.194 -33.732 1.00 24.01 N +ATOM 1062 CA ARG A 127 -11.986 -23.156 -34.386 1.00 25.28 C +ATOM 1063 CB ARG A 127 -13.231 -23.388 -33.528 1.00 25.96 C +ATOM 1064 CG ARG A 127 -12.970 -24.151 -32.236 1.00 30.58 C +ATOM 1065 CD ARG A 127 -14.247 -24.772 -31.668 1.00 33.46 C +ATOM 1066 NE ARG A 127 -14.721 -25.883 -32.494 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -15.973 -26.073 -32.918 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -16.962 -25.267 -32.566 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -16.248 -27.109 -33.692 1.00 35.07 N +ATOM 1070 C ARG A 127 -12.416 -22.743 -35.790 1.00 25.09 C +ATOM 1071 O ARG A 127 -12.815 -23.564 -36.580 1.00 38.00 O +ATOM 1072 N ASP A 128 -12.329 -21.450 -36.087 1.00 30.78 N +ATOM 1073 CA ASP A 128 -13.007 -20.860 -37.225 1.00 27.85 C +ATOM 1074 CB ASP A 128 -14.399 -20.412 -36.758 1.00 37.74 C +ATOM 1075 CG ASP A 128 -15.303 -19.951 -37.882 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -15.002 -20.198 -39.071 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 -16.343 -19.338 -37.537 1.00 23.64 O +ATOM 1078 C ASP A 128 -12.134 -19.685 -37.650 1.00 29.31 C +ATOM 1079 O ASP A 128 -12.553 -18.530 -37.595 1.00 21.22 O +ATOM 1080 N PRO A 129 -10.867 -19.970 -38.030 1.00 31.44 N +ATOM 1081 CA PRO A 129 -9.928 -18.958 -38.517 1.00 33.06 C +ATOM 1082 CB PRO A 129 -8.972 -19.795 -39.389 1.00 39.26 C +ATOM 1083 CG PRO A 129 -9.029 -21.188 -38.830 1.00 36.32 C +ATOM 1084 CD PRO A 129 -10.254 -21.310 -37.967 1.00 33.88 C +ATOM 1085 C PRO A 129 -10.464 -17.776 -39.345 1.00 26.37 C +ATOM 1086 O PRO A 129 -10.241 -16.636 -38.978 1.00 36.71 O +ATOM 1087 N GLN A 130 -11.126 -18.046 -40.468 1.00 29.64 N +ATOM 1088 CA GLN A 130 -11.389 -16.987 -41.437 1.00 39.65 C +ATOM 1089 CB GLN A 130 -11.025 -17.420 -42.873 1.00 44.02 C +ATOM 1090 CG GLN A 130 -9.710 -18.198 -43.046 1.00 46.53 C +ATOM 1091 CD GLN A 130 -8.468 -17.585 -42.384 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -8.529 -16.625 -41.606 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.320 -18.169 -42.695 1.00 49.29 N +ATOM 1094 C GLN A 130 -12.803 -16.394 -41.366 1.00 40.56 C +ATOM 1095 O GLN A 130 -13.372 -15.991 -42.378 1.00 43.17 O +ATOM 1096 N SER A 131 -13.350 -16.326 -40.149 1.00 36.80 N +ATOM 1097 CA SER A 131 -14.344 -15.316 -39.798 1.00 34.27 C +ATOM 1098 CB SER A 131 -15.177 -15.744 -38.589 1.00 42.18 C +ATOM 1099 OG SER A 131 -14.416 -16.498 -37.658 1.00 46.33 O +ATOM 1100 C SER A 131 -13.600 -14.000 -39.521 1.00 33.35 C +ATOM 1101 O SER A 131 -14.235 -12.954 -39.321 1.00 24.86 O +ATOM 1102 N GLY A 132 -12.254 -14.077 -39.521 1.00 25.71 N +ATOM 1103 CA GLY A 132 -11.366 -12.940 -39.432 1.00 23.70 C +ATOM 1104 C GLY A 132 -11.239 -12.417 -38.009 1.00 30.35 C +ATOM 1105 O GLY A 132 -10.857 -11.264 -37.797 1.00 28.25 O +ATOM 1106 N ILE A 133 -11.572 -13.260 -37.027 1.00 25.82 N +ATOM 1107 CA ILE A 133 -11.446 -12.896 -35.631 1.00 31.87 C +ATOM 1108 CB ILE A 133 -12.849 -12.743 -34.957 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -12.801 -11.670 -33.873 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -13.755 -11.894 -32.709 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -13.388 -14.072 -34.425 1.00 34.59 C +ATOM 1112 C ILE A 133 -10.533 -13.937 -34.951 1.00 32.43 C +ATOM 1113 O ILE A 133 -10.728 -15.152 -35.095 1.00 27.54 O +ATOM 1114 N TYR A 134 -9.509 -13.450 -34.241 1.00 29.47 N +ATOM 1115 CA TYR A 134 -8.621 -14.312 -33.448 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.613 -15.040 -34.350 1.00 25.02 C +ATOM 1117 CG TYR A 134 -6.583 -14.107 -34.925 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -6.905 -13.253 -35.990 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -5.964 -12.382 -36.519 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -4.686 -12.353 -35.977 1.00 37.28 C +ATOM 1121 OH TYR A 134 -3.757 -11.496 -36.505 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -4.340 -13.187 -34.925 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -5.282 -14.058 -34.406 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.893 -13.491 -32.383 1.00 22.78 C +ATOM 1125 O TYR A 134 -7.861 -12.269 -32.433 1.00 15.53 O +ATOM 1126 N LEU A 135 -7.321 -14.186 -31.401 1.00 20.92 N +ATOM 1127 CA LEU A 135 -6.534 -13.553 -30.353 1.00 20.28 C +ATOM 1128 CB LEU A 135 -7.028 -14.004 -28.972 1.00 17.40 C +ATOM 1129 CG LEU A 135 -6.514 -13.174 -27.803 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -6.937 -11.714 -27.899 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -6.991 -13.780 -26.499 1.00 18.34 C +ATOM 1132 C LEU A 135 -5.079 -13.948 -30.614 1.00 19.49 C +ATOM 1133 O LEU A 135 -4.699 -15.108 -30.433 1.00 21.86 O +ATOM 1134 N GLN A 136 -4.276 -12.980 -31.071 1.00 18.05 N +ATOM 1135 CA GLN A 136 -2.855 -13.180 -31.288 1.00 17.10 C +ATOM 1136 CB GLN A 136 -2.180 -11.867 -31.778 1.00 26.31 C +ATOM 1137 CG GLN A 136 -0.952 -12.070 -32.666 1.00 39.12 C +ATOM 1138 CD GLN A 136 -0.347 -10.782 -33.262 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -0.448 -10.549 -34.470 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 0.308 -9.969 -32.432 1.00 44.72 N +ATOM 1141 C GLN A 136 -2.223 -13.730 -29.975 1.00 11.77 C +ATOM 1142 O GLN A 136 -2.556 -13.291 -28.867 1.00 9.83 O +ATOM 1143 N ARG A 137 -1.373 -14.744 -30.132 1.00 9.13 N +ATOM 1144 CA ARG A 137 -0.495 -15.314 -29.111 1.00 9.26 C +ATOM 1145 CB ARG A 137 0.800 -15.704 -29.813 1.00 9.45 C +ATOM 1146 CG ARG A 137 0.732 -17.014 -30.553 1.00 7.99 C +ATOM 1147 CD ARG A 137 2.071 -17.263 -31.200 1.00 8.29 C +ATOM 1148 NE ARG A 137 2.145 -18.649 -31.559 1.00 7.81 N +ATOM 1149 CZ ARG A 137 3.209 -19.239 -32.033 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 4.332 -18.584 -32.246 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 3.140 -20.517 -32.283 1.00 7.93 N +ATOM 1152 C ARG A 137 -0.118 -14.402 -27.957 1.00 9.30 C +ATOM 1153 O ARG A 137 -0.435 -14.651 -26.786 1.00 7.70 O +ATOM 1154 N GLY A 138 0.580 -13.320 -28.306 1.00 10.91 N +ATOM 1155 CA GLY A 138 0.953 -12.307 -27.356 1.00 11.21 C +ATOM 1156 C GLY A 138 -0.191 -11.922 -26.484 1.00 11.70 C +ATOM 1157 O GLY A 138 -0.146 -12.069 -25.278 1.00 13.34 O +ATOM 1158 N LEU A 139 -1.253 -11.407 -27.097 1.00 14.08 N +ATOM 1159 CA LEU A 139 -2.358 -10.968 -26.318 1.00 18.01 C +ATOM 1160 CB LEU A 139 -3.413 -10.202 -27.144 1.00 28.25 C +ATOM 1161 CG LEU A 139 -3.097 -8.723 -27.426 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -2.734 -7.993 -26.140 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -1.984 -8.573 -28.462 1.00 43.14 C +ATOM 1164 C LEU A 139 -2.990 -12.082 -25.544 1.00 12.45 C +ATOM 1165 O LEU A 139 -3.573 -11.814 -24.510 1.00 12.20 O +ATOM 1166 N ILE A 140 -2.946 -13.317 -26.056 1.00 12.62 N +ATOM 1167 CA ILE A 140 -3.577 -14.387 -25.291 1.00 18.00 C +ATOM 1168 CB ILE A 140 -3.993 -15.656 -26.067 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -4.476 -16.800 -25.100 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -5.674 -16.528 -24.162 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -2.887 -16.154 -26.946 1.00 31.26 C +ATOM 1172 C ILE A 140 -2.757 -14.716 -24.071 1.00 14.01 C +ATOM 1173 O ILE A 140 -3.339 -15.009 -23.034 1.00 12.52 O +ATOM 1174 N ILE A 141 -1.424 -14.601 -24.169 1.00 10.25 N +ATOM 1175 CA ILE A 141 -0.623 -14.664 -22.963 1.00 9.31 C +ATOM 1176 CB ILE A 141 0.851 -14.452 -23.248 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 1.394 -15.732 -23.874 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 1.207 -16.942 -22.980 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 1.590 -13.997 -21.975 1.00 8.46 C +ATOM 1180 C ILE A 141 -1.130 -13.647 -21.932 1.00 8.65 C +ATOM 1181 O ILE A 141 -1.367 -13.995 -20.758 1.00 8.01 O +ATOM 1182 N APHE A 142 -1.343 -12.405 -22.369 0.58 7.17 N +ATOM 1183 N BPHE A 142 -1.289 -12.393 -22.378 0.42 7.80 N +ATOM 1184 CA APHE A 142 -1.687 -11.367 -21.429 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -1.711 -11.291 -21.522 0.42 7.36 C +ATOM 1186 CB APHE A 142 -1.398 -9.987 -22.018 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -1.756 -9.979 -22.323 0.42 7.67 C +ATOM 1188 CG APHE A 142 0.062 -9.756 -22.301 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -2.011 -8.737 -21.490 0.42 8.19 C +ATOM 1190 CD1APHE A 142 0.992 -9.689 -21.258 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -2.302 -8.820 -20.136 0.42 7.81 C +ATOM 1192 CE1APHE A 142 2.325 -9.484 -21.517 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -2.533 -7.674 -19.392 0.42 7.89 C +ATOM 1194 CZ APHE A 142 2.756 -9.369 -22.811 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -2.503 -6.434 -20.005 0.42 7.97 C +ATOM 1196 CE2APHE A 142 1.872 -9.432 -23.855 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -2.242 -6.331 -21.359 0.42 7.76 C +ATOM 1198 CD2APHE A 142 0.539 -9.640 -23.610 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -1.995 -7.471 -22.090 0.42 8.58 C +ATOM 1200 C APHE A 142 -3.108 -11.565 -20.914 0.58 7.08 C +ATOM 1201 C BPHE A 142 -3.067 -11.628 -20.917 0.42 7.58 C +ATOM 1202 O APHE A 142 -3.420 -11.250 -19.736 0.58 6.64 O +ATOM 1203 O BPHE A 142 -3.291 -11.449 -19.698 0.42 7.63 O +ATOM 1204 N ALA A 143 -3.977 -12.135 -21.761 1.00 7.18 N +ATOM 1205 CA ALA A 143 -5.318 -12.461 -21.313 1.00 7.45 C +ATOM 1206 CB ALA A 143 -6.216 -12.928 -22.456 1.00 8.30 C +ATOM 1207 C ALA A 143 -5.228 -13.538 -20.247 1.00 8.58 C +ATOM 1208 O ALA A 143 -5.854 -13.469 -19.172 1.00 8.72 O +ATOM 1209 N LEU A 144 -4.415 -14.544 -20.548 1.00 8.93 N +ATOM 1210 CA LEU A 144 -4.227 -15.637 -19.654 1.00 10.41 C +ATOM 1211 CB LEU A 144 -3.434 -16.694 -20.373 1.00 9.30 C +ATOM 1212 CG LEU A 144 -3.244 -17.993 -19.619 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -4.554 -18.693 -19.277 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -2.320 -18.886 -20.458 1.00 12.97 C +ATOM 1215 C LEU A 144 -3.642 -15.190 -18.254 1.00 10.09 C +ATOM 1216 O LEU A 144 -4.113 -15.624 -17.197 1.00 9.09 O +ATOM 1217 N ILE A 145 -2.651 -14.296 -18.264 1.00 9.56 N +ATOM 1218 CA ILE A 145 -2.120 -13.727 -17.030 1.00 9.18 C +ATOM 1219 CB ILE A 145 -0.899 -12.811 -17.336 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 0.327 -13.638 -17.742 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 1.454 -12.817 -18.303 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -0.486 -11.987 -16.141 1.00 9.74 C +ATOM 1223 C ILE A 145 -3.228 -12.977 -16.242 1.00 10.93 C +ATOM 1224 O ILE A 145 -3.312 -13.092 -15.021 1.00 9.25 O +ATOM 1225 N TRP A 146 -4.065 -12.209 -16.954 1.00 12.33 N +ATOM 1226 CA TRP A 146 -5.165 -11.463 -16.341 1.00 15.03 C +ATOM 1227 CB TRP A 146 -5.926 -10.645 -17.405 1.00 16.66 C +ATOM 1228 CG TRP A 146 -6.656 -9.479 -16.799 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.021 -9.261 -16.742 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -8.269 -8.080 -16.061 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -7.069 -7.536 -15.674 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -6.043 -8.385 -16.126 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -4.705 -8.038 -15.866 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -4.440 -6.866 -15.164 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -5.488 -6.042 -14.737 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -6.803 -6.364 -14.977 1.00 32.56 C +ATOM 1237 C TRP A 146 -6.123 -12.422 -15.606 1.00 13.29 C +ATOM 1238 O TRP A 146 -6.528 -12.190 -14.466 1.00 11.57 O +ATOM 1239 N ILE A 147 -6.422 -13.539 -16.260 1.00 12.37 N +ATOM 1240 CA ILE A 147 -7.304 -14.563 -15.705 1.00 13.81 C +ATOM 1241 CB ILE A 147 -7.634 -15.622 -16.786 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -8.498 -15.007 -17.903 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -8.600 -15.904 -19.118 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -8.363 -16.803 -16.192 1.00 13.86 C +ATOM 1245 C ILE A 147 -6.669 -15.201 -14.471 1.00 11.85 C +ATOM 1246 O ILE A 147 -7.312 -15.395 -13.473 1.00 11.58 O +ATOM 1247 N VAL A 148 -5.375 -15.519 -14.553 1.00 13.87 N +ATOM 1248 CA VAL A 148 -4.644 -16.047 -13.408 1.00 12.37 C +ATOM 1249 CB VAL A 148 -3.196 -16.394 -13.783 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -2.410 -16.828 -12.555 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -3.177 -17.526 -14.817 1.00 14.45 C +ATOM 1252 C VAL A 148 -4.671 -15.060 -12.224 1.00 12.18 C +ATOM 1253 O VAL A 148 -4.814 -15.468 -11.067 1.00 10.26 O +ATOM 1254 N ALA A 149 -4.504 -13.764 -12.515 1.00 12.37 N +ATOM 1255 CA ALA A 149 -4.485 -12.731 -11.482 1.00 13.92 C +ATOM 1256 CB ALA A 149 -4.332 -11.358 -12.103 1.00 12.52 C +ATOM 1257 C ALA A 149 -5.803 -12.783 -10.692 1.00 19.91 C +ATOM 1258 O ALA A 149 -5.806 -12.798 -9.442 1.00 18.95 O +ATOM 1259 N GLY A 150 -6.904 -12.810 -11.450 1.00 15.29 N +ATOM 1260 CA GLY A 150 -8.256 -12.875 -10.905 1.00 21.90 C +ATOM 1261 C GLY A 150 -8.462 -14.137 -10.087 1.00 21.19 C +ATOM 1262 O GLY A 150 -8.948 -14.061 -8.953 1.00 20.08 O +ATOM 1263 N TRP A 151 -8.021 -15.281 -10.620 1.00 14.25 N +ATOM 1264 CA TRP A 151 -8.285 -16.548 -9.971 1.00 16.10 C +ATOM 1265 CB TRP A 151 -7.849 -17.741 -10.846 1.00 21.32 C +ATOM 1266 CG TRP A 151 -8.320 -19.007 -10.245 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -7.578 -19.968 -9.604 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -8.394 -20.970 -9.142 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -9.698 -20.649 -9.435 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -9.687 -19.411 -10.128 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -10.910 -18.852 -10.556 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -12.084 -19.528 -10.276 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -12.068 -20.764 -9.582 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -10.892 -21.337 -9.155 1.00 47.28 C +ATOM 1275 C TRP A 151 -7.602 -16.632 -8.587 1.00 16.03 C +ATOM 1276 O TRP A 151 -8.180 -17.050 -7.605 1.00 20.42 O +ATOM 1277 N PHE A 152 -6.337 -16.236 -8.530 1.00 13.13 N +ATOM 1278 CA PHE A 152 -5.568 -16.298 -7.331 1.00 9.38 C +ATOM 1279 CB PHE A 152 -4.131 -16.685 -7.684 1.00 8.08 C +ATOM 1280 CG PHE A 152 -3.997 -18.078 -8.166 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -3.984 -19.115 -7.276 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -3.852 -20.424 -7.715 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -3.762 -20.691 -9.073 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -3.811 -19.642 -9.976 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -3.918 -18.345 -9.514 1.00 6.21 C +ATOM 1286 C PHE A 152 -5.635 -14.979 -6.574 1.00 9.61 C +ATOM 1287 O PHE A 152 -4.940 -14.804 -5.640 1.00 10.68 O +ATOM 1288 N ASP A 153 -6.525 -14.074 -6.975 1.00 15.13 N +ATOM 1289 CA ASP A 153 -6.747 -12.808 -6.286 1.00 18.45 C +ATOM 1290 CB ASP A 153 -7.506 -12.931 -4.933 1.00 27.46 C +ATOM 1291 CG ASP A 153 -8.097 -11.538 -4.468 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -8.341 -10.676 -5.365 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -8.270 -11.283 -3.243 1.00 24.69 O +ATOM 1294 C ASP A 153 -5.471 -12.050 -6.061 1.00 15.88 C +ATOM 1295 O ASP A 153 -5.151 -11.663 -4.951 1.00 13.39 O +ATOM 1296 N LEU A 154 -4.760 -11.785 -7.155 1.00 15.14 N +ATOM 1297 CA LEU A 154 -3.514 -11.056 -7.073 1.00 16.65 C +ATOM 1298 CB LEU A 154 -2.612 -11.488 -8.238 1.00 12.61 C +ATOM 1299 CG LEU A 154 -2.263 -12.991 -8.228 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -1.329 -13.348 -9.400 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -1.650 -13.412 -6.917 1.00 8.03 C +ATOM 1302 C LEU A 154 -3.761 -9.533 -6.979 1.00 17.35 C +ATOM 1303 O LEU A 154 -2.843 -8.766 -6.906 1.00 22.93 O +ATOM 1304 N PHE A 155 -5.027 -9.135 -6.885 1.00 24.98 N +ATOM 1305 CA PHE A 155 -5.470 -7.740 -6.884 1.00 33.79 C +ATOM 1306 CB PHE A 155 -6.689 -7.627 -7.772 1.00 27.67 C +ATOM 1307 CG PHE A 155 -6.377 -7.767 -9.235 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -5.379 -6.989 -9.829 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -5.117 -7.087 -11.181 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -5.853 -7.959 -11.966 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -6.850 -8.742 -11.391 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -7.114 -8.641 -10.031 1.00 34.21 C +ATOM 1313 C PHE A 155 -5.867 -7.217 -5.521 1.00 37.83 C +ATOM 1314 O PHE A 155 -5.827 -7.962 -4.538 1.00 28.41 O +ATOM 1315 N GLY A 156 -6.246 -5.927 -5.491 1.00 38.40 N +ATOM 1316 CA GLY A 156 -6.743 -5.242 -4.312 1.00 35.24 C +ATOM 1317 C GLY A 156 -7.885 -5.944 -3.584 1.00 26.60 C +ATOM 1318 O GLY A 156 -7.692 -6.539 -2.549 1.00 47.21 O +ATOM 1319 N MET A 157 -9.090 -5.860 -4.128 1.00 24.95 N +ATOM 1320 CA MET A 157 -10.263 -6.349 -3.437 1.00 28.59 C +ATOM 1321 CB MET A 157 -11.453 -5.410 -3.658 1.00 39.60 C +ATOM 1322 CG MET A 157 -12.231 -5.493 -4.980 1.00 47.28 C +ATOM 1323 SD MET A 157 -13.973 -4.938 -4.761 1.00 49.14 S +ATOM 1324 CE MET A 157 -13.735 -3.291 -4.057 1.00 47.84 C +ATOM 1325 C MET A 157 -10.567 -7.774 -3.852 1.00 26.25 C +ATOM 1326 O MET A 157 -9.877 -8.309 -4.675 1.00 24.50 O +ATOM 1327 N SER A 158 -11.611 -8.377 -3.270 1.00 24.79 N +ATOM 1328 CA SER A 158 -12.082 -9.692 -3.678 1.00 25.23 C +ATOM 1329 CB SER A 158 -13.214 -10.140 -2.787 1.00 32.87 C +ATOM 1330 OG SER A 158 -12.793 -10.084 -1.468 1.00 32.23 O +ATOM 1331 C SER A 158 -12.558 -9.746 -5.137 1.00 23.56 C +ATOM 1332 O SER A 158 -13.095 -8.784 -5.698 1.00 17.24 O +ATOM 1333 N MET A 159 -12.343 -10.901 -5.756 1.00 22.08 N +ATOM 1334 CA MET A 159 -12.718 -11.084 -7.133 1.00 24.12 C +ATOM 1335 CB MET A 159 -11.666 -11.937 -7.868 1.00 30.07 C +ATOM 1336 CG MET A 159 -10.327 -11.232 -8.061 1.00 25.31 C +ATOM 1337 SD MET A 159 -10.370 -9.941 -9.302 1.00 33.07 S +ATOM 1338 CE MET A 159 -10.441 -8.513 -8.200 1.00 33.31 C +ATOM 1339 C MET A 159 -14.078 -11.753 -7.142 1.00 18.37 C +ATOM 1340 O MET A 159 -14.401 -12.579 -6.280 1.00 14.74 O +ATOM 1341 N ALA A 160 -14.892 -11.390 -8.128 1.00 17.85 N +ATOM 1342 CA ALA A 160 -16.168 -12.063 -8.337 1.00 14.05 C +ATOM 1343 CB ALA A 160 -17.110 -11.125 -9.115 1.00 15.78 C +ATOM 1344 C ALA A 160 -15.809 -13.324 -9.119 1.00 12.19 C +ATOM 1345 O ALA A 160 -15.754 -13.298 -10.337 1.00 12.07 O +ATOM 1346 N ASN A 161 -15.521 -14.414 -8.398 1.00 13.53 N +ATOM 1347 CA ASN A 161 -15.058 -15.658 -9.016 1.00 19.51 C +ATOM 1348 CB ASN A 161 -14.528 -16.665 -8.008 1.00 17.89 C +ATOM 1349 CG ASN A 161 -13.295 -16.164 -7.275 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -13.261 -16.174 -6.051 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -12.284 -15.727 -8.010 1.00 23.40 N +ATOM 1352 C ASN A 161 -16.148 -16.328 -9.836 1.00 17.15 C +ATOM 1353 O ASN A 161 -15.869 -16.893 -10.893 1.00 12.86 O +ATOM 1354 N GLY A 162 -17.392 -16.188 -9.377 1.00 13.45 N +ATOM 1355 CA GLY A 162 -18.525 -16.754 -10.078 1.00 13.72 C +ATOM 1356 C GLY A 162 -18.781 -16.015 -11.358 1.00 11.46 C +ATOM 1357 O GLY A 162 -18.979 -16.632 -12.372 1.00 13.83 O +ATOM 1358 N ALA A 163 -18.791 -14.680 -11.304 1.00 12.52 N +ATOM 1359 CA ALA A 163 -18.925 -13.882 -12.512 1.00 12.63 C +ATOM 1360 CB ALA A 163 -18.895 -12.381 -12.225 1.00 14.33 C +ATOM 1361 C ALA A 163 -17.818 -14.238 -13.510 1.00 15.22 C +ATOM 1362 O ALA A 163 -18.060 -14.217 -14.715 1.00 15.81 O +ATOM 1363 N HIS A 164 -16.588 -14.476 -13.023 1.00 16.26 N +ATOM 1364 CA HIS A 164 -15.468 -14.737 -13.942 1.00 13.79 C +ATOM 1365 CB HIS A 164 -14.120 -14.688 -13.243 1.00 13.42 C +ATOM 1366 CG HIS A 164 -13.655 -13.301 -12.946 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -12.754 -13.016 -11.946 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -12.510 -11.720 -11.927 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -13.262 -11.142 -12.844 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -13.988 -12.112 -13.497 1.00 16.05 C +ATOM 1371 C HIS A 164 -15.638 -16.055 -14.678 1.00 15.17 C +ATOM 1372 O HIS A 164 -15.452 -16.110 -15.904 1.00 9.69 O +ATOM 1373 N ILE A 165 -15.983 -17.106 -13.918 1.00 14.29 N +ATOM 1374 CA ILE A 165 -16.095 -18.444 -14.444 1.00 16.34 C +ATOM 1375 CB ILE A 165 -16.367 -19.507 -13.357 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -15.286 -19.530 -12.295 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -15.763 -20.142 -10.977 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -16.426 -20.898 -13.977 1.00 25.23 C +ATOM 1379 C ILE A 165 -17.276 -18.459 -15.421 1.00 13.49 C +ATOM 1380 O ILE A 165 -17.173 -18.978 -16.511 1.00 14.19 O +ATOM 1381 N ALA A 166 -18.401 -17.872 -15.012 1.00 11.61 N +ATOM 1382 CA ALA A 166 -19.587 -17.847 -15.836 1.00 12.97 C +ATOM 1383 CB ALA A 166 -20.725 -17.302 -15.030 1.00 13.37 C +ATOM 1384 C ALA A 166 -19.393 -17.069 -17.182 1.00 12.77 C +ATOM 1385 O ALA A 166 -19.821 -17.522 -18.243 1.00 16.05 O +ATOM 1386 N GLY A 167 -18.704 -15.935 -17.124 1.00 11.83 N +ATOM 1387 CA GLY A 167 -18.468 -15.080 -18.274 1.00 12.25 C +ATOM 1388 C GLY A 167 -17.572 -15.815 -19.252 1.00 16.57 C +ATOM 1389 O GLY A 167 -17.886 -15.913 -20.432 1.00 15.94 O +ATOM 1390 N LEU A 168 -16.481 -16.396 -18.740 1.00 16.37 N +ATOM 1391 CA LEU A 168 -15.550 -17.161 -19.584 1.00 18.66 C +ATOM 1392 CB LEU A 168 -14.395 -17.743 -18.762 1.00 16.91 C +ATOM 1393 CG LEU A 168 -13.295 -18.532 -19.496 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -12.674 -17.710 -20.624 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -12.235 -18.914 -18.477 1.00 18.17 C +ATOM 1396 C LEU A 168 -16.306 -18.303 -20.287 1.00 17.50 C +ATOM 1397 O LEU A 168 -16.173 -18.465 -21.486 1.00 15.54 O +ATOM 1398 N ALA A 169 -17.095 -19.065 -19.514 1.00 15.54 N +ATOM 1399 CA ALA A 169 -17.919 -20.149 -20.029 1.00 19.82 C +ATOM 1400 CB ALA A 169 -18.741 -20.769 -18.908 1.00 20.15 C +ATOM 1401 C ALA A 169 -18.851 -19.703 -21.155 1.00 17.04 C +ATOM 1402 O ALA A 169 -18.967 -20.373 -22.157 1.00 18.40 O +ATOM 1403 N VAL A 170 -19.549 -18.585 -20.943 1.00 16.33 N +ATOM 1404 CA VAL A 170 -20.476 -18.047 -21.933 1.00 15.30 C +ATOM 1405 CB VAL A 170 -21.156 -16.777 -21.399 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 -21.754 -15.942 -22.516 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 -22.234 -17.140 -20.438 1.00 17.75 C +ATOM 1408 C VAL A 170 -19.749 -17.738 -23.264 1.00 12.50 C +ATOM 1409 O VAL A 170 -20.235 -18.076 -24.332 1.00 15.58 O +ATOM 1410 N GLY A 171 -18.588 -17.095 -23.165 1.00 12.65 N +ATOM 1411 CA GLY A 171 -17.770 -16.739 -24.302 1.00 12.55 C +ATOM 1412 C GLY A 171 -17.355 -17.965 -25.110 1.00 12.05 C +ATOM 1413 O GLY A 171 -17.502 -18.021 -26.329 1.00 10.67 O +ATOM 1414 N LEU A 172 -16.791 -18.948 -24.411 1.00 12.60 N +ATOM 1415 CA LEU A 172 -16.343 -20.188 -25.033 1.00 10.75 C +ATOM 1416 CB LEU A 172 -15.728 -21.126 -24.001 1.00 10.43 C +ATOM 1417 CG LEU A 172 -14.402 -20.604 -23.405 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -13.891 -21.583 -22.350 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -13.297 -20.267 -24.398 1.00 9.57 C +ATOM 1420 C LEU A 172 -17.500 -20.878 -25.753 1.00 10.15 C +ATOM 1421 O LEU A 172 -17.354 -21.344 -26.876 1.00 11.39 O +ATOM 1422 N ALA A 173 -18.661 -20.902 -25.100 1.00 11.33 N +ATOM 1423 CA ALA A 173 -19.839 -21.608 -25.573 1.00 11.38 C +ATOM 1424 CB ALA A 173 -20.878 -21.715 -24.445 1.00 11.60 C +ATOM 1425 C ALA A 173 -20.454 -20.953 -26.806 1.00 10.08 C +ATOM 1426 O ALA A 173 -20.920 -21.632 -27.696 1.00 6.75 O +ATOM 1427 N MET A 174 -20.518 -19.618 -26.803 1.00 11.63 N +ATOM 1428 CA MET A 174 -20.998 -18.894 -27.960 1.00 11.25 C +ATOM 1429 CB MET A 174 -21.244 -17.431 -27.629 1.00 12.02 C +ATOM 1430 CG MET A 174 -22.491 -17.213 -26.769 1.00 15.32 C +ATOM 1431 SD MET A 174 -22.652 -15.460 -26.317 1.00 15.04 S +ATOM 1432 CE MET A 174 -23.567 -14.852 -27.762 1.00 12.84 C +ATOM 1433 C MET A 174 -20.051 -19.042 -29.156 1.00 11.07 C +ATOM 1434 O MET A 174 -20.509 -19.108 -30.327 1.00 9.35 O +ATOM 1435 N ALA A 175 -18.741 -19.094 -28.864 1.00 11.79 N +ATOM 1436 CA ALA A 175 -17.715 -19.291 -29.891 1.00 11.52 C +ATOM 1437 CB ALA A 175 -16.307 -19.138 -29.304 1.00 12.52 C +ATOM 1438 C ALA A 175 -17.893 -20.652 -30.563 1.00 10.15 C +ATOM 1439 O ALA A 175 -17.836 -20.754 -31.767 1.00 9.36 O +ATOM 1440 N PHE A 176 -18.119 -21.676 -29.737 1.00 10.78 N +ATOM 1441 CA PHE A 176 -18.413 -23.045 -30.134 1.00 11.72 C +ATOM 1442 CB PHE A 176 -18.642 -23.920 -28.884 1.00 14.22 C +ATOM 1443 CG PHE A 176 -18.909 -25.340 -29.204 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -17.870 -26.236 -29.315 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -18.116 -27.543 -29.660 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -19.408 -27.968 -29.904 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 -20.453 -27.086 -29.800 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 -20.200 -25.775 -29.451 1.00 23.15 C +ATOM 1449 C PHE A 176 -19.637 -23.109 -31.031 1.00 11.73 C +ATOM 1450 O PHE A 176 -19.594 -23.676 -32.137 1.00 11.14 O +ATOM 1451 N VAL A 177 -20.732 -22.514 -30.553 1.00 10.67 N +ATOM 1452 CA VAL A 177 -21.972 -22.474 -31.299 1.00 11.71 C +ATOM 1453 CB VAL A 177 -23.124 -21.816 -30.475 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 -24.351 -21.503 -31.364 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 -23.500 -22.709 -29.270 1.00 16.83 C +ATOM 1456 C VAL A 177 -21.757 -21.749 -32.628 1.00 8.91 C +ATOM 1457 O VAL A 177 -22.110 -22.269 -33.632 1.00 6.73 O +ATOM 1458 N ASP A 178 -21.140 -20.562 -32.602 1.00 9.91 N +ATOM 1459 CA ASP A 178 -20.860 -19.807 -33.830 1.00 10.55 C +ATOM 1460 CB ASP A 178 -20.314 -18.443 -33.541 1.00 9.42 C +ATOM 1461 CG ASP A 178 -21.311 -17.551 -32.848 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 -22.482 -17.969 -32.724 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 -20.942 -16.404 -32.443 1.00 9.20 O +ATOM 1464 C ASP A 178 -19.914 -20.516 -34.810 1.00 11.79 C +ATOM 1465 O ASP A 178 -19.980 -20.263 -36.008 1.00 11.79 O +ATOM 1466 N SER A 179 -19.083 -21.427 -34.293 1.00 15.85 N +ATOM 1467 CA SER A 179 -18.131 -22.198 -35.089 1.00 17.77 C +ATOM 1468 CB SER A 179 -17.040 -22.742 -34.190 1.00 18.19 C +ATOM 1469 OG SER A 179 -16.232 -21.704 -33.711 1.00 25.24 O +ATOM 1470 C SER A 179 -18.751 -23.394 -35.791 1.00 25.25 C +ATOM 1471 O SER A 179 -18.105 -24.032 -36.648 1.00 25.62 O +ATOM 1472 N LEU A 180 -19.975 -23.760 -35.399 1.00 26.63 N +ATOM 1473 CA LEU A 180 -20.624 -24.883 -36.046 1.00 29.49 C +ATOM 1474 CB LEU A 180 -21.762 -25.421 -35.188 1.00 27.08 C +ATOM 1475 CG LEU A 180 -21.310 -26.146 -33.923 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 -22.537 -26.576 -33.144 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 -20.447 -27.352 -34.239 1.00 25.61 C +ATOM 1478 C LEU A 180 -21.059 -24.472 -37.466 1.00 36.61 C +ATOM 1479 O LEU A 180 -20.985 -25.292 -38.408 1.00 32.04 O +ATOM 1480 N ASN A 181 -21.451 -23.195 -37.611 1.00 38.78 N +ATOM 1481 CA ASN A 181 -21.787 -22.589 -38.906 1.00 54.97 C +ATOM 1482 CB ASN A 181 -22.483 -21.225 -38.728 1.00 67.37 C +ATOM 1483 CG ASN A 181 -23.631 -21.253 -37.711 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 -24.784 -21.543 -38.050 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 -23.319 -20.910 -36.463 1.00 60.66 N +ATOM 1486 C ASN A 181 -20.538 -22.395 -39.803 1.00 76.54 C +ATOM 1487 O ASN A 181 -19.536 -21.785 -39.371 1.00 63.45 O +ATOM 1488 N ALA A 182 -20.624 -22.914 -41.042 1.00 63.44 N +ATOM 1489 CA ALA A 182 -19.555 -22.886 -42.054 1.00 54.25 C +ATOM 1490 CB ALA A 182 -19.493 -21.529 -42.745 1.00 52.80 C +ATOM 1491 C ALA A 182 -18.185 -23.263 -41.489 1.00 57.61 C +ATOM 1492 O ALA A 182 -18.081 -24.122 -40.612 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/input/input.pdb new file mode 100644 index 0000000..71ab784 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/input/input.pdb @@ -0,0 +1,1451 @@ +ATOM 1 N GLU A 1 -11.028 5.746 -37.310 1.00 43.35 N +ATOM 2 CA GLU A 1 -11.660 5.231 -36.061 1.00 55.59 C +ATOM 3 CB GLU A 1 -13.172 5.420 -36.133 1.00 53.53 C +ATOM 4 CG GLU A 1 -13.853 5.660 -34.801 1.00 34.05 C +ATOM 5 CD GLU A 1 -15.306 5.943 -35.034 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -16.062 4.963 -35.143 1.00 53.50 O +ATOM 7 OE2 GLU A 1 -15.691 7.128 -35.157 1.00 36.54 O +ATOM 8 C GLU A 1 -11.305 3.763 -35.795 1.00 46.53 C +ATOM 9 O GLU A 1 -10.191 3.336 -36.122 1.00 50.24 O +ATOM 10 N ARG A 2 -12.259 3.014 -35.221 1.00 38.93 N +ATOM 11 CA ARG A 2 -12.030 1.706 -34.590 1.00 54.74 C +ATOM 12 CB ARG A 2 -10.826 1.774 -33.603 1.00 50.45 C +ATOM 13 CG ARG A 2 -10.786 0.769 -32.445 1.00 57.12 C +ATOM 14 CD ARG A 2 -9.796 -0.375 -32.638 1.00 57.44 C +ATOM 15 NE ARG A 2 -10.273 -1.652 -32.072 1.00 52.68 N +ATOM 16 CZ ARG A 2 -9.692 -2.835 -32.301 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -8.591 -2.930 -33.062 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -10.191 -3.936 -31.764 1.00 28.66 N +ATOM 19 C ARG A 2 -13.339 1.255 -33.902 1.00 66.99 C +ATOM 20 O ARG A 2 -13.984 0.312 -34.361 1.00 85.13 O +ATOM 21 N ALA A 3 -13.720 1.949 -32.818 1.00 43.05 N +ATOM 22 CA ALA A 3 -14.920 1.643 -32.019 1.00 41.35 C +ATOM 23 CB ALA A 3 -14.865 2.391 -30.663 1.00 34.83 C +ATOM 24 C ALA A 3 -16.260 1.980 -32.735 1.00 29.58 C +ATOM 25 O ALA A 3 -16.581 3.165 -32.922 1.00 21.07 O +ATOM 26 N GLY A 4 -17.031 0.942 -33.099 1.00 20.97 N +ATOM 27 CA GLY A 4 -18.424 1.093 -33.472 1.00 16.58 C +ATOM 28 C GLY A 4 -19.279 1.634 -32.320 1.00 18.06 C +ATOM 29 O GLY A 4 -18.819 1.789 -31.180 1.00 16.28 O +ATOM 30 N PRO A 5 -20.584 1.890 -32.564 1.00 12.89 N +ATOM 31 CA PRO A 5 -21.440 2.520 -31.556 1.00 10.80 C +ATOM 32 CB PRO A 5 -22.793 2.697 -32.298 1.00 10.45 C +ATOM 33 CG PRO A 5 -22.723 1.727 -33.430 1.00 9.74 C +ATOM 34 CD PRO A 5 -21.288 1.576 -33.817 1.00 10.46 C +ATOM 35 C PRO A 5 -21.631 1.713 -30.297 1.00 11.27 C +ATOM 36 O PRO A 5 -21.805 2.300 -29.242 1.00 13.59 O +ATOM 37 N VAL A 6 -21.670 0.382 -30.393 1.00 9.93 N +ATOM 38 CA VAL A 6 -21.903 -0.402 -29.192 1.00 12.26 C +ATOM 39 CB VAL A 6 -22.267 -1.859 -29.504 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -22.352 -2.680 -28.221 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -23.582 -1.919 -30.282 1.00 17.43 C +ATOM 42 C VAL A 6 -20.649 -0.346 -28.331 1.00 10.99 C +ATOM 43 O VAL A 6 -20.721 -0.092 -27.128 1.00 8.01 O +ATOM 44 N THR A 7 -19.486 -0.556 -28.961 1.00 10.58 N +ATOM 45 CA THR A 7 -18.211 -0.402 -28.243 1.00 12.65 C +ATOM 46 CB THR A 7 -17.023 -0.546 -29.178 1.00 11.06 C +ATOM 47 OG1 THR A 7 -17.079 -1.854 -29.799 1.00 10.95 O +ATOM 48 CG2 THR A 7 -15.753 -0.391 -28.343 1.00 11.91 C +ATOM 49 C THR A 7 -18.123 0.932 -27.492 1.00 13.19 C +ATOM 50 O THR A 7 -17.774 0.984 -26.324 1.00 10.71 O +ATOM 51 N TRP A 8 -18.537 1.997 -28.185 1.00 13.70 N +ATOM 52 CA TRP A 8 -18.462 3.365 -27.698 1.00 14.00 C +ATOM 53 CB TRP A 8 -18.728 4.260 -28.886 1.00 11.57 C +ATOM 54 CG TRP A 8 -18.831 5.682 -28.664 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -19.861 6.478 -29.057 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -19.600 7.775 -28.773 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -18.374 7.857 -28.171 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -17.856 6.547 -28.098 1.00 20.29 C +ATOM 59 CE3 TRP A 8 -16.598 6.351 -27.535 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 -15.912 7.458 -27.032 1.00 29.87 C +ATOM 61 CH2 TRP A 8 -16.450 8.761 -27.127 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -17.674 8.981 -27.690 1.00 23.41 C +ATOM 63 C TRP A 8 -19.452 3.650 -26.576 1.00 11.19 C +ATOM 64 O TRP A 8 -19.106 4.243 -25.566 1.00 9.21 O +ATOM 65 N VAL A 9 -20.707 3.268 -26.783 1.00 10.48 N +ATOM 66 CA VAL A 9 -21.727 3.611 -25.837 1.00 13.92 C +ATOM 67 CB VAL A 9 -23.153 3.397 -26.386 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -24.179 3.428 -25.261 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -23.471 4.477 -27.383 1.00 20.11 C +ATOM 70 C VAL A 9 -21.470 2.915 -24.494 1.00 10.13 C +ATOM 71 O VAL A 9 -21.661 3.499 -23.473 1.00 7.20 O +ATOM 72 N MET A 10 -20.985 1.675 -24.521 1.00 10.15 N +ATOM 73 CA MET A 10 -20.664 0.997 -23.282 1.00 11.00 C +ATOM 74 CB MET A 10 -20.223 -0.414 -23.620 1.00 14.36 C +ATOM 75 CG MET A 10 -19.564 -1.170 -22.469 1.00 16.11 C +ATOM 76 SD MET A 10 -20.725 -1.497 -21.127 1.00 21.05 S +ATOM 77 CE MET A 10 -21.787 -2.724 -21.857 1.00 21.21 C +ATOM 78 C MET A 10 -19.540 1.742 -22.498 1.00 13.64 C +ATOM 79 O MET A 10 -19.565 1.770 -21.251 1.00 12.82 O +ATOM 80 N MET A 11 -18.522 2.247 -23.230 1.00 12.90 N +ATOM 81 CA MET A 11 -17.381 3.008 -22.650 1.00 14.44 C +ATOM 82 CB MET A 11 -16.332 3.335 -23.723 1.00 12.49 C +ATOM 83 CG MET A 11 -15.542 2.102 -24.136 1.00 14.38 C +ATOM 84 SD MET A 11 -14.409 2.240 -25.555 1.00 14.01 S +ATOM 85 CE MET A 11 -12.914 2.769 -24.707 1.00 15.48 C +ATOM 86 C MET A 11 -17.889 4.290 -21.992 1.00 13.69 C +ATOM 87 O MET A 11 -17.627 4.550 -20.827 1.00 13.74 O +ATOM 88 N ILE A 12 -18.663 5.057 -22.754 1.00 12.10 N +ATOM 89 CA ILE A 12 -19.306 6.246 -22.251 1.00 17.28 C +ATOM 90 CB ILE A 12 -20.241 6.822 -23.333 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -19.417 7.511 -24.389 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -20.238 7.899 -25.620 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -21.257 7.787 -22.733 1.00 23.33 C +ATOM 94 C ILE A 12 -20.109 5.934 -20.974 1.00 13.47 C +ATOM 95 O ILE A 12 -19.965 6.585 -19.940 1.00 14.37 O +ATOM 96 N ALA A 13 -20.958 4.911 -21.062 1.00 14.13 N +ATOM 97 CA ALA A 13 -21.818 4.508 -19.973 1.00 11.62 C +ATOM 98 CB ALA A 13 -22.698 3.371 -20.385 1.00 10.69 C +ATOM 99 C ALA A 13 -21.034 4.140 -18.716 1.00 13.08 C +ATOM 100 O ALA A 13 -21.401 4.557 -17.642 1.00 14.09 O +ATOM 101 N CYS A 14 -19.943 3.376 -18.869 1.00 12.24 N +ATOM 102 CA CYS A 14 -19.097 3.010 -17.727 1.00 14.03 C +ATOM 103 CB CYS A 14 -18.038 1.968 -18.160 1.00 12.92 C +ATOM 104 SG CYS A 14 -18.730 0.330 -18.396 1.00 12.25 S +ATOM 105 C CYS A 14 -18.395 4.238 -17.073 1.00 12.57 C +ATOM 106 O CYS A 14 -18.242 4.318 -15.843 1.00 9.48 O +ATOM 107 N VAL A 15 -17.987 5.190 -17.915 1.00 9.94 N +ATOM 108 CA VAL A 15 -17.331 6.370 -17.427 1.00 11.41 C +ATOM 109 CB VAL A 15 -16.645 7.124 -18.546 1.00 11.06 C +ATOM 110 CG1 VAL A 15 -16.127 8.433 -17.995 1.00 10.96 C +ATOM 111 CG2 VAL A 15 -15.492 6.259 -19.116 1.00 10.71 C +ATOM 112 C VAL A 15 -18.313 7.252 -16.655 1.00 13.34 C +ATOM 113 O VAL A 15 -18.021 7.700 -15.533 1.00 9.03 O +ATOM 114 N VAL A 16 -19.489 7.467 -17.243 1.00 13.58 N +ATOM 115 CA VAL A 16 -20.539 8.254 -16.575 1.00 18.01 C +ATOM 116 CB VAL A 16 -21.782 8.415 -17.479 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -22.943 8.990 -16.709 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -21.474 9.349 -18.628 1.00 15.20 C +ATOM 119 C VAL A 16 -20.907 7.633 -15.207 1.00 12.72 C +ATOM 120 O VAL A 16 -21.034 8.339 -14.222 1.00 10.60 O +ATOM 121 N VAL A 17 -21.093 6.309 -15.174 1.00 11.76 N +ATOM 122 CA VAL A 17 -21.417 5.647 -13.943 1.00 11.25 C +ATOM 123 CB VAL A 17 -21.792 4.185 -14.137 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -21.991 3.501 -12.758 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -23.072 4.076 -14.958 1.00 13.31 C +ATOM 126 C VAL A 17 -20.270 5.796 -12.905 1.00 10.41 C +ATOM 127 O VAL A 17 -20.516 6.054 -11.747 1.00 7.15 O +ATOM 128 N PHE A 18 -19.023 5.680 -13.368 1.00 9.81 N +ATOM 129 CA PHE A 18 -17.865 5.812 -12.502 1.00 8.70 C +ATOM 130 CB PHE A 18 -16.596 5.523 -13.320 1.00 9.07 C +ATOM 131 CG PHE A 18 -15.357 5.360 -12.473 1.00 9.17 C +ATOM 132 CD1 PHE A 18 -15.208 4.245 -11.642 1.00 9.97 C +ATOM 133 CE1 PHE A 18 -14.067 4.083 -10.869 1.00 11.77 C +ATOM 134 CZ PHE A 18 -13.077 5.039 -10.897 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -13.223 6.141 -11.730 1.00 12.88 C +ATOM 136 CD2 PHE A 18 -14.374 6.284 -12.509 1.00 9.87 C +ATOM 137 C PHE A 18 -17.806 7.196 -11.854 1.00 8.93 C +ATOM 138 O PHE A 18 -17.469 7.344 -10.677 1.00 9.10 O +ATOM 139 N ILE A 19 -18.101 8.232 -12.649 1.00 8.90 N +ATOM 140 CA ILE A 19 -18.159 9.587 -12.175 1.00 8.28 C +ATOM 141 CB ILE A 19 -18.435 10.553 -13.328 1.00 9.07 C +ATOM 142 CG1 ILE A 19 -17.195 10.650 -14.216 1.00 8.90 C +ATOM 143 CD1 ILE A 19 -17.381 11.547 -15.426 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -18.762 11.939 -12.794 1.00 9.09 C +ATOM 145 C ILE A 19 -19.238 9.749 -11.090 1.00 8.37 C +ATOM 146 O ILE A 19 -18.994 10.331 -10.007 1.00 7.02 O +ATOM 147 N ALA A 20 -20.427 9.220 -11.378 1.00 8.61 N +ATOM 148 CA ALA A 20 -21.519 9.247 -10.437 1.00 8.46 C +ATOM 149 CB ALA A 20 -22.711 8.516 -11.008 1.00 6.88 C +ATOM 150 C ALA A 20 -21.076 8.579 -9.111 1.00 9.83 C +ATOM 151 O ALA A 20 -21.442 9.044 -8.011 1.00 10.17 O +ATOM 152 N MET A 21 -20.339 7.460 -9.226 1.00 8.36 N +ATOM 153 CA MET A 21 -19.876 6.735 -8.085 1.00 7.84 C +ATOM 154 CB MET A 21 -19.253 5.396 -8.512 1.00 10.18 C +ATOM 155 CG MET A 21 -20.228 4.416 -9.109 1.00 9.75 C +ATOM 156 SD MET A 21 -19.506 2.866 -9.692 1.00 11.62 S +ATOM 157 CE MET A 21 -19.216 2.099 -8.089 1.00 11.65 C +ATOM 158 C MET A 21 -18.891 7.594 -7.289 1.00 8.45 C +ATOM 159 O MET A 21 -18.877 7.545 -6.054 1.00 9.99 O +ATOM 160 N GLN A 22 -18.068 8.406 -7.967 1.00 8.76 N +ATOM 161 CA GLN A 22 -17.092 9.267 -7.216 1.00 8.75 C +ATOM 162 CB GLN A 22 -15.963 9.856 -8.094 1.00 8.72 C +ATOM 163 CG GLN A 22 -15.186 8.869 -8.976 1.00 13.04 C +ATOM 164 CD GLN A 22 -14.890 7.522 -8.300 1.00 12.79 C +ATOM 165 OE1 GLN A 22 -14.155 7.480 -7.319 1.00 11.44 O +ATOM 166 NE2 GLN A 22 -15.478 6.427 -8.817 1.00 13.13 N +ATOM 167 C GLN A 22 -17.777 10.424 -6.464 1.00 8.93 C +ATOM 168 O GLN A 22 -17.309 10.854 -5.442 1.00 9.72 O +ATOM 169 N ILE A 23 -18.868 10.949 -7.016 1.00 8.82 N +ATOM 170 CA ILE A 23 -19.588 12.065 -6.435 1.00 8.84 C +ATOM 171 CB ILE A 23 -20.514 12.713 -7.501 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -19.681 13.332 -8.648 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -20.513 13.636 -9.886 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -21.428 13.761 -6.878 1.00 8.45 C +ATOM 175 C ILE A 23 -20.459 11.573 -5.287 1.00 8.69 C +ATOM 176 O ILE A 23 -20.423 12.087 -4.190 1.00 8.45 O +ATOM 177 N LEU A 24 -21.273 10.558 -5.576 1.00 9.04 N +ATOM 178 CA LEU A 24 -22.298 10.047 -4.672 1.00 9.19 C +ATOM 179 CB LEU A 24 -23.412 9.485 -5.527 1.00 9.90 C +ATOM 180 CG LEU A 24 -24.189 10.446 -6.432 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -25.287 9.691 -7.192 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -24.768 11.600 -5.601 1.00 13.72 C +ATOM 183 C LEU A 24 -21.794 8.934 -3.706 1.00 10.54 C +ATOM 184 O LEU A 24 -22.457 8.625 -2.690 1.00 10.70 O +ATOM 185 N GLY A 25 -20.642 8.324 -4.047 1.00 9.22 N +ATOM 186 CA GLY A 25 -20.122 7.175 -3.339 1.00 8.44 C +ATOM 187 C GLY A 25 -20.647 5.920 -4.015 1.00 7.11 C +ATOM 188 O GLY A 25 -21.712 5.896 -4.632 1.00 8.08 O +ATOM 189 N ASP A 26 -19.851 4.861 -3.954 1.00 7.41 N +ATOM 190 CA ASP A 26 -20.210 3.567 -4.547 1.00 8.57 C +ATOM 191 CB ASP A 26 -19.143 2.543 -4.199 1.00 8.77 C +ATOM 192 CG ASP A 26 -17.789 2.832 -4.875 1.00 11.15 C +ATOM 193 OD1 ASP A 26 -17.660 3.828 -5.668 1.00 9.80 O +ATOM 194 OD2 ASP A 26 -16.844 2.069 -4.550 1.00 13.47 O +ATOM 195 C ASP A 26 -21.564 2.994 -4.109 1.00 8.19 C +ATOM 196 O ASP A 26 -22.330 2.485 -4.923 1.00 7.73 O +ATOM 197 N AGLN A 27 -21.860 3.088 -2.810 0.57 9.65 N +ATOM 199 CA AGLN A 27 -23.002 2.356 -2.268 0.57 10.93 C +ATOM 201 CB AGLN A 27 -22.862 1.994 -0.758 0.57 12.23 C +ATOM 203 CG AGLN A 27 -22.007 2.844 0.196 0.57 14.65 C +ATOM 205 CD AGLN A 27 -20.578 3.163 -0.253 0.57 13.37 C +ATOM 207 OE1AGLN A 27 -20.253 4.311 -0.459 0.57 10.98 O +ATOM 209 NE2AGLN A 27 -19.731 2.148 -0.390 0.57 18.13 N +ATOM 211 C AGLN A 27 -24.357 3.011 -2.667 0.57 10.39 C +ATOM 213 O AGLN A 27 -25.355 2.320 -2.836 0.57 8.26 O +ATOM 215 N GLU A 28 -24.363 4.337 -2.854 1.00 9.56 N +ATOM 216 CA GLU A 28 -25.536 5.051 -3.402 1.00 8.86 C +ATOM 217 CB GLU A 28 -25.319 6.553 -3.370 1.00 10.52 C +ATOM 218 CG GLU A 28 -26.465 7.373 -3.933 1.00 12.28 C +ATOM 219 CD GLU A 28 -27.768 7.144 -3.214 1.00 13.68 C +ATOM 220 OE1 GLU A 28 -27.776 6.862 -2.004 1.00 16.22 O +ATOM 221 OE2 GLU A 28 -28.797 7.252 -3.867 1.00 18.20 O +ATOM 222 C GLU A 28 -25.809 4.624 -4.832 1.00 7.50 C +ATOM 223 O GLU A 28 -26.946 4.480 -5.205 1.00 6.97 O +ATOM 224 N VAL A 29 -24.760 4.395 -5.624 1.00 7.10 N +ATOM 225 CA VAL A 29 -24.926 3.933 -6.988 1.00 7.74 C +ATOM 226 CB VAL A 29 -23.744 4.252 -7.934 1.00 7.94 C +ATOM 227 CG1 VAL A 29 -24.038 3.769 -9.369 1.00 8.07 C +ATOM 228 CG2 VAL A 29 -23.492 5.764 -7.993 1.00 8.53 C +ATOM 229 C VAL A 29 -25.325 2.450 -7.044 1.00 9.26 C +ATOM 230 O VAL A 29 -26.220 2.088 -7.812 1.00 11.33 O +ATOM 231 N MET A 30 -24.680 1.592 -6.254 1.00 10.79 N +ATOM 232 CA MET A 30 -25.169 0.203 -6.050 1.00 11.74 C +ATOM 233 CB MET A 30 -24.438 -0.479 -4.894 1.00 14.27 C +ATOM 234 CG MET A 30 -22.888 -0.677 -5.047 1.00 15.81 C +ATOM 235 SD MET A 30 -22.547 -2.371 -5.486 1.00 33.08 S +ATOM 236 CE MET A 30 -22.934 -2.160 -7.175 1.00 20.74 C +ATOM 237 C MET A 30 -26.697 0.167 -5.770 1.00 14.59 C +ATOM 238 O MET A 30 -27.444 -0.660 -6.368 1.00 12.77 O +ATOM 239 N LEU A 31 -27.184 1.070 -4.905 1.00 14.76 N +ATOM 240 CA LEU A 31 -28.628 1.126 -4.598 1.00 15.82 C +ATOM 241 CB LEU A 31 -29.024 2.350 -3.820 1.00 17.44 C +ATOM 242 CG LEU A 31 -28.803 2.421 -2.335 1.00 16.70 C +ATOM 243 CD1 LEU A 31 -29.737 3.519 -1.858 1.00 17.12 C +ATOM 244 CD2 LEU A 31 -29.092 1.116 -1.618 1.00 21.43 C +ATOM 245 C LEU A 31 -29.503 1.152 -5.829 1.00 14.45 C +ATOM 246 O LEU A 31 -30.577 0.548 -5.855 1.00 13.84 O +ATOM 247 N TRP A 32 -29.057 1.872 -6.850 1.00 12.40 N +ATOM 248 CA TRP A 32 -29.824 2.011 -8.082 1.00 14.56 C +ATOM 249 CB TRP A 32 -29.601 3.405 -8.719 1.00 18.78 C +ATOM 250 CG TRP A 32 -30.488 4.439 -8.053 1.00 32.68 C +ATOM 251 CD1 TRP A 32 -30.365 4.916 -6.776 1.00 39.08 C +ATOM 252 NE1 TRP A 32 -31.374 5.801 -6.500 1.00 42.94 N +ATOM 253 CE2 TRP A 32 -32.185 5.912 -7.598 1.00 50.90 C +ATOM 254 CD2 TRP A 32 -31.666 5.052 -8.596 1.00 45.18 C +ATOM 255 CE3 TRP A 32 -32.321 4.981 -9.838 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 -33.462 5.771 -10.041 1.00 57.42 C +ATOM 257 CH2 TRP A 32 -33.951 6.621 -9.023 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 -33.333 6.703 -7.803 1.00 59.24 C +ATOM 259 C TRP A 32 -29.563 0.914 -9.078 1.00 14.53 C +ATOM 260 O TRP A 32 -30.485 0.473 -9.750 1.00 15.15 O +ATOM 261 N LEU A 33 -28.296 0.494 -9.201 1.00 14.48 N +ATOM 262 CA LEU A 33 -27.879 -0.338 -10.340 1.00 13.03 C +ATOM 263 CB LEU A 33 -26.730 0.318 -11.054 1.00 11.82 C +ATOM 264 CG LEU A 33 -26.990 1.694 -11.666 1.00 15.06 C +ATOM 265 CD1 LEU A 33 -25.711 2.167 -12.338 1.00 16.02 C +ATOM 266 CD2 LEU A 33 -28.114 1.655 -12.676 1.00 17.26 C +ATOM 267 C LEU A 33 -27.483 -1.763 -10.008 1.00 12.50 C +ATOM 268 O LEU A 33 -27.185 -2.522 -10.903 1.00 14.24 O +ATOM 269 N ALA A 34 -27.378 -2.102 -8.722 1.00 11.25 N +ATOM 270 CA ALA A 34 -26.895 -3.423 -8.345 1.00 14.07 C +ATOM 271 CB ALA A 34 -26.512 -3.490 -6.881 1.00 12.90 C +ATOM 272 C ALA A 34 -27.969 -4.469 -8.661 1.00 10.89 C +ATOM 273 O ALA A 34 -29.153 -4.155 -8.719 1.00 9.58 O +ATOM 274 N TRP A 35 -27.523 -5.695 -8.889 1.00 9.03 N +ATOM 275 CA TRP A 35 -28.402 -6.866 -8.849 1.00 10.73 C +ATOM 276 CB TRP A 35 -27.527 -8.121 -8.712 1.00 8.48 C +ATOM 277 CG TRP A 35 -28.290 -9.422 -8.958 1.00 8.22 C +ATOM 278 CD1 TRP A 35 -29.048 -10.093 -8.055 1.00 7.83 C +ATOM 279 NE1 TRP A 35 -29.526 -11.215 -8.605 1.00 7.62 N +ATOM 280 CE2 TRP A 35 -29.134 -11.278 -9.916 1.00 7.64 C +ATOM 281 CD2 TRP A 35 -28.329 -10.178 -10.158 1.00 7.37 C +ATOM 282 CE3 TRP A 35 -27.770 -10.012 -11.440 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 -28.038 -10.986 -12.428 1.00 7.84 C +ATOM 284 CH2 TRP A 35 -28.820 -12.094 -12.131 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 -29.398 -12.254 -10.896 1.00 7.63 C +ATOM 286 C TRP A 35 -29.370 -6.786 -7.670 1.00 11.27 C +ATOM 287 O TRP A 35 -28.975 -6.401 -6.579 1.00 9.35 O +ATOM 288 N PRO A 36 -30.660 -7.172 -7.813 1.00 12.00 N +ATOM 289 CA PRO A 36 -31.622 -6.974 -6.730 1.00 11.46 C +ATOM 290 CB PRO A 36 -32.859 -7.678 -7.226 1.00 11.66 C +ATOM 291 CG PRO A 36 -32.707 -7.696 -8.706 1.00 13.54 C +ATOM 292 CD PRO A 36 -31.262 -7.773 -9.010 1.00 13.31 C +ATOM 293 C PRO A 36 -31.130 -7.578 -5.443 1.00 11.59 C +ATOM 294 O PRO A 36 -30.826 -8.759 -5.385 1.00 10.46 O +ATOM 295 N PHE A 37 -31.050 -6.751 -4.404 1.00 13.56 N +ATOM 296 CA PHE A 37 -30.533 -7.193 -3.115 1.00 14.55 C +ATOM 297 CB PHE A 37 -29.421 -6.249 -2.610 1.00 13.96 C +ATOM 298 CG PHE A 37 -29.737 -4.803 -2.785 1.00 11.55 C +ATOM 299 CD2 PHE A 37 -29.331 -4.127 -3.908 1.00 12.09 C +ATOM 300 CE2 PHE A 37 -29.672 -2.788 -4.098 1.00 11.27 C +ATOM 301 CZ PHE A 37 -30.374 -2.126 -3.132 1.00 11.14 C +ATOM 302 CE1 PHE A 37 -30.777 -2.798 -1.991 1.00 11.63 C +ATOM 303 CD1 PHE A 37 -30.473 -4.128 -1.833 1.00 12.46 C +ATOM 304 C PHE A 37 -31.668 -7.288 -2.133 1.00 13.37 C +ATOM 305 O PHE A 37 -31.471 -7.613 -0.993 1.00 14.81 O +ATOM 306 N ASP A 38 -32.881 -7.041 -2.611 1.00 17.05 N +ATOM 307 CA ASP A 38 -34.105 -7.173 -1.823 1.00 19.15 C +ATOM 308 CB ASP A 38 -34.521 -5.798 -1.325 1.00 20.34 C +ATOM 309 CG ASP A 38 -35.502 -5.877 -0.192 1.00 30.28 C +ATOM 310 OD1 ASP A 38 -35.165 -6.540 0.805 1.00 44.07 O +ATOM 311 OD2 ASP A 38 -36.610 -5.312 -0.298 1.00 34.29 O +ATOM 312 C ASP A 38 -35.190 -7.717 -2.747 1.00 15.90 C +ATOM 313 O ASP A 38 -35.229 -7.330 -3.916 1.00 16.79 O +ATOM 314 N PRO A 39 -36.134 -8.566 -2.261 1.00 20.32 N +ATOM 315 CA PRO A 39 -37.220 -9.073 -3.115 1.00 16.16 C +ATOM 316 CB PRO A 39 -38.126 -9.843 -2.149 1.00 15.98 C +ATOM 317 CG PRO A 39 -37.316 -10.062 -0.921 1.00 18.68 C +ATOM 318 CD PRO A 39 -36.207 -9.068 -0.873 1.00 17.52 C +ATOM 319 C PRO A 39 -38.044 -7.988 -3.774 1.00 16.16 C +ATOM 320 O PRO A 39 -38.499 -8.160 -4.903 1.00 21.77 O +ATOM 321 N THR A 40 -38.227 -6.862 -3.084 1.00 11.59 N +ATOM 322 CA THR A 40 -38.961 -5.770 -3.649 1.00 10.55 C +ATOM 323 CB THR A 40 -39.182 -4.681 -2.612 1.00 11.60 C +ATOM 324 OG1 THR A 40 -37.916 -4.212 -2.177 1.00 18.55 O +ATOM 325 CG2 THR A 40 -39.913 -5.200 -1.396 1.00 10.47 C +ATOM 326 C THR A 40 -38.307 -5.161 -4.913 1.00 12.17 C +ATOM 327 O THR A 40 -38.940 -4.355 -5.589 1.00 13.12 O +ATOM 328 N LEU A 41 -37.050 -5.525 -5.218 1.00 10.51 N +ATOM 329 CA LEU A 41 -36.331 -4.967 -6.367 1.00 11.95 C +ATOM 330 CB LEU A 41 -34.887 -4.568 -5.984 1.00 14.91 C +ATOM 331 CG LEU A 41 -34.749 -3.686 -4.690 1.00 17.34 C +ATOM 332 CD1 LEU A 41 -33.319 -3.312 -4.341 1.00 16.53 C +ATOM 333 CD2 LEU A 41 -35.579 -2.415 -4.783 1.00 15.46 C +ATOM 334 C LEU A 41 -36.330 -5.924 -7.558 1.00 12.84 C +ATOM 335 O LEU A 41 -35.772 -5.620 -8.617 1.00 11.38 O +ATOM 336 N LYS A 42 -36.970 -7.086 -7.372 1.00 12.67 N +ATOM 337 CA LYS A 42 -36.919 -8.166 -8.323 1.00 13.81 C +ATOM 338 CB LYS A 42 -37.632 -9.391 -7.748 1.00 16.24 C +ATOM 339 CG LYS A 42 -39.153 -9.260 -7.618 1.00 22.83 C +ATOM 340 CD LYS A 42 -39.754 -10.297 -6.648 1.00 21.04 C +ATOM 341 CE LYS A 42 -41.016 -9.785 -5.959 1.00 23.94 C +ATOM 342 NZ LYS A 42 -41.210 -10.441 -4.621 1.00 32.66 N +ATOM 343 C LYS A 42 -37.494 -7.740 -9.676 1.00 15.51 C +ATOM 344 O LYS A 42 -37.037 -8.228 -10.720 1.00 11.66 O +ATOM 345 N PHE A 43 -38.450 -6.795 -9.666 1.00 17.22 N +ATOM 346 CA PHE A 43 -39.059 -6.320 -10.917 1.00 20.93 C +ATOM 347 CB PHE A 43 -40.504 -5.935 -10.651 1.00 22.33 C +ATOM 348 CG PHE A 43 -41.324 -7.042 -10.025 1.00 20.58 C +ATOM 349 CD1 PHE A 43 -41.631 -8.188 -10.751 1.00 20.68 C +ATOM 350 CE1 PHE A 43 -42.398 -9.206 -10.203 1.00 24.15 C +ATOM 351 CZ PHE A 43 -42.872 -9.088 -8.902 1.00 26.39 C +ATOM 352 CE2 PHE A 43 -42.584 -7.939 -8.163 1.00 32.87 C +ATOM 353 CD2 PHE A 43 -41.801 -6.928 -8.723 1.00 28.63 C +ATOM 354 C PHE A 43 -38.305 -5.215 -11.694 1.00 27.18 C +ATOM 355 O PHE A 43 -38.629 -4.937 -12.862 1.00 25.90 O +ATOM 356 N GLU A 44 -37.260 -4.656 -11.067 1.00 22.49 N +ATOM 357 CA GLU A 44 -36.445 -3.586 -11.638 1.00 15.89 C +ATOM 358 CB GLU A 44 -35.821 -2.774 -10.503 1.00 15.72 C +ATOM 359 CG GLU A 44 -36.891 -2.035 -9.714 1.00 15.25 C +ATOM 360 CD GLU A 44 -36.398 -1.189 -8.536 1.00 21.01 C +ATOM 361 OE1 GLU A 44 -35.187 -1.043 -8.266 1.00 16.50 O +ATOM 362 OE2 GLU A 44 -37.266 -0.655 -7.815 1.00 23.93 O +ATOM 363 C GLU A 44 -35.432 -4.222 -12.598 1.00 16.81 C +ATOM 364 O GLU A 44 -34.252 -4.460 -12.245 1.00 11.81 O +ATOM 365 N APHE A 45 -35.914 -4.427 -13.837 0.46 16.82 N +ATOM 367 CA APHE A 45 -35.322 -5.282 -14.882 0.46 19.36 C +ATOM 369 CB APHE A 45 -36.190 -5.301 -16.195 0.46 23.18 C +ATOM 371 CG APHE A 45 -36.379 -3.936 -16.868 0.46 30.12 C +ATOM 373 CD1APHE A 45 -37.394 -3.069 -16.465 0.46 31.35 C +ATOM 375 CE1APHE A 45 -37.566 -1.836 -17.080 0.46 34.10 C +ATOM 377 CZ APHE A 45 -36.734 -1.455 -18.112 0.46 29.11 C +ATOM 379 CE2APHE A 45 -35.727 -2.302 -18.531 0.46 29.48 C +ATOM 381 CD2APHE A 45 -35.556 -3.536 -17.925 0.46 33.40 C +ATOM 383 C APHE A 45 -33.876 -4.977 -15.213 0.46 15.69 C +ATOM 385 O APHE A 45 -33.084 -5.884 -15.487 0.46 15.15 O +ATOM 387 N TRP A 46 -33.549 -3.683 -15.204 1.00 15.30 N +ATOM 388 CA TRP A 46 -32.217 -3.190 -15.547 1.00 12.11 C +ATOM 389 CB TRP A 46 -32.194 -1.669 -15.502 1.00 11.86 C +ATOM 390 CG TRP A 46 -32.362 -1.069 -14.144 1.00 11.95 C +ATOM 391 CD1 TRP A 46 -31.374 -0.814 -13.255 1.00 14.46 C +ATOM 392 NE1 TRP A 46 -31.897 -0.254 -12.112 1.00 13.21 N +ATOM 393 CE2 TRP A 46 -33.243 -0.087 -12.279 1.00 12.73 C +ATOM 394 CD2 TRP A 46 -33.570 -0.579 -13.549 1.00 14.22 C +ATOM 395 CE3 TRP A 46 -34.912 -0.509 -13.973 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 -35.861 0.013 -13.098 1.00 16.83 C +ATOM 397 CH2 TRP A 46 -35.490 0.499 -11.837 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 -34.195 0.465 -11.412 1.00 16.01 C +ATOM 399 C TRP A 46 -31.124 -3.789 -14.638 1.00 11.22 C +ATOM 400 O TRP A 46 -30.033 -4.018 -15.084 1.00 12.05 O +ATOM 401 N ARG A 47 -31.440 -4.004 -13.354 1.00 12.46 N +ATOM 402 CA ARG A 47 -30.480 -4.528 -12.369 1.00 12.68 C +ATOM 403 CB ARG A 47 -31.182 -4.780 -11.048 1.00 11.77 C +ATOM 404 CG ARG A 47 -31.676 -3.490 -10.454 1.00 11.77 C +ATOM 405 CD ARG A 47 -32.360 -3.733 -9.154 1.00 12.31 C +ATOM 406 NE ARG A 47 -32.809 -2.504 -8.533 1.00 14.80 N +ATOM 407 CZ ARG A 47 -32.071 -1.714 -7.743 1.00 17.44 C +ATOM 408 NH1 ARG A 47 -30.820 -2.022 -7.416 1.00 16.23 N +ATOM 409 NH2 ARG A 47 -32.609 -0.626 -7.214 1.00 14.30 N +ATOM 410 C ARG A 47 -29.756 -5.817 -12.800 1.00 12.29 C +ATOM 411 O ARG A 47 -28.646 -6.089 -12.344 1.00 9.14 O +ATOM 412 N TYR A 48 -30.390 -6.616 -13.670 1.00 10.04 N +ATOM 413 CA TYR A 48 -29.836 -7.913 -14.030 1.00 10.43 C +ATOM 414 CB TYR A 48 -30.956 -8.855 -14.593 1.00 10.84 C +ATOM 415 CG TYR A 48 -32.047 -9.140 -13.575 1.00 7.71 C +ATOM 416 CD1 TYR A 48 -31.804 -9.980 -12.496 1.00 7.71 C +ATOM 417 CE1 TYR A 48 -32.766 -10.258 -11.552 1.00 6.25 C +ATOM 418 CZ TYR A 48 -34.005 -9.695 -11.669 1.00 6.42 C +ATOM 419 OH TYR A 48 -34.975 -9.997 -10.710 1.00 6.77 O +ATOM 420 CE2 TYR A 48 -34.293 -8.876 -12.734 1.00 6.94 C +ATOM 421 CD2 TYR A 48 -33.321 -8.598 -13.684 1.00 8.10 C +ATOM 422 C TYR A 48 -28.691 -7.717 -14.992 1.00 10.47 C +ATOM 423 O TYR A 48 -27.901 -8.640 -15.232 1.00 9.93 O +ATOM 424 N PHE A 49 -28.573 -6.483 -15.488 1.00 10.22 N +ATOM 425 CA PHE A 49 -27.524 -6.049 -16.423 1.00 13.54 C +ATOM 426 CB PHE A 49 -28.178 -5.616 -17.755 1.00 13.65 C +ATOM 427 CG PHE A 49 -29.111 -6.682 -18.312 1.00 10.24 C +ATOM 428 CD1 PHE A 49 -28.628 -7.683 -19.138 1.00 11.08 C +ATOM 429 CE1 PHE A 49 -29.450 -8.688 -19.610 1.00 9.94 C +ATOM 430 CZ PHE A 49 -30.776 -8.674 -19.244 1.00 10.35 C +ATOM 431 CE2 PHE A 49 -31.250 -7.696 -18.395 1.00 10.99 C +ATOM 432 CD2 PHE A 49 -30.414 -6.714 -17.941 1.00 9.51 C +ATOM 433 C PHE A 49 -26.597 -4.925 -15.908 1.00 11.86 C +ATOM 434 O PHE A 49 -25.395 -4.945 -16.157 1.00 11.51 O +ATOM 435 N THR A 50 -27.155 -3.971 -15.173 1.00 12.55 N +ATOM 436 CA THR A 50 -26.431 -2.760 -14.885 1.00 14.45 C +ATOM 437 CB THR A 50 -27.359 -1.635 -14.493 1.00 15.19 C +ATOM 438 OG1 THR A 50 -28.152 -2.067 -13.397 1.00 14.97 O +ATOM 439 CG2 THR A 50 -28.220 -1.164 -15.716 1.00 15.23 C +ATOM 440 C THR A 50 -25.340 -2.895 -13.784 1.00 14.00 C +ATOM 441 O THR A 50 -24.518 -2.002 -13.649 1.00 13.59 O +ATOM 442 N HIS A 51 -25.306 -4.033 -13.066 1.00 12.10 N +ATOM 443 CA HIS A 51 -24.162 -4.416 -12.246 1.00 11.62 C +ATOM 444 CB HIS A 51 -24.374 -5.800 -11.622 1.00 13.56 C +ATOM 445 CG HIS A 51 -24.528 -6.895 -12.640 1.00 12.87 C +ATOM 446 ND1 HIS A 51 -23.447 -7.477 -13.269 1.00 8.49 N +ATOM 447 CE1 HIS A 51 -23.892 -8.361 -14.152 1.00 12.06 C +ATOM 448 NE2 HIS A 51 -25.222 -8.359 -14.129 1.00 12.69 N +ATOM 449 CD2 HIS A 51 -25.642 -7.433 -13.206 1.00 9.97 C +ATOM 450 C HIS A 51 -22.818 -4.350 -13.069 1.00 12.16 C +ATOM 451 O HIS A 51 -21.731 -3.974 -12.547 1.00 11.44 O +ATOM 452 N ALA A 52 -22.901 -4.624 -14.369 1.00 10.69 N +ATOM 453 CA ALA A 52 -21.727 -4.586 -15.238 1.00 11.23 C +ATOM 454 CB ALA A 52 -21.996 -5.315 -16.543 1.00 13.23 C +ATOM 455 C ALA A 52 -21.104 -3.200 -15.532 1.00 9.35 C +ATOM 456 O ALA A 52 -19.929 -3.130 -15.941 1.00 9.41 O +ATOM 457 N LEU A 53 -21.850 -2.142 -15.229 1.00 9.87 N +ATOM 458 CA LEU A 53 -21.487 -0.729 -15.522 1.00 12.33 C +ATOM 459 CB LEU A 53 -22.731 0.087 -15.857 1.00 11.52 C +ATOM 460 CG LEU A 53 -23.500 -0.408 -17.099 1.00 16.11 C +ATOM 461 CD1 LEU A 53 -24.669 0.516 -17.369 1.00 15.54 C +ATOM 462 CD2 LEU A 53 -22.622 -0.476 -18.352 1.00 16.40 C +ATOM 463 C LEU A 53 -20.765 -0.011 -14.391 1.00 13.74 C +ATOM 464 O LEU A 53 -20.313 1.101 -14.578 1.00 16.46 O +ATOM 465 N MET A 54 -20.675 -0.662 -13.215 1.00 14.40 N +ATOM 466 CA MET A 54 -20.087 -0.074 -12.011 1.00 10.98 C +ATOM 467 CB MET A 54 -20.922 -0.496 -10.821 1.00 10.55 C +ATOM 468 CG MET A 54 -22.201 0.266 -10.716 1.00 13.54 C +ATOM 469 SD MET A 54 -23.150 -0.107 -9.242 1.00 10.40 S +ATOM 470 CE MET A 54 -23.709 -1.750 -9.760 1.00 9.03 C +ATOM 471 C MET A 54 -18.659 -0.617 -11.815 1.00 12.18 C +ATOM 472 O MET A 54 -18.407 -1.816 -11.942 1.00 12.58 O +ATOM 473 N HIS A 55 -17.718 0.282 -11.519 1.00 12.28 N +ATOM 474 CA HIS A 55 -16.402 -0.098 -11.122 1.00 11.39 C +ATOM 475 CB HIS A 55 -15.402 0.226 -12.223 1.00 11.48 C +ATOM 476 CG HIS A 55 -15.670 -0.507 -13.484 1.00 12.61 C +ATOM 477 ND1 HIS A 55 -16.510 -0.014 -14.469 1.00 13.59 N +ATOM 478 CE1 HIS A 55 -16.572 -0.882 -15.456 1.00 14.30 C +ATOM 479 NE2 HIS A 55 -15.830 -1.932 -15.142 1.00 12.53 N +ATOM 480 CD2 HIS A 55 -15.255 -1.721 -13.909 1.00 14.17 C +ATOM 481 C HIS A 55 -15.991 0.523 -9.799 1.00 11.45 C +ATOM 482 O HIS A 55 -16.334 1.625 -9.509 1.00 13.10 O +ATOM 483 N PHE A 56 -15.197 -0.218 -9.023 1.00 10.11 N +ATOM 484 CA PHE A 56 -14.780 0.198 -7.677 1.00 9.89 C +ATOM 485 CB PHE A 56 -14.931 -0.981 -6.719 1.00 10.76 C +ATOM 486 CG PHE A 56 -16.299 -1.576 -6.764 1.00 13.55 C +ATOM 487 CD1 PHE A 56 -17.412 -0.792 -6.398 1.00 14.41 C +ATOM 488 CE1 PHE A 56 -18.707 -1.311 -6.464 1.00 21.55 C +ATOM 489 CZ PHE A 56 -18.903 -2.619 -6.890 1.00 23.29 C +ATOM 490 CE2 PHE A 56 -17.801 -3.420 -7.207 1.00 17.99 C +ATOM 491 CD2 PHE A 56 -16.503 -2.885 -7.163 1.00 17.37 C +ATOM 492 C PHE A 56 -13.409 0.743 -7.588 1.00 8.06 C +ATOM 493 O PHE A 56 -13.048 1.278 -6.579 1.00 11.21 O +ATOM 494 N SER A 57 -12.641 0.621 -8.662 1.00 9.25 N +ATOM 495 CA SER A 57 -11.309 1.121 -8.719 1.00 12.25 C +ATOM 496 CB SER A 57 -10.305 0.055 -8.232 1.00 12.81 C +ATOM 497 OG SER A 57 -9.992 -0.856 -9.277 1.00 15.25 O +ATOM 498 C SER A 57 -10.962 1.579 -10.154 1.00 12.91 C +ATOM 499 O SER A 57 -11.436 1.029 -11.143 1.00 14.35 O +ATOM 500 N LEU A 58 -10.100 2.595 -10.204 1.00 10.97 N +ATOM 501 CA LEU A 58 -9.541 3.187 -11.377 1.00 11.43 C +ATOM 502 CB LEU A 58 -8.574 4.278 -10.889 1.00 12.33 C +ATOM 503 CG LEU A 58 -7.769 4.961 -11.956 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -8.753 5.460 -13.008 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.951 6.100 -11.335 1.00 14.25 C +ATOM 506 C LEU A 58 -8.781 2.172 -12.222 1.00 13.71 C +ATOM 507 O LEU A 58 -8.892 2.121 -13.455 1.00 11.94 O +ATOM 508 N MET A 59 -7.984 1.350 -11.543 1.00 16.33 N +ATOM 509 CA MET A 59 -7.172 0.347 -12.222 1.00 18.57 C +ATOM 510 CB MET A 59 -6.221 -0.276 -11.190 1.00 23.05 C +ATOM 511 CG AMET A 59 -5.848 -1.721 -11.393 0.48 26.57 C +ATOM 513 SD AMET A 59 -4.090 -1.947 -11.054 0.48 22.79 S +ATOM 515 CE AMET A 59 -4.065 -3.702 -11.403 0.48 24.88 C +ATOM 517 C MET A 59 -8.093 -0.619 -13.013 1.00 17.18 C +ATOM 518 O MET A 59 -7.845 -0.858 -14.194 1.00 14.21 O +ATOM 519 N HIS A 60 -9.204 -1.053 -12.393 1.00 14.12 N +ATOM 520 CA HIS A 60 -10.122 -2.008 -12.999 1.00 16.07 C +ATOM 521 CB HIS A 60 -10.946 -2.676 -11.918 1.00 22.58 C +ATOM 522 CG HIS A 60 -10.148 -3.649 -11.108 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -10.694 -4.455 -10.131 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -9.740 -5.208 -9.611 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -8.598 -4.927 -10.219 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -8.834 -3.967 -11.166 1.00 50.39 C +ATOM 527 C HIS A 60 -10.984 -1.437 -14.136 1.00 12.01 C +ATOM 528 O HIS A 60 -11.158 -2.109 -15.168 1.00 10.26 O +ATOM 529 N ILE A 61 -11.462 -0.195 -13.989 1.00 8.67 N +ATOM 530 CA ILE A 61 -12.155 0.432 -15.084 1.00 8.62 C +ATOM 531 CB ILE A 61 -12.923 1.696 -14.707 1.00 7.58 C +ATOM 532 CG1 ILE A 61 -13.876 2.075 -15.865 1.00 8.87 C +ATOM 533 CD1 ILE A 61 -14.766 3.269 -15.582 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -12.014 2.843 -14.359 1.00 8.93 C +ATOM 535 C ILE A 61 -11.245 0.557 -16.296 1.00 8.60 C +ATOM 536 O ILE A 61 -11.641 0.262 -17.414 1.00 8.64 O +ATOM 537 N LEU A 62 -9.995 0.926 -16.073 1.00 12.67 N +ATOM 538 CA LEU A 62 -9.051 1.149 -17.166 1.00 13.90 C +ATOM 539 CB LEU A 62 -7.790 1.855 -16.686 1.00 18.30 C +ATOM 540 CG LEU A 62 -7.969 3.362 -16.395 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.817 3.910 -15.541 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -8.082 4.161 -17.687 1.00 22.18 C +ATOM 543 C LEU A 62 -8.719 -0.131 -17.884 1.00 10.78 C +ATOM 544 O LEU A 62 -8.805 -0.193 -19.091 1.00 8.81 O +ATOM 545 N PHE A 63 -8.380 -1.181 -17.139 1.00 12.10 N +ATOM 546 CA PHE A 63 -8.090 -2.474 -17.781 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.407 -3.464 -16.831 1.00 13.80 C +ATOM 548 CG PHE A 63 -5.941 -3.183 -16.702 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -5.089 -3.427 -17.791 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -3.742 -3.109 -17.738 1.00 29.98 C +ATOM 551 CZ PHE A 63 -3.233 -2.517 -16.607 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -4.056 -2.247 -15.537 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -5.416 -2.561 -15.584 1.00 23.06 C +ATOM 554 C PHE A 63 -9.326 -3.070 -18.457 1.00 9.46 C +ATOM 555 O PHE A 63 -9.207 -3.538 -19.579 1.00 9.63 O +ATOM 556 N ASN A 64 -10.478 -3.067 -17.768 1.00 8.67 N +ATOM 557 CA ASN A 64 -11.744 -3.618 -18.289 1.00 9.14 C +ATOM 558 CB ASN A 64 -12.938 -3.517 -17.280 1.00 11.48 C +ATOM 559 CG ASN A 64 -12.813 -4.452 -16.067 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -13.567 -4.410 -15.003 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -11.837 -5.310 -16.206 1.00 12.68 N +ATOM 562 C ASN A 64 -12.049 -2.879 -19.624 1.00 8.26 C +ATOM 563 O ASN A 64 -12.353 -3.484 -20.639 1.00 10.86 O +ATOM 564 N LEU A 65 -11.917 -1.556 -19.640 1.00 8.25 N +ATOM 565 CA LEU A 65 -12.282 -0.817 -20.829 1.00 7.48 C +ATOM 566 CB LEU A 65 -12.625 0.628 -20.544 1.00 6.64 C +ATOM 567 CG LEU A 65 -13.934 0.924 -19.821 1.00 6.96 C +ATOM 568 CD1 LEU A 65 -14.229 2.403 -19.750 1.00 6.37 C +ATOM 569 CD2 LEU A 65 -15.155 0.302 -20.431 1.00 8.07 C +ATOM 570 C LEU A 65 -11.296 -0.983 -21.943 1.00 8.20 C +ATOM 571 O LEU A 65 -11.686 -0.865 -23.107 1.00 10.57 O +ATOM 572 N LEU A 66 -10.026 -1.232 -21.602 1.00 9.34 N +ATOM 573 CA LEU A 66 -8.977 -1.434 -22.585 1.00 11.79 C +ATOM 574 CB LEU A 66 -7.609 -1.583 -21.880 1.00 16.80 C +ATOM 575 CG LEU A 66 -6.435 -1.833 -22.858 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.179 -0.616 -23.757 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -5.157 -2.306 -22.137 1.00 27.68 C +ATOM 578 C LEU A 66 -9.290 -2.701 -23.381 1.00 10.64 C +ATOM 579 O LEU A 66 -9.285 -2.701 -24.625 1.00 15.70 O +ATOM 580 N TRP A 67 -9.545 -3.780 -22.643 1.00 9.19 N +ATOM 581 CA TRP A 67 -9.915 -5.080 -23.183 1.00 11.28 C +ATOM 582 CB TRP A 67 -10.045 -6.109 -22.048 1.00 13.34 C +ATOM 583 CG TRP A 67 -8.747 -6.690 -21.568 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -8.240 -6.639 -20.291 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -7.073 -7.335 -20.214 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -6.774 -7.848 -21.450 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.831 -7.479 -22.330 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.813 -7.926 -23.655 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -6.754 -8.686 -24.077 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -5.689 -9.045 -23.164 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -5.697 -8.639 -21.855 1.00 14.32 C +ATOM 592 C TRP A 67 -11.229 -5.057 -23.949 1.00 8.88 C +ATOM 593 O TRP A 67 -11.307 -5.624 -25.015 1.00 8.19 O +ATOM 594 N TRP A 68 -12.261 -4.429 -23.359 1.00 10.01 N +ATOM 595 CA TRP A 68 -13.549 -4.179 -24.023 1.00 10.75 C +ATOM 596 CB TRP A 68 -14.515 -3.403 -23.106 1.00 12.22 C +ATOM 597 CG TRP A 68 -15.684 -2.815 -23.867 1.00 10.28 C +ATOM 598 CD1 TRP A 68 -15.769 -1.553 -24.400 1.00 10.20 C +ATOM 599 NE1 TRP A 68 -16.953 -1.392 -25.037 1.00 12.09 N +ATOM 600 CE2 TRP A 68 -17.667 -2.549 -24.959 1.00 10.02 C +ATOM 601 CD2 TRP A 68 -16.889 -3.469 -24.198 1.00 9.02 C +ATOM 602 CE3 TRP A 68 -17.394 -4.747 -23.945 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 -18.693 -5.072 -24.436 1.00 10.67 C +ATOM 604 CH2 TRP A 68 -19.459 -4.109 -25.176 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 -18.951 -2.860 -25.466 1.00 10.72 C +ATOM 606 C TRP A 68 -13.338 -3.419 -25.345 1.00 12.58 C +ATOM 607 O TRP A 68 -13.855 -3.832 -26.396 1.00 12.72 O +ATOM 608 N TRP A 69 -12.540 -2.345 -25.308 1.00 9.65 N +ATOM 609 CA TRP A 69 -12.296 -1.574 -26.504 1.00 11.78 C +ATOM 610 CB TRP A 69 -11.443 -0.326 -26.171 1.00 14.65 C +ATOM 611 CG TRP A 69 -11.064 0.617 -27.339 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -11.883 1.088 -28.317 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -11.196 1.910 -29.172 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -9.903 1.986 -28.760 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -9.784 1.184 -27.597 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -8.548 1.138 -26.932 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -7.469 1.884 -27.459 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -7.629 2.661 -28.628 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -8.835 2.727 -29.282 1.00 36.39 C +ATOM 620 C TRP A 69 -11.630 -2.439 -27.601 1.00 10.65 C +ATOM 621 O TRP A 69 -12.004 -2.373 -28.772 1.00 7.41 O +ATOM 622 N TYR A 70 -10.626 -3.223 -27.206 1.00 9.26 N +ATOM 623 CA TYR A 70 -9.925 -4.081 -28.158 1.00 10.38 C +ATOM 624 CB TYR A 70 -8.599 -4.590 -27.568 1.00 11.80 C +ATOM 625 CG TYR A 70 -7.693 -5.251 -28.578 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.996 -4.507 -29.526 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -6.176 -5.126 -30.475 1.00 19.00 C +ATOM 628 CZ TYR A 70 -6.078 -6.512 -30.487 1.00 21.71 C +ATOM 629 OH TYR A 70 -5.267 -7.185 -31.386 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -6.779 -7.261 -29.567 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -7.573 -6.628 -28.617 1.00 19.10 C +ATOM 632 C TYR A 70 -10.751 -5.271 -28.672 1.00 8.62 C +ATOM 633 O TYR A 70 -10.856 -5.491 -29.872 1.00 8.15 O +ATOM 634 N LEU A 71 -11.307 -6.068 -27.763 1.00 8.22 N +ATOM 635 CA LEU A 71 -11.956 -7.291 -28.167 1.00 8.75 C +ATOM 636 CB LEU A 71 -11.989 -8.301 -27.042 1.00 10.19 C +ATOM 637 CG LEU A 71 -10.671 -8.786 -26.460 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -10.965 -9.735 -25.348 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -9.855 -9.528 -27.499 1.00 13.03 C +ATOM 640 C LEU A 71 -13.369 -6.981 -28.600 1.00 9.72 C +ATOM 641 O LEU A 71 -13.791 -7.390 -29.687 1.00 10.90 O +ATOM 642 N GLY A 72 -14.084 -6.233 -27.749 1.00 10.28 N +ATOM 643 CA GLY A 72 -15.360 -5.618 -28.107 1.00 10.65 C +ATOM 644 C GLY A 72 -15.302 -5.014 -29.487 1.00 9.77 C +ATOM 645 O GLY A 72 -16.078 -5.357 -30.316 1.00 10.46 O +ATOM 646 N GLY A 73 -14.343 -4.124 -29.734 1.00 10.80 N +ATOM 647 CA GLY A 73 -14.260 -3.396 -30.997 1.00 9.84 C +ATOM 648 C GLY A 73 -13.985 -4.294 -32.205 1.00 9.93 C +ATOM 649 O GLY A 73 -14.514 -4.093 -33.311 1.00 9.02 O +ATOM 650 N ALA A 74 -13.152 -5.312 -31.995 1.00 10.45 N +ATOM 651 CA ALA A 74 -12.895 -6.308 -33.031 1.00 10.89 C +ATOM 652 CB ALA A 74 -11.826 -7.294 -32.554 1.00 10.75 C +ATOM 653 C ALA A 74 -14.217 -7.043 -33.378 1.00 8.90 C +ATOM 654 O ALA A 74 -14.622 -7.108 -34.518 1.00 9.49 O +ATOM 655 N VAL A 75 -14.905 -7.548 -32.359 1.00 8.02 N +ATOM 656 CA VAL A 75 -16.136 -8.257 -32.596 1.00 9.54 C +ATOM 657 CB VAL A 75 -16.763 -8.780 -31.302 1.00 8.90 C +ATOM 658 CG1 VAL A 75 -18.160 -9.337 -31.566 1.00 10.78 C +ATOM 659 CG2 VAL A 75 -15.877 -9.861 -30.724 1.00 8.31 C +ATOM 660 C VAL A 75 -17.126 -7.429 -33.411 1.00 8.80 C +ATOM 661 O VAL A 75 -17.639 -7.900 -34.389 1.00 10.62 O +ATOM 662 N GLU A 76 -17.402 -6.206 -32.983 1.00 9.32 N +ATOM 663 CA GLU A 76 -18.325 -5.313 -33.689 1.00 11.38 C +ATOM 664 CB GLU A 76 -18.458 -3.959 -32.979 1.00 13.00 C +ATOM 665 CG GLU A 76 -19.459 -2.960 -33.569 1.00 11.01 C +ATOM 666 CD GLU A 76 -19.930 -1.972 -32.515 1.00 12.62 C +ATOM 667 OE1 GLU A 76 -19.183 -1.652 -31.548 1.00 12.49 O +ATOM 668 OE2 GLU A 76 -21.075 -1.503 -32.634 1.00 16.29 O +ATOM 669 C GLU A 76 -17.901 -5.085 -35.109 1.00 13.17 C +ATOM 670 O GLU A 76 -18.731 -5.165 -36.019 1.00 14.71 O +ATOM 671 N LYS A 77 -16.614 -4.801 -35.315 1.00 13.53 N +ATOM 672 CA LYS A 77 -16.122 -4.518 -36.648 1.00 16.95 C +ATOM 673 CB LYS A 77 -14.657 -4.040 -36.619 1.00 24.89 C +ATOM 674 CG LYS A 77 -14.161 -3.299 -37.866 1.00 29.96 C +ATOM 675 CD LYS A 77 -14.941 -2.005 -38.217 1.00 48.81 C +ATOM 676 CE LYS A 77 -15.143 -0.991 -37.062 1.00 51.17 C +ATOM 677 NZ LYS A 77 -16.530 -0.918 -36.453 1.00 41.66 N +ATOM 678 C LYS A 77 -16.262 -5.727 -37.572 1.00 13.69 C +ATOM 679 O LYS A 77 -16.677 -5.582 -38.695 1.00 11.09 O +ATOM 680 N ARG A 78 -15.902 -6.922 -37.107 1.00 13.15 N +ATOM 681 CA ARG A 78 -15.846 -8.048 -38.034 1.00 17.21 C +ATOM 682 CB ARG A 78 -14.682 -8.998 -37.745 1.00 26.03 C +ATOM 683 CG ARG A 78 -13.397 -8.360 -37.220 1.00 42.52 C +ATOM 684 CD ARG A 78 -12.379 -7.830 -38.235 1.00 53.37 C +ATOM 685 NE ARG A 78 -11.577 -6.732 -37.625 1.00 85.31 N +ATOM 686 CZ ARG A 78 -10.644 -6.856 -36.659 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -10.316 -8.045 -36.148 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -10.027 -5.770 -36.185 1.00 57.06 N +ATOM 689 C ARG A 78 -17.168 -8.817 -38.138 1.00 12.62 C +ATOM 690 O ARG A 78 -17.476 -9.334 -39.200 1.00 12.21 O +ATOM 691 N LEU A 79 -17.925 -8.884 -37.034 1.00 10.41 N +ATOM 692 CA LEU A 79 -19.150 -9.689 -36.895 1.00 8.22 C +ATOM 693 CB LEU A 79 -19.032 -10.642 -35.681 1.00 8.17 C +ATOM 694 CG LEU A 79 -17.737 -11.450 -35.652 1.00 8.98 C +ATOM 695 CD1 LEU A 79 -17.606 -12.471 -34.513 1.00 8.36 C +ATOM 696 CD2 LEU A 79 -17.616 -12.166 -36.995 1.00 9.32 C +ATOM 697 C LEU A 79 -20.417 -8.847 -36.746 1.00 6.91 C +ATOM 698 O LEU A 79 -21.527 -9.358 -36.876 1.00 8.56 O +ATOM 699 N GLY A 80 -20.272 -7.557 -36.453 1.00 5.95 N +ATOM 700 CA GLY A 80 -21.408 -6.681 -36.293 1.00 5.85 C +ATOM 701 C GLY A 80 -21.738 -6.281 -34.849 1.00 6.74 C +ATOM 702 O GLY A 80 -21.452 -6.996 -33.891 1.00 6.31 O +ATOM 703 N SER A 81 -22.427 -5.142 -34.751 1.00 6.52 N +ATOM 704 CA SER A 81 -23.011 -4.613 -33.568 1.00 7.29 C +ATOM 705 CB SER A 81 -23.800 -3.357 -33.946 1.00 6.49 C +ATOM 706 OG SER A 81 -22.894 -2.315 -34.225 1.00 7.34 O +ATOM 707 C SER A 81 -23.900 -5.582 -32.808 1.00 7.07 C +ATOM 708 O SER A 81 -23.785 -5.703 -31.543 1.00 7.73 O +ATOM 709 N GLY A 82 -24.761 -6.284 -33.547 1.00 6.35 N +ATOM 710 CA GLY A 82 -25.686 -7.239 -32.962 1.00 6.26 C +ATOM 711 C GLY A 82 -25.010 -8.351 -32.158 1.00 6.75 C +ATOM 712 O GLY A 82 -25.465 -8.743 -31.075 1.00 7.96 O +ATOM 713 N LYS A 83 -23.926 -8.884 -32.716 1.00 6.78 N +ATOM 714 CA LYS A 83 -23.197 -9.951 -32.130 1.00 7.45 C +ATOM 715 CB LYS A 83 -22.079 -10.352 -33.092 1.00 10.15 C +ATOM 716 CG LYS A 83 -21.203 -11.485 -32.552 1.00 13.46 C +ATOM 717 CD LYS A 83 -21.959 -12.777 -32.354 1.00 15.35 C +ATOM 718 CE LYS A 83 -22.229 -13.440 -33.701 1.00 13.83 C +ATOM 719 NZ LYS A 83 -22.853 -14.738 -33.391 1.00 17.70 N +ATOM 720 C LYS A 83 -22.612 -9.460 -30.791 1.00 7.49 C +ATOM 721 O LYS A 83 -22.686 -10.144 -29.784 1.00 6.49 O +ATOM 722 N LEU A 84 -22.055 -8.243 -30.786 1.00 7.56 N +ATOM 723 CA LEU A 84 -21.476 -7.676 -29.567 1.00 8.80 C +ATOM 724 CB LEU A 84 -20.776 -6.345 -29.822 1.00 8.75 C +ATOM 725 CG LEU A 84 -20.035 -5.752 -28.602 1.00 9.25 C +ATOM 726 CD1 LEU A 84 -19.131 -6.767 -27.942 1.00 11.42 C +ATOM 727 CD2 LEU A 84 -19.228 -4.516 -28.998 1.00 8.81 C +ATOM 728 C LEU A 84 -22.558 -7.475 -28.527 1.00 9.07 C +ATOM 729 O LEU A 84 -22.344 -7.783 -27.372 1.00 7.30 O +ATOM 730 N ILE A 85 -23.721 -6.959 -28.964 1.00 8.25 N +ATOM 731 CA ILE A 85 -24.876 -6.826 -28.071 1.00 8.61 C +ATOM 732 CB ILE A 85 -26.081 -6.227 -28.807 1.00 9.61 C +ATOM 733 CG1 ILE A 85 -25.818 -4.735 -29.062 1.00 10.88 C +ATOM 734 CD1 ILE A 85 -26.736 -4.127 -30.111 1.00 13.48 C +ATOM 735 CG2 ILE A 85 -27.392 -6.397 -28.007 1.00 9.42 C +ATOM 736 C ILE A 85 -25.268 -8.119 -27.342 1.00 7.41 C +ATOM 737 O ILE A 85 -25.422 -8.111 -26.115 1.00 8.94 O +ATOM 738 N VAL A 86 -25.415 -9.219 -28.085 1.00 6.37 N +ATOM 739 CA VAL A 86 -25.884 -10.465 -27.491 1.00 6.19 C +ATOM 740 CB AVAL A 86 -26.273 -11.494 -28.594 0.51 5.97 C +ATOM 742 CG1AVAL A 86 -27.034 -12.683 -28.001 0.51 5.42 C +ATOM 744 CG2AVAL A 86 -27.045 -10.819 -29.719 0.51 5.92 C +ATOM 746 C VAL A 86 -24.838 -11.101 -26.593 1.00 7.25 C +ATOM 747 O VAL A 86 -25.156 -11.551 -25.509 1.00 7.60 O +ATOM 748 N ILE A 87 -23.577 -11.134 -27.042 1.00 8.21 N +ATOM 749 CA ILE A 87 -22.494 -11.541 -26.144 1.00 9.69 C +ATOM 750 CB ILE A 87 -21.147 -11.350 -26.793 1.00 10.87 C +ATOM 751 CG1 ILE A 87 -20.997 -12.340 -27.919 1.00 10.95 C +ATOM 752 CD1 ILE A 87 -19.722 -12.109 -28.723 1.00 11.24 C +ATOM 753 CG2 ILE A 87 -20.024 -11.536 -25.766 1.00 14.74 C +ATOM 754 C ILE A 87 -22.538 -10.784 -24.812 1.00 8.23 C +ATOM 755 O ILE A 87 -22.523 -11.346 -23.716 1.00 8.72 O +ATOM 756 N THR A 88 -22.670 -9.477 -24.926 1.00 10.12 N +ATOM 757 CA THR A 88 -22.714 -8.602 -23.763 1.00 9.66 C +ATOM 758 CB THR A 88 -22.715 -7.129 -24.183 1.00 8.86 C +ATOM 759 OG1 THR A 88 -21.550 -6.851 -24.946 1.00 8.21 O +ATOM 760 CG2 THR A 88 -22.750 -6.198 -22.941 1.00 9.41 C +ATOM 761 C THR A 88 -23.930 -8.894 -22.883 1.00 10.56 C +ATOM 762 O THR A 88 -23.764 -8.988 -21.693 1.00 9.67 O +ATOM 763 N LEU A 89 -25.143 -9.003 -23.472 1.00 9.79 N +ATOM 764 CA LEU A 89 -26.351 -9.272 -22.666 1.00 9.43 C +ATOM 765 CB LEU A 89 -27.643 -9.258 -23.486 1.00 10.49 C +ATOM 766 CG LEU A 89 -27.995 -7.896 -24.095 1.00 13.29 C +ATOM 767 CD1 LEU A 89 -29.258 -8.022 -24.924 1.00 12.80 C +ATOM 768 CD2 LEU A 89 -28.146 -6.789 -23.045 1.00 15.37 C +ATOM 769 C LEU A 89 -26.282 -10.585 -21.926 1.00 10.23 C +ATOM 770 O LEU A 89 -26.704 -10.679 -20.764 1.00 16.46 O +ATOM 771 N ILE A 90 -25.812 -11.623 -22.624 1.00 9.43 N +ATOM 772 CA ILE A 90 -25.857 -12.976 -22.135 1.00 10.41 C +ATOM 773 CB ILE A 90 -25.635 -14.011 -23.289 1.00 10.97 C +ATOM 774 CG1 ILE A 90 -26.824 -14.038 -24.260 1.00 10.17 C +ATOM 775 CD1 ILE A 90 -26.655 -15.025 -25.433 1.00 11.35 C +ATOM 776 CG2 ILE A 90 -25.509 -15.408 -22.688 1.00 13.93 C +ATOM 777 C ILE A 90 -24.770 -13.094 -21.068 1.00 10.30 C +ATOM 778 O ILE A 90 -24.983 -13.657 -20.017 1.00 11.27 O +ATOM 779 N SER A 91 -23.585 -12.592 -21.376 1.00 9.52 N +ATOM 780 CA SER A 91 -22.496 -12.648 -20.400 1.00 14.52 C +ATOM 781 CB SER A 91 -21.150 -12.232 -20.995 1.00 13.25 C +ATOM 782 OG SER A 91 -21.137 -10.897 -21.373 1.00 12.23 O +ATOM 783 C SER A 91 -22.830 -11.849 -19.104 1.00 10.37 C +ATOM 784 O SER A 91 -22.594 -12.347 -18.006 1.00 9.69 O +ATOM 785 N ALA A 92 -23.413 -10.658 -19.258 1.00 9.09 N +ATOM 786 CA ALA A 92 -23.796 -9.842 -18.101 1.00 9.92 C +ATOM 787 CB ALA A 92 -24.308 -8.468 -18.495 1.00 9.81 C +ATOM 788 C ALA A 92 -24.801 -10.537 -17.236 1.00 9.21 C +ATOM 789 O ALA A 92 -24.706 -10.526 -16.033 1.00 11.95 O +ATOM 790 N LEU A 93 -25.808 -11.144 -17.859 1.00 12.58 N +ATOM 791 CA LEU A 93 -26.889 -11.767 -17.122 1.00 11.15 C +ATOM 792 CB LEU A 93 -27.971 -12.131 -18.109 1.00 13.97 C +ATOM 793 CG LEU A 93 -29.237 -12.642 -17.553 1.00 15.28 C +ATOM 794 CD1 LEU A 93 -29.899 -11.649 -16.608 1.00 14.89 C +ATOM 795 CD2 LEU A 93 -30.116 -12.981 -18.765 1.00 18.93 C +ATOM 796 C LEU A 93 -26.415 -13.023 -16.412 1.00 9.22 C +ATOM 797 O LEU A 93 -26.731 -13.238 -15.228 1.00 9.53 O +ATOM 798 N LEU A 94 -25.694 -13.876 -17.152 1.00 8.54 N +ATOM 799 CA LEU A 94 -25.294 -15.171 -16.619 1.00 10.77 C +ATOM 800 CB ALEU A 94 -24.829 -16.136 -17.723 0.55 9.48 C +ATOM 802 CG ALEU A 94 -25.951 -16.947 -18.370 0.55 8.72 C +ATOM 804 CD1ALEU A 94 -26.867 -16.083 -19.194 0.55 8.52 C +ATOM 806 CD2ALEU A 94 -25.392 -18.028 -19.262 0.55 9.47 C +ATOM 808 C LEU A 94 -24.214 -14.981 -15.547 1.00 10.87 C +ATOM 809 O LEU A 94 -24.253 -15.639 -14.484 1.00 14.49 O +ATOM 810 N SER A 95 -23.285 -14.047 -15.793 1.00 9.20 N +ATOM 811 CA SER A 95 -22.207 -13.834 -14.848 1.00 9.77 C +ATOM 812 CB SER A 95 -21.117 -12.956 -15.460 1.00 11.24 C +ATOM 813 OG SER A 95 -21.572 -11.635 -15.673 1.00 10.77 O +ATOM 814 C SER A 95 -22.751 -13.283 -13.559 1.00 10.28 C +ATOM 815 O SER A 95 -22.375 -13.713 -12.471 1.00 11.54 O +ATOM 816 N GLY A 96 -23.731 -12.382 -13.665 1.00 9.63 N +ATOM 817 CA GLY A 96 -24.378 -11.829 -12.478 1.00 9.09 C +ATOM 818 C GLY A 96 -25.141 -12.884 -11.699 1.00 10.87 C +ATOM 819 O GLY A 96 -25.141 -12.896 -10.441 1.00 9.44 O +ATOM 820 N TYR A 97 -25.859 -13.751 -12.429 1.00 10.40 N +ATOM 821 CA TYR A 97 -26.655 -14.754 -11.774 1.00 10.22 C +ATOM 822 CB TYR A 97 -27.494 -15.567 -12.778 1.00 9.26 C +ATOM 823 CG TYR A 97 -27.807 -16.936 -12.322 1.00 11.80 C +ATOM 824 CD1 TYR A 97 -28.754 -17.188 -11.355 1.00 13.53 C +ATOM 825 CE1 TYR A 97 -28.983 -18.468 -10.903 1.00 15.13 C +ATOM 826 CZ TYR A 97 -28.277 -19.507 -11.428 1.00 17.92 C +ATOM 827 OH TYR A 97 -28.481 -20.849 -11.075 1.00 35.59 O +ATOM 828 CE2 TYR A 97 -27.349 -19.281 -12.393 1.00 20.60 C +ATOM 829 CD2 TYR A 97 -27.099 -18.002 -12.821 1.00 15.19 C +ATOM 830 C TYR A 97 -25.742 -15.665 -10.949 1.00 10.61 C +ATOM 831 O TYR A 97 -26.076 -16.007 -9.815 1.00 9.19 O +ATOM 832 N VAL A 98 -24.630 -16.110 -11.557 1.00 10.24 N +ATOM 833 CA VAL A 98 -23.738 -17.053 -10.906 1.00 11.42 C +ATOM 834 CB VAL A 98 -22.720 -17.603 -11.911 1.00 13.55 C +ATOM 835 CG1 VAL A 98 -21.656 -18.421 -11.180 1.00 13.24 C +ATOM 836 CG2 VAL A 98 -23.432 -18.479 -12.959 1.00 13.47 C +ATOM 837 C VAL A 98 -23.008 -16.416 -9.723 1.00 9.87 C +ATOM 838 O VAL A 98 -22.858 -17.034 -8.676 1.00 8.32 O +ATOM 839 N GLN A 99 -22.532 -15.185 -9.922 1.00 9.03 N +ATOM 840 CA GLN A 99 -21.917 -14.421 -8.865 1.00 10.14 C +ATOM 841 CB GLN A 99 -21.501 -13.048 -9.325 1.00 9.94 C +ATOM 842 CG GLN A 99 -20.687 -12.277 -8.253 1.00 12.42 C +ATOM 843 CD GLN A 99 -19.453 -13.015 -7.762 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -18.792 -13.713 -8.536 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -19.178 -12.931 -6.446 1.00 13.91 N +ATOM 846 C GLN A 99 -22.804 -14.289 -7.663 1.00 10.64 C +ATOM 847 O GLN A 99 -22.344 -14.507 -6.511 1.00 13.44 O +ATOM 848 N GLN A 100 -24.070 -13.917 -7.883 1.00 11.43 N +ATOM 849 CA GLN A 100 -24.954 -13.695 -6.736 1.00 10.79 C +ATOM 850 CB GLN A 100 -26.196 -12.878 -7.043 1.00 15.29 C +ATOM 851 CG GLN A 100 -27.204 -13.459 -8.029 1.00 15.18 C +ATOM 852 CD GLN A 100 -28.114 -14.523 -7.458 1.00 20.02 C +ATOM 853 OE1 GLN A 100 -28.505 -14.435 -6.271 1.00 17.98 O +ATOM 854 NE2 GLN A 100 -28.388 -15.624 -8.285 1.00 13.46 N +ATOM 855 C GLN A 100 -25.298 -14.992 -6.047 1.00 11.18 C +ATOM 856 O GLN A 100 -25.412 -15.020 -4.832 1.00 10.28 O +ATOM 857 N LYS A 101 -25.404 -16.087 -6.811 1.00 12.05 N +ATOM 858 CA LYS A 101 -25.674 -17.401 -6.220 1.00 15.91 C +ATOM 859 CB LYS A 101 -25.751 -18.484 -7.295 1.00 19.62 C +ATOM 860 CG LYS A 101 -26.193 -19.845 -6.800 1.00 25.54 C +ATOM 861 CD LYS A 101 -27.485 -19.801 -5.989 1.00 36.13 C +ATOM 862 CE LYS A 101 -28.621 -19.017 -6.647 1.00 47.35 C +ATOM 863 NZ LYS A 101 -29.789 -18.961 -5.714 1.00 53.61 N +ATOM 864 C LYS A 101 -24.603 -17.820 -5.194 1.00 14.76 C +ATOM 865 O LYS A 101 -24.938 -18.368 -4.195 1.00 12.05 O +ATOM 866 N PHE A 102 -23.324 -17.590 -5.499 1.00 17.64 N +ATOM 867 CA PHE A 102 -22.218 -18.037 -4.646 1.00 22.08 C +ATOM 868 CB PHE A 102 -20.889 -18.140 -5.396 1.00 32.43 C +ATOM 869 CG PHE A 102 -20.817 -19.229 -6.440 1.00 49.16 C +ATOM 870 CD1 PHE A 102 -21.765 -20.246 -6.530 1.00 57.17 C +ATOM 871 CE1 PHE A 102 -21.644 -21.242 -7.500 1.00 64.20 C +ATOM 872 CZ PHE A 102 -20.559 -21.243 -8.373 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -19.593 -20.250 -8.286 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -19.721 -19.253 -7.325 1.00 70.03 C +ATOM 875 C PHE A 102 -21.959 -17.075 -3.509 1.00 15.16 C +ATOM 876 O PHE A 102 -21.667 -17.509 -2.436 1.00 18.94 O +ATOM 877 N SER A 103 -22.073 -15.771 -3.773 1.00 13.90 N +ATOM 878 CA SER A 103 -21.572 -14.727 -2.891 1.00 11.20 C +ATOM 879 CB SER A 103 -20.309 -14.195 -3.558 1.00 11.98 C +ATOM 880 OG SER A 103 -19.427 -15.276 -3.653 1.00 11.27 O +ATOM 881 C SER A 103 -22.473 -13.525 -2.612 1.00 11.46 C +ATOM 882 O SER A 103 -22.046 -12.573 -1.977 1.00 9.51 O +ATOM 883 N GLY A 104 -23.690 -13.523 -3.166 1.00 10.24 N +ATOM 884 CA GLY A 104 -24.637 -12.451 -2.929 1.00 9.26 C +ATOM 885 C GLY A 104 -24.549 -11.285 -3.911 1.00 9.97 C +ATOM 886 O GLY A 104 -23.775 -11.275 -4.866 1.00 7.26 O +ATOM 887 N PRO A 105 -25.419 -10.276 -3.720 1.00 7.88 N +ATOM 888 CA PRO A 105 -25.678 -9.282 -4.757 1.00 8.48 C +ATOM 889 CB PRO A 105 -27.062 -8.809 -4.339 1.00 8.22 C +ATOM 890 CG PRO A 105 -27.007 -8.885 -2.822 1.00 6.83 C +ATOM 891 CD PRO A 105 -26.293 -10.159 -2.551 1.00 6.35 C +ATOM 892 C PRO A 105 -24.685 -8.063 -4.877 1.00 10.05 C +ATOM 893 O PRO A 105 -24.861 -7.192 -5.734 1.00 10.01 O +ATOM 894 N TRP A 106 -23.694 -7.998 -3.989 1.00 11.69 N +ATOM 895 CA TRP A 106 -22.848 -6.807 -3.829 1.00 11.54 C +ATOM 896 CB TRP A 106 -22.502 -6.595 -2.355 1.00 12.46 C +ATOM 897 CG TRP A 106 -23.715 -6.450 -1.568 1.00 12.18 C +ATOM 898 CD1 TRP A 106 -24.239 -7.363 -0.718 1.00 10.82 C +ATOM 899 NE1 TRP A 106 -25.396 -6.873 -0.152 1.00 11.60 N +ATOM 900 CE2 TRP A 106 -25.684 -5.655 -0.714 1.00 11.11 C +ATOM 901 CD2 TRP A 106 -24.631 -5.353 -1.609 1.00 13.14 C +ATOM 902 CE3 TRP A 106 -24.669 -4.150 -2.305 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 -25.770 -3.290 -2.094 1.00 14.76 C +ATOM 904 CH2 TRP A 106 -26.783 -3.624 -1.182 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 -26.758 -4.800 -0.502 1.00 10.23 C +ATOM 906 C TRP A 106 -21.606 -6.969 -4.635 1.00 10.94 C +ATOM 907 O TRP A 106 -20.495 -7.168 -4.085 1.00 10.11 O +ATOM 908 N PHE A 107 -21.799 -6.916 -5.956 1.00 11.04 N +ATOM 909 CA PHE A 107 -20.731 -7.041 -6.918 1.00 10.70 C +ATOM 910 CB PHE A 107 -20.674 -8.485 -7.421 1.00 13.62 C +ATOM 911 CG PHE A 107 -21.858 -8.897 -8.228 1.00 12.43 C +ATOM 912 CD1 PHE A 107 -22.981 -9.371 -7.610 1.00 14.88 C +ATOM 913 CE1 PHE A 107 -24.085 -9.758 -8.334 1.00 15.39 C +ATOM 914 CZ PHE A 107 -24.073 -9.635 -9.696 1.00 15.58 C +ATOM 915 CE2 PHE A 107 -22.946 -9.171 -10.344 1.00 12.75 C +ATOM 916 CD2 PHE A 107 -21.843 -8.787 -9.601 1.00 14.16 C +ATOM 917 C PHE A 107 -20.976 -6.075 -8.050 1.00 12.33 C +ATOM 918 O PHE A 107 -22.081 -5.532 -8.209 1.00 12.46 O +ATOM 919 N GLY A 108 -19.935 -5.839 -8.848 1.00 9.93 N +ATOM 920 CA GLY A 108 -20.072 -5.014 -10.016 1.00 8.76 C +ATOM 921 C GLY A 108 -18.853 -5.117 -10.877 1.00 9.73 C +ATOM 922 O GLY A 108 -17.823 -5.611 -10.457 1.00 9.84 O +ATOM 923 N GLY A 109 -18.969 -4.614 -12.098 1.00 10.32 N +ATOM 924 CA GLY A 109 -17.840 -4.570 -12.990 1.00 10.57 C +ATOM 925 C GLY A 109 -18.073 -5.267 -14.313 1.00 11.70 C +ATOM 926 O GLY A 109 -18.826 -6.246 -14.402 1.00 11.87 O +ATOM 927 N LEU A 110 -17.362 -4.781 -15.328 1.00 11.04 N +ATOM 928 CA LEU A 110 -17.378 -5.314 -16.673 1.00 14.57 C +ATOM 929 CB LEU A 110 -16.975 -4.182 -17.651 1.00 11.87 C +ATOM 930 CG LEU A 110 -17.367 -4.420 -19.106 1.00 12.86 C +ATOM 931 CD1 LEU A 110 -18.906 -4.481 -19.217 1.00 12.16 C +ATOM 932 CD2 LEU A 110 -16.783 -3.269 -19.930 1.00 12.82 C +ATOM 933 C LEU A 110 -16.566 -6.625 -16.949 1.00 11.01 C +ATOM 934 O LEU A 110 -16.628 -7.196 -18.013 1.00 14.43 O +ATOM 935 N SER A 111 -15.834 -7.123 -15.969 1.00 13.29 N +ATOM 936 CA SER A 111 -14.972 -8.267 -16.183 1.00 10.12 C +ATOM 937 CB SER A 111 -14.054 -8.500 -14.971 1.00 10.55 C +ATOM 938 OG SER A 111 -14.775 -8.858 -13.780 1.00 11.02 O +ATOM 939 C SER A 111 -15.678 -9.568 -16.545 1.00 12.43 C +ATOM 940 O SER A 111 -15.048 -10.443 -17.156 1.00 13.91 O +ATOM 941 N GLY A 112 -16.960 -9.714 -16.178 1.00 12.21 N +ATOM 942 CA GLY A 112 -17.730 -10.883 -16.590 1.00 12.07 C +ATOM 943 C GLY A 112 -17.795 -10.878 -18.101 1.00 11.14 C +ATOM 944 O GLY A 112 -17.527 -11.896 -18.794 1.00 9.44 O +ATOM 945 N VAL A 113 -18.140 -9.697 -18.622 1.00 10.51 N +ATOM 946 CA VAL A 113 -18.237 -9.432 -20.058 1.00 10.87 C +ATOM 947 CB VAL A 113 -18.860 -8.050 -20.347 1.00 8.83 C +ATOM 948 CG1 VAL A 113 -18.840 -7.788 -21.821 1.00 13.82 C +ATOM 949 CG2 VAL A 113 -20.287 -7.963 -19.851 1.00 9.67 C +ATOM 950 C VAL A 113 -16.867 -9.537 -20.717 1.00 9.75 C +ATOM 951 O VAL A 113 -16.721 -10.090 -21.744 1.00 10.43 O +ATOM 952 N VAL A 114 -15.846 -8.969 -20.087 1.00 10.82 N +ATOM 953 CA VAL A 114 -14.518 -9.053 -20.623 1.00 10.51 C +ATOM 954 CB VAL A 114 -13.535 -8.221 -19.807 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -12.119 -8.534 -20.200 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -13.823 -6.761 -20.044 1.00 11.97 C +ATOM 957 C VAL A 114 -14.052 -10.495 -20.745 1.00 10.52 C +ATOM 958 O VAL A 114 -13.441 -10.844 -21.780 1.00 8.61 O +ATOM 959 N TYR A 115 -14.323 -11.316 -19.712 1.00 11.27 N +ATOM 960 CA TYR A 115 -13.934 -12.738 -19.733 1.00 12.70 C +ATOM 961 CB TYR A 115 -14.181 -13.493 -18.402 1.00 13.31 C +ATOM 962 CG TYR A 115 -13.064 -13.355 -17.341 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -12.503 -12.128 -17.051 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -11.532 -11.985 -16.107 1.00 13.42 C +ATOM 965 CZ TYR A 115 -11.107 -13.073 -15.378 1.00 17.17 C +ATOM 966 OH TYR A 115 -10.130 -12.878 -14.406 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -11.649 -14.326 -15.628 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -12.619 -14.460 -16.605 1.00 18.31 C +ATOM 969 C TYR A 115 -14.631 -13.474 -20.896 1.00 13.25 C +ATOM 970 O TYR A 115 -14.008 -14.293 -21.549 1.00 12.92 O +ATOM 971 N ALA A 116 -15.922 -13.181 -21.124 1.00 11.18 N +ATOM 972 CA ALA A 116 -16.682 -13.748 -22.253 1.00 10.79 C +ATOM 973 CB ALA A 116 -18.111 -13.238 -22.199 1.00 11.53 C +ATOM 974 C ALA A 116 -16.016 -13.378 -23.597 1.00 12.39 C +ATOM 975 O ALA A 116 -15.812 -14.227 -24.461 1.00 9.32 O +ATOM 976 N LEU A 117 -15.585 -12.118 -23.726 1.00 11.10 N +ATOM 977 CA LEU A 117 -14.951 -11.675 -24.972 1.00 12.43 C +ATOM 978 CB LEU A 117 -14.736 -10.149 -24.961 1.00 9.99 C +ATOM 979 CG LEU A 117 -16.027 -9.377 -25.081 1.00 12.19 C +ATOM 980 CD1 LEU A 117 -15.724 -7.897 -24.901 1.00 14.38 C +ATOM 981 CD2 LEU A 117 -16.672 -9.641 -26.437 1.00 10.14 C +ATOM 982 C LEU A 117 -13.638 -12.389 -25.214 1.00 10.88 C +ATOM 983 O LEU A 117 -13.328 -12.824 -26.351 1.00 11.53 O +ATOM 984 N MET A 118 -12.851 -12.502 -24.141 1.00 10.42 N +ATOM 985 CA MET A 118 -11.595 -13.206 -24.213 1.00 10.48 C +ATOM 986 CB MET A 118 -10.919 -13.204 -22.869 1.00 13.13 C +ATOM 987 CG MET A 118 -10.235 -11.881 -22.543 1.00 14.60 C +ATOM 988 SD MET A 118 -9.697 -11.993 -20.810 1.00 14.44 S +ATOM 989 CE MET A 118 -8.704 -10.514 -20.701 1.00 20.16 C +ATOM 990 C MET A 118 -11.761 -14.618 -24.698 1.00 9.46 C +ATOM 991 O MET A 118 -11.060 -15.045 -25.640 1.00 8.61 O +ATOM 992 N GLY A 119 -12.676 -15.347 -24.056 1.00 7.77 N +ATOM 993 CA GLY A 119 -12.966 -16.713 -24.453 1.00 11.08 C +ATOM 994 C GLY A 119 -13.568 -16.824 -25.877 1.00 11.34 C +ATOM 995 O GLY A 119 -13.253 -17.739 -26.634 1.00 8.29 O +ATOM 996 N TYR A 120 -14.462 -15.883 -26.208 1.00 11.77 N +ATOM 997 CA TYR A 120 -15.099 -15.824 -27.496 1.00 10.79 C +ATOM 998 CB TYR A 120 -16.149 -14.701 -27.575 1.00 9.35 C +ATOM 999 CG TYR A 120 -16.925 -14.827 -28.862 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 -18.014 -15.699 -28.991 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 -18.697 -15.813 -30.200 1.00 7.07 C +ATOM 1002 CZ TYR A 120 -18.264 -15.068 -31.291 1.00 7.22 C +ATOM 1003 OH TYR A 120 -18.818 -15.100 -32.514 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 -17.185 -14.218 -31.169 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 -16.536 -14.112 -29.972 1.00 8.76 C +ATOM 1006 C TYR A 120 -14.067 -15.673 -28.629 1.00 11.63 C +ATOM 1007 O TYR A 120 -14.038 -16.500 -29.602 1.00 7.78 O +ATOM 1008 N VAL A 121 -13.267 -14.598 -28.531 1.00 12.00 N +ATOM 1009 CA VAL A 121 -12.352 -14.233 -29.617 1.00 9.62 C +ATOM 1010 CB VAL A 121 -11.726 -12.835 -29.453 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -10.634 -12.584 -30.510 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -12.800 -11.761 -29.521 1.00 10.90 C +ATOM 1013 C VAL A 121 -11.298 -15.322 -29.746 1.00 10.36 C +ATOM 1014 O VAL A 121 -10.996 -15.801 -30.855 1.00 9.00 O +ATOM 1015 N TRP A 122 -10.773 -15.769 -28.604 1.00 10.35 N +ATOM 1016 CA TRP A 122 -9.756 -16.802 -28.633 1.00 10.59 C +ATOM 1017 CB TRP A 122 -9.291 -17.164 -27.216 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.260 -18.221 -27.287 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -7.018 -18.096 -27.792 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -6.368 -19.295 -27.736 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -7.208 -20.227 -27.196 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -8.415 -19.585 -26.922 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -9.458 -20.322 -26.367 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -9.251 -21.675 -26.112 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -8.037 -22.296 -26.416 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -7.005 -21.589 -26.948 1.00 14.95 C +ATOM 1027 C TRP A 122 -10.271 -18.098 -29.330 1.00 10.52 C +ATOM 1028 O TRP A 122 -9.642 -18.613 -30.253 1.00 6.62 O +ATOM 1029 N LEU A 123 -11.401 -18.616 -28.832 1.00 9.99 N +ATOM 1030 CA LEU A 123 -11.904 -19.899 -29.265 1.00 12.53 C +ATOM 1031 CB LEU A 123 -13.012 -20.423 -28.334 1.00 12.84 C +ATOM 1032 CG LEU A 123 -13.474 -21.836 -28.784 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -12.319 -22.836 -28.815 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -14.618 -22.355 -27.923 1.00 18.37 C +ATOM 1035 C LEU A 123 -12.394 -19.811 -30.720 1.00 12.42 C +ATOM 1036 O LEU A 123 -12.144 -20.703 -31.511 1.00 9.14 O +ATOM 1037 N ARG A 124 -13.066 -18.704 -31.059 1.00 12.68 N +ATOM 1038 CA ARG A 124 -13.569 -18.511 -32.418 1.00 13.93 C +ATOM 1039 CB ARG A 124 -14.383 -17.228 -32.483 1.00 14.88 C +ATOM 1040 CG ARG A 124 -15.127 -16.966 -33.767 1.00 18.68 C +ATOM 1041 CD ARG A 124 -16.425 -17.754 -33.906 1.00 18.98 C +ATOM 1042 NE ARG A 124 -16.953 -17.666 -35.274 1.00 18.18 N +ATOM 1043 CZ ARG A 124 -17.763 -16.712 -35.744 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 -18.205 -15.718 -34.996 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 -18.163 -16.771 -36.991 1.00 19.04 N +ATOM 1046 C ARG A 124 -12.387 -18.518 -33.388 1.00 11.93 C +ATOM 1047 O ARG A 124 -12.441 -19.155 -34.420 1.00 11.11 O +ATOM 1048 N GLY A 125 -11.317 -17.809 -33.015 1.00 11.83 N +ATOM 1049 CA GLY A 125 -10.048 -17.842 -33.713 1.00 13.33 C +ATOM 1050 C GLY A 125 -9.528 -19.251 -33.909 1.00 12.39 C +ATOM 1051 O GLY A 125 -9.235 -19.650 -35.019 1.00 14.55 O +ATOM 1052 N GLU A 126 -9.444 -20.019 -32.825 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.928 -21.380 -32.903 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.795 -21.999 -31.501 1.00 21.28 C +ATOM 1055 CG GLU A 126 -7.744 -21.326 -30.629 1.00 25.78 C +ATOM 1056 CD GLU A 126 -6.345 -21.288 -31.257 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -5.602 -22.272 -31.113 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -5.976 -20.258 -31.880 1.00 34.29 O +ATOM 1059 C GLU A 126 -9.757 -22.296 -33.811 1.00 22.38 C +ATOM 1060 O GLU A 126 -9.197 -23.086 -34.563 1.00 19.45 O +ATOM 1061 N ARG A 127 -11.091 -22.194 -33.732 1.00 24.01 N +ATOM 1062 CA ARG A 127 -11.986 -23.156 -34.386 1.00 25.28 C +ATOM 1063 CB ARG A 127 -13.231 -23.388 -33.528 1.00 25.96 C +ATOM 1064 CG ARG A 127 -12.970 -24.151 -32.236 1.00 30.58 C +ATOM 1065 CD ARG A 127 -14.247 -24.772 -31.668 1.00 33.46 C +ATOM 1066 NE ARG A 127 -14.721 -25.883 -32.494 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -15.973 -26.073 -32.918 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -16.962 -25.267 -32.566 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -16.248 -27.109 -33.692 1.00 35.07 N +ATOM 1070 C ARG A 127 -12.416 -22.743 -35.790 1.00 25.09 C +ATOM 1071 O ARG A 127 -12.815 -23.564 -36.580 1.00 38.00 O +ATOM 1072 N ASP A 128 -12.329 -21.450 -36.087 1.00 30.78 N +ATOM 1073 CA ASP A 128 -13.007 -20.860 -37.225 1.00 27.85 C +ATOM 1074 CB ASP A 128 -14.399 -20.412 -36.758 1.00 37.74 C +ATOM 1075 CG ASP A 128 -15.303 -19.951 -37.882 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -15.002 -20.198 -39.071 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 -16.343 -19.338 -37.537 1.00 23.64 O +ATOM 1078 C ASP A 128 -12.134 -19.685 -37.650 1.00 29.31 C +ATOM 1079 O ASP A 128 -12.553 -18.530 -37.595 1.00 21.22 O +ATOM 1080 N PRO A 129 -10.867 -19.970 -38.030 1.00 31.44 N +ATOM 1081 CA PRO A 129 -9.928 -18.958 -38.517 1.00 33.06 C +ATOM 1082 CB PRO A 129 -8.972 -19.795 -39.389 1.00 39.26 C +ATOM 1083 CG PRO A 129 -9.029 -21.188 -38.830 1.00 36.32 C +ATOM 1084 CD PRO A 129 -10.254 -21.310 -37.967 1.00 33.88 C +ATOM 1085 C PRO A 129 -10.464 -17.776 -39.345 1.00 26.37 C +ATOM 1086 O PRO A 129 -10.241 -16.636 -38.978 1.00 36.71 O +ATOM 1087 N GLN A 130 -11.126 -18.046 -40.468 1.00 29.64 N +ATOM 1088 CA GLN A 130 -11.389 -16.987 -41.437 1.00 39.65 C +ATOM 1089 CB GLN A 130 -11.025 -17.420 -42.873 1.00 44.02 C +ATOM 1090 CG GLN A 130 -9.710 -18.198 -43.046 1.00 46.53 C +ATOM 1091 CD GLN A 130 -8.468 -17.585 -42.384 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -8.529 -16.625 -41.606 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.320 -18.169 -42.695 1.00 49.29 N +ATOM 1094 C GLN A 130 -12.803 -16.394 -41.366 1.00 40.56 C +ATOM 1095 O GLN A 130 -13.372 -15.991 -42.378 1.00 43.17 O +ATOM 1096 N SER A 131 -13.350 -16.326 -40.149 1.00 36.80 N +ATOM 1097 CA SER A 131 -14.344 -15.316 -39.798 1.00 34.27 C +ATOM 1098 CB SER A 131 -15.177 -15.744 -38.589 1.00 42.18 C +ATOM 1099 OG SER A 131 -14.416 -16.498 -37.658 1.00 46.33 O +ATOM 1100 C SER A 131 -13.600 -14.000 -39.521 1.00 33.35 C +ATOM 1101 O SER A 131 -14.235 -12.954 -39.321 1.00 24.86 O +ATOM 1102 N GLY A 132 -12.254 -14.077 -39.521 1.00 25.71 N +ATOM 1103 CA GLY A 132 -11.366 -12.940 -39.432 1.00 23.70 C +ATOM 1104 C GLY A 132 -11.239 -12.417 -38.009 1.00 30.35 C +ATOM 1105 O GLY A 132 -10.857 -11.264 -37.797 1.00 28.25 O +ATOM 1106 N ILE A 133 -11.572 -13.260 -37.027 1.00 25.82 N +ATOM 1107 CA ILE A 133 -11.446 -12.896 -35.631 1.00 31.87 C +ATOM 1108 CB ILE A 133 -12.849 -12.743 -34.957 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -12.801 -11.670 -33.873 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -13.755 -11.894 -32.709 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -13.388 -14.072 -34.425 1.00 34.59 C +ATOM 1112 C ILE A 133 -10.533 -13.937 -34.951 1.00 32.43 C +ATOM 1113 O ILE A 133 -10.728 -15.152 -35.095 1.00 27.54 O +ATOM 1114 N TYR A 134 -9.509 -13.450 -34.241 1.00 29.47 N +ATOM 1115 CA TYR A 134 -8.621 -14.312 -33.448 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.613 -15.040 -34.350 1.00 25.02 C +ATOM 1117 CG TYR A 134 -6.583 -14.107 -34.925 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -6.905 -13.253 -35.990 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -5.964 -12.382 -36.519 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -4.686 -12.353 -35.977 1.00 37.28 C +ATOM 1121 OH TYR A 134 -3.757 -11.496 -36.505 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -4.340 -13.187 -34.925 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -5.282 -14.058 -34.406 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.893 -13.491 -32.383 1.00 22.78 C +ATOM 1125 O TYR A 134 -7.861 -12.269 -32.433 1.00 15.53 O +ATOM 1126 N LEU A 135 -7.321 -14.186 -31.401 1.00 20.92 N +ATOM 1127 CA LEU A 135 -6.534 -13.553 -30.353 1.00 20.28 C +ATOM 1128 CB LEU A 135 -7.028 -14.004 -28.972 1.00 17.40 C +ATOM 1129 CG LEU A 135 -6.514 -13.174 -27.803 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -6.937 -11.714 -27.899 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -6.991 -13.780 -26.499 1.00 18.34 C +ATOM 1132 C LEU A 135 -5.079 -13.948 -30.614 1.00 19.49 C +ATOM 1133 O LEU A 135 -4.699 -15.108 -30.433 1.00 21.86 O +ATOM 1134 N GLN A 136 -4.276 -12.980 -31.071 1.00 18.05 N +ATOM 1135 CA GLN A 136 -2.855 -13.180 -31.288 1.00 17.10 C +ATOM 1136 CB GLN A 136 -2.180 -11.867 -31.778 1.00 26.31 C +ATOM 1137 CG GLN A 136 -0.952 -12.070 -32.666 1.00 39.12 C +ATOM 1138 CD GLN A 136 -0.347 -10.782 -33.262 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -0.448 -10.549 -34.470 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 0.308 -9.969 -32.432 1.00 44.72 N +ATOM 1141 C GLN A 136 -2.223 -13.730 -29.975 1.00 11.77 C +ATOM 1142 O GLN A 136 -2.556 -13.291 -28.867 1.00 9.83 O +ATOM 1143 N ARG A 137 -1.373 -14.744 -30.132 1.00 9.13 N +ATOM 1144 CA ARG A 137 -0.495 -15.314 -29.111 1.00 9.26 C +ATOM 1145 CB ARG A 137 0.800 -15.704 -29.813 1.00 9.45 C +ATOM 1146 CG ARG A 137 0.732 -17.014 -30.553 1.00 7.99 C +ATOM 1147 CD ARG A 137 2.071 -17.263 -31.200 1.00 8.29 C +ATOM 1148 NE ARG A 137 2.145 -18.649 -31.559 1.00 7.81 N +ATOM 1149 CZ ARG A 137 3.209 -19.239 -32.033 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 4.332 -18.584 -32.246 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 3.140 -20.517 -32.283 1.00 7.93 N +ATOM 1152 C ARG A 137 -0.118 -14.402 -27.957 1.00 9.30 C +ATOM 1153 O ARG A 137 -0.435 -14.651 -26.786 1.00 7.70 O +ATOM 1154 N GLY A 138 0.580 -13.320 -28.306 1.00 10.91 N +ATOM 1155 CA GLY A 138 0.953 -12.307 -27.356 1.00 11.21 C +ATOM 1156 C GLY A 138 -0.191 -11.922 -26.484 1.00 11.70 C +ATOM 1157 O GLY A 138 -0.146 -12.069 -25.278 1.00 13.34 O +ATOM 1158 N LEU A 139 -1.253 -11.407 -27.097 1.00 14.08 N +ATOM 1159 CA LEU A 139 -2.358 -10.968 -26.318 1.00 18.01 C +ATOM 1160 CB LEU A 139 -3.413 -10.202 -27.144 1.00 28.25 C +ATOM 1161 CG LEU A 139 -3.097 -8.723 -27.426 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -2.734 -7.993 -26.140 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -1.984 -8.573 -28.462 1.00 43.14 C +ATOM 1164 C LEU A 139 -2.990 -12.082 -25.544 1.00 12.45 C +ATOM 1165 O LEU A 139 -3.573 -11.814 -24.510 1.00 12.20 O +ATOM 1166 N ILE A 140 -2.946 -13.317 -26.056 1.00 12.62 N +ATOM 1167 CA ILE A 140 -3.577 -14.387 -25.291 1.00 18.00 C +ATOM 1168 CB ILE A 140 -3.993 -15.656 -26.067 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -4.476 -16.800 -25.100 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -5.674 -16.528 -24.162 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -2.887 -16.154 -26.946 1.00 31.26 C +ATOM 1172 C ILE A 140 -2.757 -14.716 -24.071 1.00 14.01 C +ATOM 1173 O ILE A 140 -3.339 -15.009 -23.034 1.00 12.52 O +ATOM 1174 N ILE A 141 -1.424 -14.601 -24.169 1.00 10.25 N +ATOM 1175 CA ILE A 141 -0.623 -14.664 -22.963 1.00 9.31 C +ATOM 1176 CB ILE A 141 0.851 -14.452 -23.248 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 1.394 -15.732 -23.874 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 1.207 -16.942 -22.980 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 1.590 -13.997 -21.975 1.00 8.46 C +ATOM 1180 C ILE A 141 -1.130 -13.647 -21.932 1.00 8.65 C +ATOM 1181 O ILE A 141 -1.367 -13.995 -20.758 1.00 8.01 O +ATOM 1182 N APHE A 142 -1.343 -12.405 -22.369 0.58 7.17 N +ATOM 1184 CA APHE A 142 -1.687 -11.367 -21.429 0.58 6.50 C +ATOM 1186 CB APHE A 142 -1.398 -9.987 -22.018 0.58 6.27 C +ATOM 1188 CG APHE A 142 0.062 -9.756 -22.301 0.58 6.80 C +ATOM 1190 CD1APHE A 142 0.992 -9.689 -21.258 0.58 6.62 C +ATOM 1192 CE1APHE A 142 2.325 -9.484 -21.517 0.58 5.81 C +ATOM 1194 CZ APHE A 142 2.756 -9.369 -22.811 0.58 6.29 C +ATOM 1196 CE2APHE A 142 1.872 -9.432 -23.855 0.58 5.97 C +ATOM 1198 CD2APHE A 142 0.539 -9.640 -23.610 0.58 6.58 C +ATOM 1200 C APHE A 142 -3.108 -11.565 -20.914 0.58 7.08 C +ATOM 1202 O APHE A 142 -3.420 -11.250 -19.736 0.58 6.64 O +ATOM 1204 N ALA A 143 -3.977 -12.135 -21.761 1.00 7.18 N +ATOM 1205 CA ALA A 143 -5.318 -12.461 -21.313 1.00 7.45 C +ATOM 1206 CB ALA A 143 -6.216 -12.928 -22.456 1.00 8.30 C +ATOM 1207 C ALA A 143 -5.228 -13.538 -20.247 1.00 8.58 C +ATOM 1208 O ALA A 143 -5.854 -13.469 -19.172 1.00 8.72 O +ATOM 1209 N LEU A 144 -4.415 -14.544 -20.548 1.00 8.93 N +ATOM 1210 CA LEU A 144 -4.227 -15.637 -19.654 1.00 10.41 C +ATOM 1211 CB LEU A 144 -3.434 -16.694 -20.373 1.00 9.30 C +ATOM 1212 CG LEU A 144 -3.244 -17.993 -19.619 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -4.554 -18.693 -19.277 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -2.320 -18.886 -20.458 1.00 12.97 C +ATOM 1215 C LEU A 144 -3.642 -15.190 -18.254 1.00 10.09 C +ATOM 1216 O LEU A 144 -4.113 -15.624 -17.197 1.00 9.09 O +ATOM 1217 N ILE A 145 -2.651 -14.296 -18.264 1.00 9.56 N +ATOM 1218 CA ILE A 145 -2.120 -13.727 -17.030 1.00 9.18 C +ATOM 1219 CB ILE A 145 -0.899 -12.811 -17.336 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 0.327 -13.638 -17.742 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 1.454 -12.817 -18.303 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -0.486 -11.987 -16.141 1.00 9.74 C +ATOM 1223 C ILE A 145 -3.228 -12.977 -16.242 1.00 10.93 C +ATOM 1224 O ILE A 145 -3.312 -13.092 -15.021 1.00 9.25 O +ATOM 1225 N TRP A 146 -4.065 -12.209 -16.954 1.00 12.33 N +ATOM 1226 CA TRP A 146 -5.165 -11.463 -16.341 1.00 15.03 C +ATOM 1227 CB TRP A 146 -5.926 -10.645 -17.405 1.00 16.66 C +ATOM 1228 CG TRP A 146 -6.656 -9.479 -16.799 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.021 -9.261 -16.742 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -8.269 -8.080 -16.061 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -7.069 -7.536 -15.674 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -6.043 -8.385 -16.126 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -4.705 -8.038 -15.866 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -4.440 -6.866 -15.164 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -5.488 -6.042 -14.737 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -6.803 -6.364 -14.977 1.00 32.56 C +ATOM 1237 C TRP A 146 -6.123 -12.422 -15.606 1.00 13.29 C +ATOM 1238 O TRP A 146 -6.528 -12.190 -14.466 1.00 11.57 O +ATOM 1239 N ILE A 147 -6.422 -13.539 -16.260 1.00 12.37 N +ATOM 1240 CA ILE A 147 -7.304 -14.563 -15.705 1.00 13.81 C +ATOM 1241 CB ILE A 147 -7.634 -15.622 -16.786 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -8.498 -15.007 -17.903 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -8.600 -15.904 -19.118 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -8.363 -16.803 -16.192 1.00 13.86 C +ATOM 1245 C ILE A 147 -6.669 -15.201 -14.471 1.00 11.85 C +ATOM 1246 O ILE A 147 -7.312 -15.395 -13.473 1.00 11.58 O +ATOM 1247 N VAL A 148 -5.375 -15.519 -14.553 1.00 13.87 N +ATOM 1248 CA VAL A 148 -4.644 -16.047 -13.408 1.00 12.37 C +ATOM 1249 CB VAL A 148 -3.196 -16.394 -13.783 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -2.410 -16.828 -12.555 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -3.177 -17.526 -14.817 1.00 14.45 C +ATOM 1252 C VAL A 148 -4.671 -15.060 -12.224 1.00 12.18 C +ATOM 1253 O VAL A 148 -4.814 -15.468 -11.067 1.00 10.26 O +ATOM 1254 N ALA A 149 -4.504 -13.764 -12.515 1.00 12.37 N +ATOM 1255 CA ALA A 149 -4.485 -12.731 -11.482 1.00 13.92 C +ATOM 1256 CB ALA A 149 -4.332 -11.358 -12.103 1.00 12.52 C +ATOM 1257 C ALA A 149 -5.803 -12.783 -10.692 1.00 19.91 C +ATOM 1258 O ALA A 149 -5.806 -12.798 -9.442 1.00 18.95 O +ATOM 1259 N GLY A 150 -6.904 -12.810 -11.450 1.00 15.29 N +ATOM 1260 CA GLY A 150 -8.256 -12.875 -10.905 1.00 21.90 C +ATOM 1261 C GLY A 150 -8.462 -14.137 -10.087 1.00 21.19 C +ATOM 1262 O GLY A 150 -8.948 -14.061 -8.953 1.00 20.08 O +ATOM 1263 N TRP A 151 -8.021 -15.281 -10.620 1.00 14.25 N +ATOM 1264 CA TRP A 151 -8.285 -16.548 -9.971 1.00 16.10 C +ATOM 1265 CB TRP A 151 -7.849 -17.741 -10.846 1.00 21.32 C +ATOM 1266 CG TRP A 151 -8.320 -19.007 -10.245 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -7.578 -19.968 -9.604 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -8.394 -20.970 -9.142 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -9.698 -20.649 -9.435 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -9.687 -19.411 -10.128 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -10.910 -18.852 -10.556 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -12.084 -19.528 -10.276 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -12.068 -20.764 -9.582 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -10.892 -21.337 -9.155 1.00 47.28 C +ATOM 1275 C TRP A 151 -7.602 -16.632 -8.587 1.00 16.03 C +ATOM 1276 O TRP A 151 -8.180 -17.050 -7.605 1.00 20.42 O +ATOM 1277 N PHE A 152 -6.337 -16.236 -8.530 1.00 13.13 N +ATOM 1278 CA PHE A 152 -5.568 -16.298 -7.331 1.00 9.38 C +ATOM 1279 CB PHE A 152 -4.131 -16.685 -7.684 1.00 8.08 C +ATOM 1280 CG PHE A 152 -3.997 -18.078 -8.166 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -3.984 -19.115 -7.276 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -3.852 -20.424 -7.715 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -3.762 -20.691 -9.073 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -3.811 -19.642 -9.976 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -3.918 -18.345 -9.514 1.00 6.21 C +ATOM 1286 C PHE A 152 -5.635 -14.979 -6.574 1.00 9.61 C +ATOM 1287 O PHE A 152 -4.940 -14.804 -5.640 1.00 10.68 O +ATOM 1288 N ASP A 153 -6.525 -14.074 -6.975 1.00 15.13 N +ATOM 1289 CA ASP A 153 -6.747 -12.808 -6.286 1.00 18.45 C +ATOM 1290 CB ASP A 153 -7.506 -12.931 -4.933 1.00 27.46 C +ATOM 1291 CG ASP A 153 -8.097 -11.538 -4.468 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -8.341 -10.676 -5.365 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -8.270 -11.283 -3.243 1.00 24.69 O +ATOM 1294 C ASP A 153 -5.471 -12.050 -6.061 1.00 15.88 C +ATOM 1295 O ASP A 153 -5.151 -11.663 -4.951 1.00 13.39 O +ATOM 1296 N LEU A 154 -4.760 -11.785 -7.155 1.00 15.14 N +ATOM 1297 CA LEU A 154 -3.514 -11.056 -7.073 1.00 16.65 C +ATOM 1298 CB LEU A 154 -2.612 -11.488 -8.238 1.00 12.61 C +ATOM 1299 CG LEU A 154 -2.263 -12.991 -8.228 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -1.329 -13.348 -9.400 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -1.650 -13.412 -6.917 1.00 8.03 C +ATOM 1302 C LEU A 154 -3.761 -9.533 -6.979 1.00 17.35 C +ATOM 1303 O LEU A 154 -2.843 -8.766 -6.906 1.00 22.93 O +ATOM 1304 N PHE A 155 -5.027 -9.135 -6.885 1.00 24.98 N +ATOM 1305 CA PHE A 155 -5.470 -7.740 -6.884 1.00 33.79 C +ATOM 1306 CB PHE A 155 -6.689 -7.627 -7.772 1.00 27.67 C +ATOM 1307 CG PHE A 155 -6.377 -7.767 -9.235 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -5.379 -6.989 -9.829 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -5.117 -7.087 -11.181 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -5.853 -7.959 -11.966 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -6.850 -8.742 -11.391 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -7.114 -8.641 -10.031 1.00 34.21 C +ATOM 1313 C PHE A 155 -5.867 -7.217 -5.521 1.00 37.83 C +ATOM 1314 O PHE A 155 -5.827 -7.962 -4.538 1.00 28.41 O +ATOM 1315 N GLY A 156 -6.246 -5.927 -5.491 1.00 38.40 N +ATOM 1316 CA GLY A 156 -6.743 -5.242 -4.312 1.00 35.24 C +ATOM 1317 C GLY A 156 -7.885 -5.944 -3.584 1.00 26.60 C +ATOM 1318 O GLY A 156 -7.692 -6.539 -2.549 1.00 47.21 O +ATOM 1319 N MET A 157 -9.090 -5.860 -4.128 1.00 24.95 N +ATOM 1320 CA MET A 157 -10.263 -6.349 -3.437 1.00 28.59 C +ATOM 1321 CB MET A 157 -11.453 -5.410 -3.658 1.00 39.60 C +ATOM 1322 CG MET A 157 -12.231 -5.493 -4.980 1.00 47.28 C +ATOM 1323 SD MET A 157 -13.973 -4.938 -4.761 1.00 49.14 S +ATOM 1324 CE MET A 157 -13.735 -3.291 -4.057 1.00 47.84 C +ATOM 1325 C MET A 157 -10.567 -7.774 -3.852 1.00 26.25 C +ATOM 1326 O MET A 157 -9.877 -8.309 -4.675 1.00 24.50 O +ATOM 1327 N SER A 158 -11.611 -8.377 -3.270 1.00 24.79 N +ATOM 1328 CA SER A 158 -12.082 -9.692 -3.678 1.00 25.23 C +ATOM 1329 CB SER A 158 -13.214 -10.140 -2.787 1.00 32.87 C +ATOM 1330 OG SER A 158 -12.793 -10.084 -1.468 1.00 32.23 O +ATOM 1331 C SER A 158 -12.558 -9.746 -5.137 1.00 23.56 C +ATOM 1332 O SER A 158 -13.095 -8.784 -5.698 1.00 17.24 O +ATOM 1333 N MET A 159 -12.343 -10.901 -5.756 1.00 22.08 N +ATOM 1334 CA MET A 159 -12.718 -11.084 -7.133 1.00 24.12 C +ATOM 1335 CB MET A 159 -11.666 -11.937 -7.868 1.00 30.07 C +ATOM 1336 CG MET A 159 -10.327 -11.232 -8.061 1.00 25.31 C +ATOM 1337 SD MET A 159 -10.370 -9.941 -9.302 1.00 33.07 S +ATOM 1338 CE MET A 159 -10.441 -8.513 -8.200 1.00 33.31 C +ATOM 1339 C MET A 159 -14.078 -11.753 -7.142 1.00 18.37 C +ATOM 1340 O MET A 159 -14.401 -12.579 -6.280 1.00 14.74 O +ATOM 1341 N ALA A 160 -14.892 -11.390 -8.128 1.00 17.85 N +ATOM 1342 CA ALA A 160 -16.168 -12.063 -8.337 1.00 14.05 C +ATOM 1343 CB ALA A 160 -17.110 -11.125 -9.115 1.00 15.78 C +ATOM 1344 C ALA A 160 -15.809 -13.324 -9.119 1.00 12.19 C +ATOM 1345 O ALA A 160 -15.754 -13.298 -10.337 1.00 12.07 O +ATOM 1346 N ASN A 161 -15.521 -14.414 -8.398 1.00 13.53 N +ATOM 1347 CA ASN A 161 -15.058 -15.658 -9.016 1.00 19.51 C +ATOM 1348 CB ASN A 161 -14.528 -16.665 -8.008 1.00 17.89 C +ATOM 1349 CG ASN A 161 -13.295 -16.164 -7.275 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -13.261 -16.174 -6.051 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -12.284 -15.727 -8.010 1.00 23.40 N +ATOM 1352 C ASN A 161 -16.148 -16.328 -9.836 1.00 17.15 C +ATOM 1353 O ASN A 161 -15.869 -16.893 -10.893 1.00 12.86 O +ATOM 1354 N GLY A 162 -17.392 -16.188 -9.377 1.00 13.45 N +ATOM 1355 CA GLY A 162 -18.525 -16.754 -10.078 1.00 13.72 C +ATOM 1356 C GLY A 162 -18.781 -16.015 -11.358 1.00 11.46 C +ATOM 1357 O GLY A 162 -18.979 -16.632 -12.372 1.00 13.83 O +ATOM 1358 N ALA A 163 -18.791 -14.680 -11.304 1.00 12.52 N +ATOM 1359 CA ALA A 163 -18.925 -13.882 -12.512 1.00 12.63 C +ATOM 1360 CB ALA A 163 -18.895 -12.381 -12.225 1.00 14.33 C +ATOM 1361 C ALA A 163 -17.818 -14.238 -13.510 1.00 15.22 C +ATOM 1362 O ALA A 163 -18.060 -14.217 -14.715 1.00 15.81 O +ATOM 1363 N HIS A 164 -16.588 -14.476 -13.023 1.00 16.26 N +ATOM 1364 CA HIS A 164 -15.468 -14.737 -13.942 1.00 13.79 C +ATOM 1365 CB HIS A 164 -14.120 -14.688 -13.243 1.00 13.42 C +ATOM 1366 CG HIS A 164 -13.655 -13.301 -12.946 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -12.754 -13.016 -11.946 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -12.510 -11.720 -11.927 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -13.262 -11.142 -12.844 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -13.988 -12.112 -13.497 1.00 16.05 C +ATOM 1371 C HIS A 164 -15.638 -16.055 -14.678 1.00 15.17 C +ATOM 1372 O HIS A 164 -15.452 -16.110 -15.904 1.00 9.69 O +ATOM 1373 N ILE A 165 -15.983 -17.106 -13.918 1.00 14.29 N +ATOM 1374 CA ILE A 165 -16.095 -18.444 -14.444 1.00 16.34 C +ATOM 1375 CB ILE A 165 -16.367 -19.507 -13.357 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -15.286 -19.530 -12.295 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -15.763 -20.142 -10.977 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -16.426 -20.898 -13.977 1.00 25.23 C +ATOM 1379 C ILE A 165 -17.276 -18.459 -15.421 1.00 13.49 C +ATOM 1380 O ILE A 165 -17.173 -18.978 -16.511 1.00 14.19 O +ATOM 1381 N ALA A 166 -18.401 -17.872 -15.012 1.00 11.61 N +ATOM 1382 CA ALA A 166 -19.587 -17.847 -15.836 1.00 12.97 C +ATOM 1383 CB ALA A 166 -20.725 -17.302 -15.030 1.00 13.37 C +ATOM 1384 C ALA A 166 -19.393 -17.069 -17.182 1.00 12.77 C +ATOM 1385 O ALA A 166 -19.821 -17.522 -18.243 1.00 16.05 O +ATOM 1386 N GLY A 167 -18.704 -15.935 -17.124 1.00 11.83 N +ATOM 1387 CA GLY A 167 -18.468 -15.080 -18.274 1.00 12.25 C +ATOM 1388 C GLY A 167 -17.572 -15.815 -19.252 1.00 16.57 C +ATOM 1389 O GLY A 167 -17.886 -15.913 -20.432 1.00 15.94 O +ATOM 1390 N LEU A 168 -16.481 -16.396 -18.740 1.00 16.37 N +ATOM 1391 CA LEU A 168 -15.550 -17.161 -19.584 1.00 18.66 C +ATOM 1392 CB LEU A 168 -14.395 -17.743 -18.762 1.00 16.91 C +ATOM 1393 CG LEU A 168 -13.295 -18.532 -19.496 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -12.674 -17.710 -20.624 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -12.235 -18.914 -18.477 1.00 18.17 C +ATOM 1396 C LEU A 168 -16.306 -18.303 -20.287 1.00 17.50 C +ATOM 1397 O LEU A 168 -16.173 -18.465 -21.486 1.00 15.54 O +ATOM 1398 N ALA A 169 -17.095 -19.065 -19.514 1.00 15.54 N +ATOM 1399 CA ALA A 169 -17.919 -20.149 -20.029 1.00 19.82 C +ATOM 1400 CB ALA A 169 -18.741 -20.769 -18.908 1.00 20.15 C +ATOM 1401 C ALA A 169 -18.851 -19.703 -21.155 1.00 17.04 C +ATOM 1402 O ALA A 169 -18.967 -20.373 -22.157 1.00 18.40 O +ATOM 1403 N VAL A 170 -19.549 -18.585 -20.943 1.00 16.33 N +ATOM 1404 CA VAL A 170 -20.476 -18.047 -21.933 1.00 15.30 C +ATOM 1405 CB VAL A 170 -21.156 -16.777 -21.399 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 -21.754 -15.942 -22.516 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 -22.234 -17.140 -20.438 1.00 17.75 C +ATOM 1408 C VAL A 170 -19.749 -17.738 -23.264 1.00 12.50 C +ATOM 1409 O VAL A 170 -20.235 -18.076 -24.332 1.00 15.58 O +ATOM 1410 N GLY A 171 -18.588 -17.095 -23.165 1.00 12.65 N +ATOM 1411 CA GLY A 171 -17.770 -16.739 -24.302 1.00 12.55 C +ATOM 1412 C GLY A 171 -17.355 -17.965 -25.110 1.00 12.05 C +ATOM 1413 O GLY A 171 -17.502 -18.021 -26.329 1.00 10.67 O +ATOM 1414 N LEU A 172 -16.791 -18.948 -24.411 1.00 12.60 N +ATOM 1415 CA LEU A 172 -16.343 -20.188 -25.033 1.00 10.75 C +ATOM 1416 CB LEU A 172 -15.728 -21.126 -24.001 1.00 10.43 C +ATOM 1417 CG LEU A 172 -14.402 -20.604 -23.405 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -13.891 -21.583 -22.350 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -13.297 -20.267 -24.398 1.00 9.57 C +ATOM 1420 C LEU A 172 -17.500 -20.878 -25.753 1.00 10.15 C +ATOM 1421 O LEU A 172 -17.354 -21.344 -26.876 1.00 11.39 O +ATOM 1422 N ALA A 173 -18.661 -20.902 -25.100 1.00 11.33 N +ATOM 1423 CA ALA A 173 -19.839 -21.608 -25.573 1.00 11.38 C +ATOM 1424 CB ALA A 173 -20.878 -21.715 -24.445 1.00 11.60 C +ATOM 1425 C ALA A 173 -20.454 -20.953 -26.806 1.00 10.08 C +ATOM 1426 O ALA A 173 -20.920 -21.632 -27.696 1.00 6.75 O +ATOM 1427 N MET A 174 -20.518 -19.618 -26.803 1.00 11.63 N +ATOM 1428 CA MET A 174 -20.998 -18.894 -27.960 1.00 11.25 C +ATOM 1429 CB MET A 174 -21.244 -17.431 -27.629 1.00 12.02 C +ATOM 1430 CG MET A 174 -22.491 -17.213 -26.769 1.00 15.32 C +ATOM 1431 SD MET A 174 -22.652 -15.460 -26.317 1.00 15.04 S +ATOM 1432 CE MET A 174 -23.567 -14.852 -27.762 1.00 12.84 C +ATOM 1433 C MET A 174 -20.051 -19.042 -29.156 1.00 11.07 C +ATOM 1434 O MET A 174 -20.509 -19.108 -30.327 1.00 9.35 O +ATOM 1435 N ALA A 175 -18.741 -19.094 -28.864 1.00 11.79 N +ATOM 1436 CA ALA A 175 -17.715 -19.291 -29.891 1.00 11.52 C +ATOM 1437 CB ALA A 175 -16.307 -19.138 -29.304 1.00 12.52 C +ATOM 1438 C ALA A 175 -17.893 -20.652 -30.563 1.00 10.15 C +ATOM 1439 O ALA A 175 -17.836 -20.754 -31.767 1.00 9.36 O +ATOM 1440 N PHE A 176 -18.119 -21.676 -29.737 1.00 10.78 N +ATOM 1441 CA PHE A 176 -18.413 -23.045 -30.134 1.00 11.72 C +ATOM 1442 CB PHE A 176 -18.642 -23.920 -28.884 1.00 14.22 C +ATOM 1443 CG PHE A 176 -18.909 -25.340 -29.204 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -17.870 -26.236 -29.315 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -18.116 -27.543 -29.660 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -19.408 -27.968 -29.904 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 -20.453 -27.086 -29.800 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 -20.200 -25.775 -29.451 1.00 23.15 C +ATOM 1449 C PHE A 176 -19.637 -23.109 -31.031 1.00 11.73 C +ATOM 1450 O PHE A 176 -19.594 -23.676 -32.137 1.00 11.14 O +ATOM 1451 N VAL A 177 -20.732 -22.514 -30.553 1.00 10.67 N +ATOM 1452 CA VAL A 177 -21.972 -22.474 -31.299 1.00 11.71 C +ATOM 1453 CB VAL A 177 -23.124 -21.816 -30.475 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 -24.351 -21.503 -31.364 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 -23.500 -22.709 -29.270 1.00 16.83 C +ATOM 1456 C VAL A 177 -21.757 -21.749 -32.628 1.00 8.91 C +ATOM 1457 O VAL A 177 -22.110 -22.269 -33.632 1.00 6.73 O +ATOM 1458 N ASP A 178 -21.140 -20.562 -32.602 1.00 9.91 N +ATOM 1459 CA ASP A 178 -20.860 -19.807 -33.830 1.00 10.55 C +ATOM 1460 CB ASP A 178 -20.314 -18.443 -33.541 1.00 9.42 C +ATOM 1461 CG ASP A 178 -21.311 -17.551 -32.848 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 -22.482 -17.969 -32.724 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 -20.942 -16.404 -32.443 1.00 9.20 O +ATOM 1464 C ASP A 178 -19.914 -20.516 -34.810 1.00 11.79 C +ATOM 1465 O ASP A 178 -19.980 -20.263 -36.008 1.00 11.79 O +ATOM 1466 N SER A 179 -19.083 -21.427 -34.293 1.00 15.85 N +ATOM 1467 CA SER A 179 -18.131 -22.198 -35.089 1.00 17.77 C +ATOM 1468 CB SER A 179 -17.040 -22.742 -34.190 1.00 18.19 C +ATOM 1469 OG SER A 179 -16.232 -21.704 -33.711 1.00 25.24 O +ATOM 1470 C SER A 179 -18.751 -23.394 -35.791 1.00 25.25 C +ATOM 1471 O SER A 179 -18.105 -24.032 -36.648 1.00 25.62 O +ATOM 1472 N LEU A 180 -19.975 -23.760 -35.399 1.00 26.63 N +ATOM 1473 CA LEU A 180 -20.624 -24.883 -36.046 1.00 29.49 C +ATOM 1474 CB LEU A 180 -21.762 -25.421 -35.188 1.00 27.08 C +ATOM 1475 CG LEU A 180 -21.310 -26.146 -33.923 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 -22.537 -26.576 -33.144 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 -20.447 -27.352 -34.239 1.00 25.61 C +ATOM 1478 C LEU A 180 -21.059 -24.472 -37.466 1.00 36.61 C +ATOM 1479 O LEU A 180 -20.985 -25.292 -38.408 1.00 32.04 O +ATOM 1480 N ASN A 181 -21.451 -23.195 -37.611 1.00 38.78 N +ATOM 1481 CA ASN A 181 -21.787 -22.589 -38.906 1.00 54.97 C +ATOM 1482 CB ASN A 181 -22.483 -21.225 -38.728 1.00 67.37 C +ATOM 1483 CG ASN A 181 -23.631 -21.253 -37.711 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 -24.784 -21.543 -38.050 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 -23.319 -20.910 -36.463 1.00 60.66 N +ATOM 1486 C ASN A 181 -20.538 -22.395 -39.803 1.00 76.54 C +ATOM 1487 O ASN A 181 -19.536 -21.785 -39.371 1.00 63.45 O +ATOM 1488 N ALA A 182 -20.624 -22.914 -41.042 1.00 63.44 N +ATOM 1489 CA ALA A 182 -19.555 -22.886 -42.054 1.00 54.25 C +ATOM 1490 CB ALA A 182 -19.493 -21.529 -42.745 1.00 52.80 C +ATOM 1491 C ALA A 182 -18.185 -23.263 -41.489 1.00 57.61 C +ATOM 1492 O ALA A 182 -18.081 -24.122 -40.612 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/TMRs.gff3 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/TMRs.gff3 new file mode 100644 index 0000000..d5a22b3 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/TMRs.gff3 @@ -0,0 +1,16 @@ +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/deeptmhmm_results.md b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/deeptmhmm_results.md new file mode 100644 index 0000000..a8d131c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/deeptmhmm_results.md @@ -0,0 +1,32 @@ +## DeepTMHMM - Predictions +Predicted topologies can be downloaded in [.gff3 format](TMRs.gff3) and [.3line format](predicted_topologies.3line) +![picture](plot.png) +You can download the probabilities used to generate this plot [here](input_probs.csv) +### Predicted Topologies +``` +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII + +``` + + +``` +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 + +``` diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/input_probs.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/input_probs.csv new file mode 100644 index 0000000..dcaeb2b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/input_probs.csv @@ -0,0 +1,184 @@ +# input +#AA,Beta,Periplasm,Membrane,Inside,Outside,Signal +0 E,0.0,0.0,0.0,0.99942,0.00023,0.0 +1 R,0.0,0.0,0.00018,0.99921,0.00023,0.0 +2 A,0.0,0.0,0.01323,0.98618,0.00019,0.0 +3 G,0.0,0.0,0.10431,0.89527,2e-05,0.0 +4 P,0.0,0.0,0.47862,0.52095,0.0,0.0 +5 V,0.0,0.0,0.85568,0.14391,0.0,0.0 +6 T,0.0,0.0,0.90611,0.09348,0.0,0.0 +7 W,0.0,0.0,0.98479,0.0148,0.0,0.0 +8 V,0.0,0.0,0.99921,0.00038,0.0,0.0 +9 M,0.0,0.0,0.99955,3e-05,0.0,0.0 +10 M,0.0,0.0,0.99958,0.0,0.0,0.0 +11 I,0.0,0.0,0.99957,0.0,0.0,0.0 +12 A,0.0,0.0,0.99955,0.0,0.0,0.0 +13 C,0.0,0.0,0.99933,0.00021,0.0,0.0 +14 V,0.0,0.0,0.9995,2e-05,0.0,0.0 +15 V,0.0,0.0,0.99953,0.0,0.0,0.0 +16 V,0.0,0.0,0.99953,0.0,0.0,0.0 +17 F,0.0,0.0,0.99953,0.0,0.0,0.0 +18 I,0.0,0.0,0.99954,0.0,0.0,0.0 +19 A,0.0,0.0,0.99956,0.0,0.0,0.0 +20 M,0.0,0.0,0.99948,0.0,5e-05,0.0 +21 Q,0.0,0.0,0.99788,0.0,0.00164,0.0 +22 I,0.0,0.0,0.99017,0.0,0.00935,0.0 +23 L,0.0,0.0,0.86894,0.0,0.13061,0.0 +24 G,0.0,0.0,0.22113,0.0,0.7784,0.0 +25 D,0.0,0.0,0.00531,0.0,0.99422,0.0 +26 Q,0.0,0.0,4e-05,0.0,0.99948,0.0 +27 E,0.0,0.0,0.0,0.0,0.99954,0.0 +28 V,0.0,0.0,0.0,0.0,0.99954,0.0 +29 M,0.0,0.0,0.0,0.0,0.99957,0.0 +30 L,0.0,0.0,0.0,0.0,0.99957,0.0 +31 W,0.0,0.0,0.0,0.0,0.9996,0.0 +32 L,0.0,0.0,0.0,0.0,0.9996,0.0 +33 A,0.0,0.0,0.0,0.0,0.9996,0.0 +34 W,0.0,0.0,0.0,0.0,0.9996,0.0 +35 P,0.0,0.0,0.0,0.0,0.99963,0.0 +36 F,0.0,0.0,0.0,0.0,0.99963,0.0 +37 D,0.0,0.0,0.0,0.0,0.99966,0.0 +38 P,0.0,0.0,0.0,0.0,0.99966,0.0 +39 T,0.0,0.0,0.0,0.0,0.99969,0.0 +40 L,0.0,0.0,0.0,0.0,0.99969,0.0 +41 K,0.0,0.0,0.0,0.0,0.99969,0.0 +42 F,0.0,0.0,0.0,0.0,0.99969,0.0 +43 E,0.0,0.0,0.0,0.0,0.99969,0.0 +44 F,0.0,0.0,0.0,0.0,0.99973,0.0 +45 W,0.0,0.0,0.0,0.0,0.99976,0.0 +46 R,0.0,0.0,0.0,0.0,0.99976,0.0 +47 Y,0.0,0.0,3e-05,0.0,0.99973,0.0 +48 F,0.0,0.0,0.00047,0.0,0.99933,0.0 +49 T,0.0,0.0,0.00101,0.0,0.99878,0.0 +50 H,0.0,0.0,0.00757,0.0,0.99222,0.0 +51 A,0.0,0.0,0.82764,0.0,0.17215,0.0 +52 L,0.0,0.0,0.95624,0.0,0.04355,0.0 +53 M,0.0,0.0,0.99341,0.0,0.00638,0.0 +54 H,0.0,0.0,0.99423,0.0,0.00556,0.0 +55 F,0.0,0.0,0.99756,0.0,0.00223,0.0 +56 S,0.0,0.0,0.99919,0.0,0.00061,0.0 +57 L,0.0,0.0,0.99975,0.0,6e-05,0.0 +58 M,0.0,0.0,0.9998,0.0,1e-05,0.0 +59 H,0.0,0.0,0.99983,0.0,1e-05,0.0 +60 I,0.0,0.0,0.99982,0.0,0.0,0.0 +61 L,0.0,0.0,0.99983,0.0,0.0,0.0 +62 F,0.0,0.0,0.99984,0.0,0.0,0.0 +63 N,0.0,0.0,0.99985,0.0,0.0,0.0 +64 L,0.0,0.0,0.99985,0.0,0.0,0.0 +65 L,0.0,0.0,0.99985,0.0,0.0,0.0 +66 W,0.0,0.0,0.99985,0.0,0.0,0.0 +67 W,0.0,0.0,0.99984,0.0,0.0,0.0 +68 W,0.0,0.0,0.99986,0.0,0.0,0.0 +69 Y,0.0,0.0,0.99975,0.00012,0.0,0.0 +70 L,0.0,0.0,0.99906,0.00081,0.0,0.0 +71 G,0.0,0.0,0.96325,0.03665,0.0,0.0 +72 G,0.0,0.0,0.3354,0.66448,0.0,0.0 +73 A,0.0,0.0,0.1112,0.88869,0.0,0.0 +74 V,0.0,0.0,0.06311,0.93678,0.0,0.0 +75 E,0.0,0.0,0.00376,0.99613,0.0,0.0 +76 K,0.0,0.0,0.00011,0.99979,0.0,0.0 +77 R,0.0,0.0,0.00184,0.99805,0.0,0.0 +78 L,0.0,0.0,0.38413,0.61574,0.0,0.0 +79 G,0.0,0.0,0.47768,0.52219,0.0,0.0 +80 S,0.0,0.0,0.85069,0.14919,0.0,0.0 +81 G,0.0,0.0,0.965,0.03489,0.0,0.0 +82 K,0.0,0.0,0.98313,0.01673,0.0,0.0 +83 L,0.0,0.0,0.9996,0.00027,0.0,0.0 +84 I,0.0,0.0,0.99987,0.0,0.0,0.0 +85 V,0.0,0.0,0.99988,0.0,0.0,0.0 +86 I,0.0,0.0,0.99988,0.0,0.0,0.0 +87 T,0.0,0.0,0.99989,0.0,0.0,0.0 +88 L,0.0,0.0,0.99988,0.0,0.0,0.0 +89 I,0.0,0.0,0.9999,0.0,0.0,0.0 +90 S,0.0,0.0,0.9999,0.0,0.0,0.0 +91 A,0.0,0.0,0.9999,0.0,0.0,0.0 +92 L,0.0,0.0,0.9999,0.0,0.0,0.0 +93 L,0.0,0.0,0.99989,0.0,1e-05,0.0 +94 S,0.0,0.0,0.99981,0.0,9e-05,0.0 +95 G,0.0,0.0,0.9998,0.0,9e-05,0.0 +96 Y,0.0,0.0,0.99941,0.0,0.00048,0.0 +97 V,0.0,0.0,0.99939,0.0,0.00051,0.0 +98 Q,0.0,0.0,0.93936,0.0,0.06053,0.0 +99 Q,0.0,0.0,0.24375,0.0,0.75613,0.0 +100 K,0.0,0.0,0.03911,0.0,0.96078,0.0 +101 F,0.0,0.0,0.98924,0.0,0.01066,0.0 +102 S,0.0,0.0,0.99245,0.0,0.00745,0.0 +103 G,0.0,0.0,0.99699,0.0,0.00291,0.0 +104 P,0.0,0.0,0.99648,0.0,0.00342,0.0 +105 W,0.0,0.0,0.99983,0.0,7e-05,0.0 +106 F,0.0,0.0,0.99986,0.0,1e-05,0.0 +107 G,0.0,0.0,0.99925,0.0,0.00065,0.0 +108 G,0.0,0.0,0.9998,0.0,8e-05,0.0 +109 L,0.0,0.0,0.9999,0.0,1e-05,0.0 +110 S,0.0,0.0,0.99953,1e-05,0.00035,0.0 +111 G,0.0,0.0,0.99985,2e-05,2e-05,0.0 +112 V,0.0,0.0,0.99989,0.0,0.0,0.0 +113 V,0.0,0.0,0.99988,0.0,0.0,0.0 +114 Y,0.0,0.0,0.99988,0.0,0.0,0.0 +115 A,0.0,0.0,0.99988,0.0,0.0,0.0 +116 L,0.0,0.0,0.99987,0.0,0.0,0.0 +117 M,0.0,0.0,0.99987,1e-05,0.0,0.0 +118 G,0.0,0.0,0.99981,7e-05,0.0,0.0 +119 Y,0.0,0.0,0.99732,0.00256,0.0,0.0 +120 V,0.0,0.0,0.99158,0.0083,0.0,0.0 +121 W,0.0,0.0,0.93268,0.0672,0.0,0.0 +122 L,0.0,0.0,0.15644,0.84342,3e-05,0.0 +123 R,0.0,0.0,0.00317,0.99665,4e-05,0.0 +124 G,0.0,0.0,0.00106,0.99878,4e-05,0.0 +125 E,0.0,0.0,1e-05,0.99982,4e-05,0.0 +126 R,0.0,0.0,0.0,0.99982,4e-05,0.0 +127 D,0.0,0.0,0.0,0.99982,4e-05,0.0 +128 P,0.0,0.0,0.0,0.99982,4e-05,0.0 +129 Q,0.0,0.0,6e-05,0.99976,4e-05,0.0 +130 S,0.0,0.0,0.00693,0.99288,4e-05,0.0 +131 G,0.0,0.0,0.05276,0.94707,4e-05,0.0 +132 I,0.0,0.0,0.8213,0.17857,1e-05,0.0 +133 Y,0.0,0.0,0.9559,0.04397,0.0,0.0 +134 L,0.0,0.0,0.9974,0.00247,0.0,0.0 +135 Q,0.0,0.0,0.99838,0.0015,0.0,0.0 +136 R,0.0,0.0,0.9993,0.00058,0.0,0.0 +137 G,0.0,0.0,0.99986,1e-05,0.0,0.0 +138 L,0.0,0.0,0.99986,0.0,0.0,0.0 +139 I,0.0,0.0,0.99987,0.0,0.0,0.0 +140 I,0.0,0.0,0.99988,0.0,0.0,0.0 +141 F,0.0,0.0,0.99987,0.0,0.0,0.0 +142 A,0.0,0.0,0.99988,0.0,0.0,0.0 +143 L,0.0,0.0,0.99989,0.0,0.0,0.0 +144 I,0.0,0.0,0.99986,0.0,0.0,0.0 +145 W,0.0,0.0,0.9999,0.0,0.0,0.0 +146 I,0.0,0.0,0.9999,0.0,0.0,0.0 +147 V,0.0,0.0,0.9999,0.0,0.0,0.0 +148 A,0.0,0.0,0.99993,0.0,0.0,0.0 +149 G,0.0,0.0,0.99993,0.0,0.0,0.0 +150 W,0.0,0.0,0.99993,0.0,0.0,0.0 +151 F,0.0,0.0,0.99995,0.0,0.0,0.0 +152 D,0.0,0.0,0.99972,0.0,0.00024,0.0 +153 L,0.0,0.0,0.99628,0.0,0.00365,0.0 +154 F,0.0,0.0,0.94253,0.0,0.05742,0.0 +155 G,0.0,0.0,0.03863,4e-05,0.96128,0.0 +156 M,0.0,0.0,0.008,4e-05,0.99192,0.0 +157 S,0.0,0.0,0.00504,4e-05,0.99486,0.0 +158 M,0.0,0.0,0.11294,4e-05,0.88695,0.0 +159 A,0.0,0.0,0.87755,0.0,0.12238,0.0 +160 N,0.0,0.0,0.96141,0.0,0.03852,0.0 +161 G,0.0,0.0,0.99314,0.0,0.00677,0.0 +162 A,0.0,0.0,0.99957,0.0,0.00033,0.0 +163 H,0.0,0.0,0.9999,0.0,1e-05,0.0 +164 I,0.0,0.0,0.99991,0.0,0.0,0.0 +165 A,0.0,0.0,0.99989,0.0,0.0,0.0 +166 G,0.0,0.0,0.99989,0.0,0.0,0.0 +167 L,0.0,0.0,0.9999,0.0,0.0,0.0 +168 A,0.0,0.0,0.99989,0.0,0.0,0.0 +169 V,0.0,0.0,0.99987,4e-05,0.0,0.0 +170 G,0.0,0.0,0.9997,0.0002,0.0,0.0 +171 L,0.0,0.0,0.99991,0.0,0.0,0.0 +172 A,0.0,0.0,0.99991,0.0,0.0,0.0 +173 M,0.0,0.0,0.99992,0.0,0.0,0.0 +174 A,0.0,0.0,0.99992,0.0,0.0,0.0 +175 F,0.0,0.0,0.99984,9e-05,0.0,0.0 +176 V,0.0,0.0,0.99651,0.00345,0.0,0.0 +177 D,0.0,0.0,0.82865,0.1713,0.0,0.0 +178 S,0.0,0.0,0.68727,0.31267,0.0,0.0 +179 L,0.0,0.0,0.48774,0.5122,1e-05,0.0 +180 N,0.0,0.0,0.17987,0.82007,4e-05,0.0 +181 A,0.0,0.0,0.0,0.99973,0.00028,0.0 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/predicted_topologies.3line b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/predicted_topologies.3line new file mode 100644 index 0000000..98389e8 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/predicted_topologies.3line @@ -0,0 +1,3 @@ +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/query.fasta b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/query.fasta new file mode 100644 index 0000000..07711f2 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/A/query.fasta @@ -0,0 +1,2 @@ +> input +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A.span new file mode 100644 index 0000000..e93c5af --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A.span @@ -0,0 +1,10 @@ +manual-generated spanfile from DeepTMHMM +6 182 +antiparallel +n2c + 6 24 + 52 72 + 79 99 + 102 122 + 133 155 + 160 180 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json new file mode 100644 index 0000000..d3e8679 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json @@ -0,0 +1,184 @@ +{ + "1": "true", + "2": "true", + "3": "true", + "4": "true", + "5": "true", + "6": "true", + "7": "true", + "8": "true", + "9": "true", + "10": "false", + "11": "true", + "12": "true", + "13": "true", + "14": "false", + "15": "true", + "16": "true", + "17": "false", + "18": "true", + "19": "true", + "20": "true", + "21": "false", + "22": "false", + "23": "false", + "24": "false", + "25": "false", + "26": "false", + "27": "false", + "28": "false", + "29": 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"true", + "91": "false", + "92": "true", + "93": "true", + "94": "true", + "95": "true", + "96": "true", + "97": "true", + "98": "true", + "99": "false", + "100": "true", + "101": "true", + "102": "true", + "103": "false", + "104": "false", + "105": "false", + "106": "false", + "107": "false", + "108": "false", + "109": "false", + "110": "false", + "111": "false", + "112": "false", + "113": "true", + "114": "false", + "115": "false", + "116": "true", + "117": "false", + "118": "true", + "119": "true", + "120": "false", + "121": "true", + "122": "true", + "123": "true", + "124": "false", + "125": "true", + "126": "true", + "127": "false", + "128": "false", + "129": "false", + "130": "false", + "131": "false", + "132": "false", + "133": "false", + "134": "true", + "135": "true", + "136": "true", + "137": "true", + "138": "true", + "139": "false", + "140": "true", + "141": "true", + "142": "true", + "143": "true", + "144": "true", + "145": "true", + "146": "false", + "147": "true", + "148": "true", + "149": "true", + "150": "true", + "151": "true", + "152": "true", + "153": "true", + "154": "true", + "155": "false", + "156": "false", + "157": "false", + "158": "false", + "159": "true", + "160": "false", + "161": "true", + "162": "true", + "163": "false", + "164": "true", + "165": "true", + "166": "true", + "167": "false", + "168": "true", + "169": "true", + "170": "true", + "171": "false", + "172": "true", + "173": "true", + "174": "true", + "175": "true", + "176": "true", + "177": "true", + "178": "false", + "179": "false", + "180": "false", + "181": "false", + "182": "false" +} \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/score.sc b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/score.sc new file mode 100644 index 0000000..474a884 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/score.sc @@ -0,0 +1,3 @@ +SEQUENCE: +SCORE: total_score description +SCORE: 0.000 superposed_struc_0001 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/superposed_struc_0001.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/superposed_struc_0001.pdb new file mode 100644 index 0000000..25bbb1a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/superposed_struc_0001.pdb @@ -0,0 +1,2927 @@ +HEADER XXXX +EXPDTA THEORETICAL MODEL +REMARK 220 +REMARK 220 EXPERIMENTAL DETAILS +REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING +REMARK 220 DATE OF DATA COLLECTION : +REMARK 220 +REMARK 220 REMARK: MODEL GENERATED BY ROSETTA +REMARK 220 +ATOM 1 N GLU A 1 4.380 17.924 -15.176 1.00 50.00 N +ATOM 2 CA GLU A 1 3.896 17.224 -13.952 1.00 50.00 C +ATOM 3 C GLU A 1 4.267 15.736 -13.951 1.00 50.00 C +ATOM 4 O GLU A 1 5.331 15.372 -14.468 1.00 50.00 O +ATOM 5 CB GLU A 1 2.388 17.408 -13.815 1.00 50.00 C +ATOM 6 CG GLU A 1 1.872 17.441 -12.391 1.00 50.00 C +ATOM 7 CD GLU A 1 0.404 17.742 -12.405 1.00 50.00 C +ATOM 8 OE1 GLU A 1 -0.368 16.783 -12.568 1.00 50.00 O +ATOM 9 OE2 GLU A 1 0.018 18.929 -12.304 1.00 50.00 O +ATOM 10 1H GLU A 1 4.117 18.888 -15.135 1.00 50.00 H +ATOM 11 2H GLU A 1 5.376 17.852 -15.230 1.00 50.00 H +ATOM 12 3H GLU A 1 3.972 17.502 -15.985 1.00 50.00 H +ATOM 13 HA GLU A 1 4.388 17.665 -13.084 1.00 50.00 H +ATOM 14 1HB GLU A 1 2.090 18.341 -14.293 1.00 50.00 H +ATOM 15 2HB GLU A 1 1.874 16.597 -14.331 1.00 50.00 H +ATOM 16 1HG GLU A 1 2.063 16.475 -11.924 1.00 50.00 H +ATOM 17 2HG GLU A 1 2.422 18.198 -11.834 1.00 50.00 H +ATOM 18 N ARG A 2 3.381 14.901 -13.386 1.00 50.00 N +ATOM 19 CA ARG A 2 3.672 13.516 -12.988 1.00 50.00 C +ATOM 20 C ARG A 2 2.450 12.956 -12.225 1.00 50.00 C +ATOM 21 O ARG A 2 1.747 12.086 -12.739 1.00 50.00 O +ATOM 22 CB ARG A 2 4.985 13.447 -12.152 1.00 50.00 C +ATOM 23 CG ARG A 2 5.153 12.281 -11.170 1.00 50.00 C +ATOM 24 CD ARG A 2 6.103 11.187 -11.647 1.00 50.00 C +ATOM 25 NE ARG A 2 5.685 9.836 -11.225 1.00 50.00 N +ATOM 26 CZ ARG A 2 6.224 8.706 -11.695 1.00 50.00 C +ATOM 27 NH1 ARG A 2 7.226 8.735 -12.586 1.00 50.00 N +ATOM 28 NH2 ARG A 2 5.783 7.532 -11.272 1.00 50.00 N +ATOM 29 H ARG A 2 2.454 15.273 -13.233 1.00 50.00 H +ATOM 30 HA ARG A 2 3.804 12.917 -13.890 1.00 50.00 H +ATOM 31 1HB ARG A 2 5.841 13.398 -12.823 1.00 50.00 H +ATOM 32 2HB ARG A 2 5.086 14.355 -11.558 1.00 50.00 H +ATOM 33 1HG ARG A 2 5.548 12.655 -10.225 1.00 50.00 H +ATOM 34 2HG ARG A 2 4.185 11.808 -10.997 1.00 50.00 H +ATOM 35 1HD ARG A 2 6.149 11.194 -12.736 1.00 50.00 H +ATOM 36 2HD ARG A 2 7.098 11.367 -11.241 1.00 50.00 H +ATOM 37 HE ARG A 2 4.946 9.766 -10.538 1.00 50.00 H +ATOM 38 1HH1 ARG A 2 7.586 9.621 -12.913 1.00 50.00 H +ATOM 39 2HH1 ARG A 2 7.621 7.872 -12.930 1.00 50.00 H +ATOM 40 1HH2 ARG A 2 5.037 7.488 -10.592 1.00 50.00 H +ATOM 41 2HH2 ARG A 2 6.192 6.681 -11.629 1.00 50.00 H +ATOM 42 N ALA A 3 2.206 13.477 -11.012 1.00 50.00 N +ATOM 43 CA ALA A 3 1.107 13.045 -10.131 1.00 50.00 C +ATOM 44 C ALA A 3 -0.306 13.473 -10.625 1.00 50.00 C +ATOM 45 O ALA A 3 -0.636 14.670 -10.594 1.00 50.00 O +ATOM 46 CB ALA A 3 1.329 13.583 -8.695 1.00 50.00 C +ATOM 47 H ALA A 3 2.826 14.211 -10.701 1.00 50.00 H +ATOM 48 HA ALA A 3 1.103 11.955 -10.104 1.00 50.00 H +ATOM 49 1HB ALA A 3 0.510 13.257 -8.054 1.00 50.00 H +ATOM 50 2HB ALA A 3 2.271 13.199 -8.304 1.00 50.00 H +ATOM 51 3HB ALA A 3 1.362 14.671 -8.716 1.00 50.00 H +ATOM 52 N GLY A 4 -1.124 12.494 -11.045 1.00 50.00 N +ATOM 53 CA GLY A 4 -2.550 12.686 -11.224 1.00 50.00 C +ATOM 54 C GLY A 4 -3.257 13.042 -9.911 1.00 50.00 C +ATOM 55 O GLY A 4 -2.664 13.030 -8.823 1.00 50.00 O +ATOM 56 H GLY A 4 -0.721 11.589 -11.242 1.00 50.00 H +ATOM 57 1HA GLY A 4 -2.722 13.481 -11.950 1.00 50.00 H +ATOM 58 2HA GLY A 4 -2.991 11.777 -11.632 1.00 50.00 H +ATOM 59 N PRO A 5 -4.579 13.320 -9.958 1.00 50.00 N +ATOM 60 CA PRO A 5 -5.304 13.785 -8.773 1.00 50.00 C +ATOM 61 C PRO A 5 -5.352 12.798 -7.634 1.00 50.00 C +ATOM 62 O PRO A 5 -5.394 13.220 -6.491 1.00 50.00 O +ATOM 63 CB PRO A 5 -6.734 14.059 -9.314 1.00 50.00 C +ATOM 64 CG PRO A 5 -6.807 13.269 -10.579 1.00 50.00 C +ATOM 65 CD PRO A 5 -5.430 13.190 -11.151 1.00 50.00 C +ATOM 66 HA PRO A 5 -4.840 14.712 -8.406 1.00 50.00 H +ATOM 67 1HB PRO A 5 -7.483 13.746 -8.572 1.00 50.00 H +ATOM 68 2HB PRO A 5 -6.874 15.138 -9.477 1.00 50.00 H +ATOM 69 1HG PRO A 5 -7.206 12.264 -10.377 1.00 50.00 H +ATOM 70 2HG PRO A 5 -7.499 13.749 -11.287 1.00 50.00 H +ATOM 71 1HD PRO A 5 -5.294 12.218 -11.648 1.00 50.00 H +ATOM 72 2HD PRO A 5 -5.280 14.015 -11.863 1.00 50.00 H +ATOM 73 N VAL A 6 -5.414 11.496 -7.922 1.00 50.00 N +ATOM 74 CA VAL A 6 -5.510 10.540 -6.832 1.00 50.00 C +ATOM 75 C VAL A 6 -4.162 10.478 -6.127 1.00 50.00 C +ATOM 76 O VAL A 6 -4.089 10.549 -4.900 1.00 50.00 O +ATOM 77 CB VAL A 6 -5.921 9.142 -7.312 1.00 50.00 C +ATOM 78 CG1 VAL A 6 -5.861 8.139 -6.165 1.00 50.00 C +ATOM 79 CG2 VAL A 6 -7.320 9.187 -7.929 1.00 50.00 C +ATOM 80 H VAL A 6 -5.396 11.157 -8.873 1.00 50.00 H +ATOM 81 HA VAL A 6 -6.272 10.887 -6.133 1.00 50.00 H +ATOM 82 HB VAL A 6 -5.206 8.800 -8.061 1.00 50.00 H +ATOM 83 1HG1 VAL A 6 -6.156 7.154 -6.527 1.00 50.00 H +ATOM 84 2HG1 VAL A 6 -4.844 8.092 -5.775 1.00 50.00 H +ATOM 85 3HG1 VAL A 6 -6.541 8.452 -5.372 1.00 50.00 H +ATOM 86 1HG2 VAL A 6 -7.601 8.190 -8.267 1.00 50.00 H +ATOM 87 2HG2 VAL A 6 -8.036 9.533 -7.183 1.00 50.00 H +ATOM 88 3HG2 VAL A 6 -7.322 9.871 -8.778 1.00 50.00 H +ATOM 89 N THR A 7 -3.084 10.375 -6.915 1.00 50.00 N +ATOM 90 CA THR A 7 -1.731 10.431 -6.338 1.00 50.00 C +ATOM 91 C THR A 7 -1.543 11.639 -5.413 1.00 50.00 C +ATOM 92 O THR A 7 -1.058 11.520 -4.300 1.00 50.00 O +ATOM 93 CB THR A 7 -0.664 10.439 -7.419 1.00 50.00 C +ATOM 94 OG1 THR A 7 -0.805 9.237 -8.216 1.00 50.00 O +ATOM 95 CG2 THR A 7 0.697 10.479 -6.726 1.00 50.00 C +ATOM 96 H THR A 7 -3.189 10.258 -7.913 1.00 50.00 H +ATOM 97 HA THR A 7 -1.581 9.545 -5.720 1.00 50.00 H +ATOM 98 HB THR A 7 -0.797 11.314 -8.055 1.00 50.00 H +ATOM 99 HG1 THR A 7 -1.537 8.714 -7.879 1.00 50.00 H +ATOM 100 1HG2 THR A 7 1.487 10.486 -7.476 1.00 50.00 H +ATOM 101 2HG2 THR A 7 0.768 11.379 -6.115 1.00 50.00 H +ATOM 102 3HG2 THR A 7 0.808 9.601 -6.091 1.00 50.00 H +ATOM 103 N TRP A 8 -2.027 12.792 -5.886 1.00 50.00 N +ATOM 104 CA TRP A 8 -1.882 14.073 -5.213 1.00 50.00 C +ATOM 105 C TRP A 8 -2.730 14.179 -3.951 1.00 50.00 C +ATOM 106 O TRP A 8 -2.261 14.618 -2.913 1.00 50.00 O +ATOM 107 CB TRP A 8 -2.279 15.132 -6.214 1.00 50.00 C +ATOM 108 CG TRP A 8 -2.343 16.504 -5.772 1.00 50.00 C +ATOM 109 CD1 TRP A 8 -3.405 17.341 -5.917 1.00 50.00 C +ATOM 110 CD2 TRP A 8 -1.300 17.284 -5.203 1.00 50.00 C +ATOM 111 NE1 TRP A 8 -3.101 18.583 -5.477 1.00 50.00 N +ATOM 112 CE2 TRP A 8 -1.811 18.586 -5.019 1.00 50.00 C +ATOM 113 CE3 TRP A 8 0.014 17.018 -4.829 1.00 50.00 C +ATOM 114 CZ2 TRP A 8 -1.049 19.632 -4.462 1.00 50.00 C +ATOM 115 CZ3 TRP A 8 0.765 18.044 -4.252 1.00 50.00 C +ATOM 116 CH2 TRP A 8 0.231 19.341 -4.087 1.00 50.00 C +ATOM 117 H TRP A 8 -2.521 12.752 -6.766 1.00 50.00 H +ATOM 118 HA TRP A 8 -0.839 14.195 -4.922 1.00 50.00 H +ATOM 119 1HB TRP A 8 -1.579 15.123 -7.050 1.00 50.00 H +ATOM 120 2HB TRP A 8 -3.267 14.904 -6.612 1.00 50.00 H +ATOM 121 HD1 TRP A 8 -4.371 17.056 -6.330 1.00 50.00 H +ATOM 122 HE1 TRP A 8 -3.723 19.379 -5.485 1.00 50.00 H +ATOM 123 HE3 TRP A 8 0.447 16.030 -4.981 1.00 50.00 H +ATOM 124 HZ2 TRP A 8 -1.453 20.636 -4.329 1.00 50.00 H +ATOM 125 HZ3 TRP A 8 1.781 17.815 -3.931 1.00 50.00 H +ATOM 126 HH2 TRP A 8 0.853 20.124 -3.653 1.00 50.00 H +ATOM 127 N VAL A 9 -4.004 13.821 -4.063 1.00 50.00 N +ATOM 128 CA VAL A 9 -4.901 14.010 -2.962 1.00 50.00 C +ATOM 129 C VAL A 9 -4.493 13.124 -1.778 1.00 50.00 C +ATOM 130 O VAL A 9 -4.557 13.548 -0.666 1.00 50.00 O +ATOM 131 CB VAL A 9 -6.384 13.867 -3.364 1.00 50.00 C +ATOM 132 CG1 VAL A 9 -7.269 13.721 -2.133 1.00 50.00 C +ATOM 133 CG2 VAL A 9 -6.809 15.081 -4.144 1.00 50.00 C +ATOM 134 H VAL A 9 -4.354 13.414 -4.919 1.00 50.00 H +ATOM 135 HA VAL A 9 -4.763 15.020 -2.573 1.00 50.00 H +ATOM 136 HB VAL A 9 -6.500 12.974 -3.979 1.00 50.00 H +ATOM 137 1HG1 VAL A 9 -8.310 13.621 -2.443 1.00 50.00 H +ATOM 138 2HG1 VAL A 9 -6.971 12.834 -1.574 1.00 50.00 H +ATOM 139 3HG1 VAL A 9 -7.162 14.603 -1.501 1.00 50.00 H +ATOM 140 1HG2 VAL A 9 -7.856 14.982 -4.430 1.00 50.00 H +ATOM 141 2HG2 VAL A 9 -6.683 15.972 -3.528 1.00 50.00 H +ATOM 142 3HG2 VAL A 9 -6.196 15.171 -5.041 1.00 50.00 H +ATOM 143 N MET A 10 -4.026 11.906 -2.046 1.00 0.00 N +ATOM 144 CA MET A 10 -3.566 11.054 -0.969 1.00 0.00 C +ATOM 145 C MET A 10 -2.351 11.684 -0.222 1.00 0.00 C +ATOM 146 O MET A 10 -2.227 11.526 1.010 1.00 0.00 O +ATOM 147 CB MET A 10 -3.181 9.713 -1.563 1.00 0.00 C +ATOM 148 CG MET A 10 -2.397 8.800 -0.624 1.00 0.00 C +ATOM 149 SD MET A 10 -3.393 8.267 0.783 1.00 0.00 S +ATOM 150 CE MET A 10 -4.545 7.153 0.009 1.00 0.00 C +ATOM 151 H MET A 10 -3.987 11.563 -2.995 1.00 0.00 H +ATOM 152 HA MET A 10 -4.382 10.923 -0.259 1.00 0.00 H +ATOM 153 1HB MET A 10 -4.080 9.180 -1.869 1.00 0.00 H +ATOM 154 2HB MET A 10 -2.574 9.871 -2.455 1.00 0.00 H +ATOM 155 1HG MET A 10 -2.060 7.920 -1.170 1.00 0.00 H +ATOM 156 2HG MET A 10 -1.519 9.328 -0.253 1.00 0.00 H +ATOM 157 1HE MET A 10 -5.222 6.749 0.762 1.00 0.00 H +ATOM 158 2HE MET A 10 -5.120 7.691 -0.746 1.00 0.00 H +ATOM 159 3HE MET A 10 -3.999 6.336 -0.464 1.00 0.00 H +ATOM 160 N MET A 11 -1.422 12.302 -0.986 1.00 50.00 N +ATOM 161 CA MET A 11 -0.214 12.978 -0.438 1.00 50.00 C +ATOM 162 C MET A 11 -0.629 14.143 0.459 1.00 50.00 C +ATOM 163 O MET A 11 -0.228 14.229 1.610 1.00 50.00 O +ATOM 164 CB MET A 11 0.704 13.470 -1.567 1.00 50.00 C +ATOM 165 CG MET A 11 1.428 12.320 -2.250 1.00 50.00 C +ATOM 166 SD MET A 11 2.386 12.677 -3.757 1.00 50.00 S +ATOM 167 CE MET A 11 3.976 13.088 -3.023 1.00 50.00 C +ATOM 168 H MET A 11 -1.572 12.295 -1.985 1.00 50.00 H +ATOM 169 HA MET A 11 0.340 12.260 0.166 1.00 50.00 H +ATOM 170 1HB MET A 11 0.114 14.011 -2.306 1.00 50.00 H +ATOM 171 2HB MET A 11 1.439 14.166 -1.161 1.00 50.00 H +ATOM 172 1HG MET A 11 2.137 11.872 -1.554 1.00 50.00 H +ATOM 173 2HG MET A 11 0.706 11.556 -2.539 1.00 50.00 H +ATOM 174 1HE MET A 11 4.688 13.335 -3.811 1.00 50.00 H +ATOM 175 2HE MET A 11 3.859 13.944 -2.357 1.00 50.00 H +ATOM 176 3HE MET A 11 4.346 12.234 -2.454 1.00 50.00 H +ATOM 177 N ILE A 12 -1.481 15.008 -0.083 1.00 50.00 N +ATOM 178 CA ILE A 12 -2.049 16.103 0.664 1.00 50.00 C +ATOM 179 C ILE A 12 -2.697 15.597 1.966 1.00 50.00 C +ATOM 180 O ILE A 12 -2.426 16.088 3.061 1.00 50.00 O +ATOM 181 CB ILE A 12 -3.100 16.825 -0.202 1.00 50.00 C +ATOM 182 CG1 ILE A 12 -2.401 17.671 -1.234 1.00 50.00 C +ATOM 183 CG2 ILE A 12 -4.029 17.681 0.651 1.00 50.00 C +ATOM 184 CD1 ILE A 12 -3.359 18.231 -2.287 1.00 50.00 C +ATOM 185 H ILE A 12 -1.736 14.889 -1.053 1.00 50.00 H +ATOM 186 HA ILE A 12 -1.251 16.802 0.914 1.00 50.00 H +ATOM 187 HB ILE A 12 -3.701 16.088 -0.735 1.00 50.00 H +ATOM 188 1HG1 ILE A 12 -1.895 18.501 -0.742 1.00 50.00 H +ATOM 189 2HG1 ILE A 12 -1.638 17.076 -1.736 1.00 50.00 H +ATOM 190 1HG2 ILE A 12 -4.758 18.177 0.010 1.00 50.00 H +ATOM 191 2HG2 ILE A 12 -4.549 17.048 1.369 1.00 50.00 H +ATOM 192 3HG2 ILE A 12 -3.445 18.431 1.184 1.00 50.00 H +ATOM 193 1HD1 ILE A 12 -2.800 18.832 -3.005 1.00 50.00 H +ATOM 194 2HD1 ILE A 12 -3.850 17.408 -2.807 1.00 50.00 H +ATOM 195 3HD1 ILE A 12 -4.110 18.853 -1.801 1.00 50.00 H +ATOM 196 N ALA A 13 -3.560 14.591 1.828 1.00 50.00 N +ATOM 197 CA ALA A 13 -4.288 14.023 2.939 1.00 50.00 C +ATOM 198 C ALA A 13 -3.364 13.479 4.025 1.00 50.00 C +ATOM 199 O ALA A 13 -3.597 13.728 5.185 1.00 50.00 O +ATOM 200 CB ALA A 13 -5.221 12.952 2.470 1.00 50.00 C +ATOM 201 H ALA A 13 -3.705 14.216 0.902 1.00 50.00 H +ATOM 202 HA ALA A 13 -4.873 14.818 3.402 1.00 50.00 H +ATOM 203 1HB ALA A 13 -5.759 12.538 3.323 1.00 50.00 H +ATOM 204 2HB ALA A 13 -5.934 13.375 1.762 1.00 50.00 H +ATOM 205 3HB ALA A 13 -4.652 12.162 1.983 1.00 50.00 H +ATOM 206 N CYS A 14 -2.306 12.756 3.632 1.00 0.00 N +ATOM 207 CA CYS A 14 -1.334 12.232 4.598 1.00 0.00 C +ATOM 208 C CYS A 14 -0.548 13.355 5.340 1.00 0.00 C +ATOM 209 O CYS A 14 -0.250 13.252 6.541 1.00 0.00 O +ATOM 210 CB CYS A 14 -0.343 11.275 3.893 1.00 0.00 C +ATOM 211 SG CYS A 14 -1.073 9.684 3.499 1.00 0.00 S +ATOM 212 H CYS A 14 -2.173 12.567 2.649 1.00 0.00 H +ATOM 213 HA CYS A 14 -1.874 11.676 5.365 1.00 0.00 H +ATOM 214 1HB CYS A 14 0.013 11.734 2.971 1.00 0.00 H +ATOM 215 2HB CYS A 14 0.524 11.113 4.533 1.00 0.00 H +ATOM 216 HG CYS A 14 0.015 9.167 2.937 1.00 0.00 H +ATOM 217 N VAL A 15 -0.234 14.425 4.607 1.00 50.00 N +ATOM 218 CA VAL A 15 0.485 15.525 5.184 1.00 50.00 C +ATOM 219 C VAL A 15 -0.390 16.273 6.189 1.00 50.00 C +ATOM 220 O VAL A 15 0.037 16.552 7.323 1.00 50.00 O +ATOM 221 CB VAL A 15 1.040 16.443 4.116 1.00 50.00 C +ATOM 222 CG1 VAL A 15 1.632 17.660 4.791 1.00 50.00 C +ATOM 223 CG2 VAL A 15 2.110 15.683 3.291 1.00 50.00 C +ATOM 224 H VAL A 15 -0.502 14.469 3.634 1.00 50.00 H +ATOM 225 HA VAL A 15 1.322 15.128 5.760 1.00 50.00 H +ATOM 226 HB VAL A 15 0.226 16.759 3.463 1.00 50.00 H +ATOM 227 1HG1 VAL A 15 2.037 18.334 4.036 1.00 50.00 H +ATOM 228 2HG1 VAL A 15 0.857 18.175 5.358 1.00 50.00 H +ATOM 229 3HG1 VAL A 15 2.430 17.350 5.465 1.00 50.00 H +ATOM 230 1HG2 VAL A 15 2.511 16.341 2.521 1.00 50.00 H +ATOM 231 2HG2 VAL A 15 2.917 15.361 3.950 1.00 50.00 H +ATOM 232 3HG2 VAL A 15 1.655 14.810 2.821 1.00 50.00 H +ATOM 233 N VAL A 16 -1.626 16.563 5.784 1.00 50.00 N +ATOM 234 CA VAL A 16 -2.582 17.233 6.681 1.00 50.00 C +ATOM 235 C VAL A 16 -2.791 16.412 7.975 1.00 50.00 C +ATOM 236 O VAL A 16 -2.794 16.962 9.062 1.00 50.00 O +ATOM 237 CB VAL A 16 -3.922 17.515 5.965 1.00 50.00 C +ATOM 238 CG1 VAL A 16 -4.978 17.959 6.944 1.00 50.00 C +ATOM 239 CG2 VAL A 16 -3.744 18.613 4.940 1.00 50.00 C +ATOM 240 H VAL A 16 -1.917 16.321 4.847 1.00 50.00 H +ATOM 241 HA VAL A 16 -2.154 18.187 6.992 1.00 50.00 H +ATOM 242 HB VAL A 16 -4.255 16.605 5.466 1.00 50.00 H +ATOM 243 1HG1 VAL A 16 -5.910 18.150 6.412 1.00 50.00 H +ATOM 244 2HG1 VAL A 16 -5.138 17.177 7.686 1.00 50.00 H +ATOM 245 3HG1 VAL A 16 -4.652 18.872 7.442 1.00 50.00 H +ATOM 246 1HG2 VAL A 16 -4.694 18.803 4.441 1.00 50.00 H +ATOM 247 2HG2 VAL A 16 -3.406 19.523 5.436 1.00 50.00 H +ATOM 248 3HG2 VAL A 16 -3.003 18.306 4.202 1.00 50.00 H +ATOM 249 N VAL A 17 -2.983 15.096 7.833 1.00 0.00 N +ATOM 250 CA VAL A 17 -3.165 14.255 8.981 1.00 0.00 C +ATOM 251 C VAL A 17 -1.902 14.258 9.886 1.00 0.00 C +ATOM 252 O VAL A 17 -2.006 14.339 11.091 1.00 0.00 O +ATOM 253 CB VAL A 17 -3.573 12.835 8.617 1.00 0.00 C +ATOM 254 CG1 VAL A 17 -3.614 11.951 9.893 1.00 0.00 C +ATOM 255 CG2 VAL A 17 -4.943 12.838 7.947 1.00 0.00 C +ATOM 256 H VAL A 17 -3.001 14.682 6.912 1.00 0.00 H +ATOM 257 HA VAL A 17 -3.961 14.676 9.596 1.00 0.00 H +ATOM 258 HB VAL A 17 -2.835 12.419 7.931 1.00 0.00 H +ATOM 259 1HG1 VAL A 17 -3.907 10.936 9.623 1.00 0.00 H +ATOM 260 2HG1 VAL A 17 -2.627 11.933 10.355 1.00 0.00 H +ATOM 261 3HG1 VAL A 17 -4.338 12.361 10.597 1.00 0.00 H +ATOM 262 1HG2 VAL A 17 -5.225 11.817 7.690 1.00 0.00 H +ATOM 263 2HG2 VAL A 17 -5.681 13.258 8.630 1.00 0.00 H +ATOM 264 3HG2 VAL A 17 -4.903 13.442 7.040 1.00 0.00 H +ATOM 265 N PHE A 18 -0.720 14.223 9.267 1.00 50.00 N +ATOM 266 CA PHE A 18 0.534 14.235 9.999 1.00 50.00 C +ATOM 267 C PHE A 18 0.682 15.508 10.834 1.00 50.00 C +ATOM 268 O PHE A 18 1.157 15.482 11.972 1.00 50.00 O +ATOM 269 CB PHE A 18 1.695 14.083 9.002 1.00 50.00 C +ATOM 270 CG PHE A 18 3.024 13.806 9.663 1.00 50.00 C +ATOM 271 CD1 PHE A 18 3.260 12.581 10.295 1.00 50.00 C +ATOM 272 CD2 PHE A 18 4.004 14.734 9.648 1.00 50.00 C +ATOM 273 CE1 PHE A 18 4.483 12.316 10.894 1.00 50.00 C +ATOM 274 CE2 PHE A 18 5.238 14.487 10.255 1.00 50.00 C +ATOM 275 CZ PHE A 18 5.472 13.275 10.892 1.00 50.00 C +ATOM 276 H PHE A 18 -0.700 14.187 8.258 1.00 50.00 H +ATOM 277 HA PHE A 18 0.539 13.392 10.692 1.00 50.00 H +ATOM 278 1HB PHE A 18 1.478 13.268 8.313 1.00 50.00 H +ATOM 279 2HB PHE A 18 1.789 14.994 8.412 1.00 50.00 H +ATOM 280 HD1 PHE A 18 2.470 11.830 10.313 1.00 50.00 H +ATOM 281 HD2 PHE A 18 3.823 15.687 9.149 1.00 50.00 H +ATOM 282 HE1 PHE A 18 4.660 11.350 11.365 1.00 50.00 H +ATOM 283 HE2 PHE A 18 6.018 15.248 10.229 1.00 50.00 H +ATOM 284 HZ PHE A 18 6.423 13.080 11.387 1.00 50.00 H +ATOM 285 N ILE A 19 0.304 16.648 10.243 1.00 50.00 N +ATOM 286 CA ILE A 19 0.315 17.917 10.917 1.00 50.00 C +ATOM 287 C ILE A 19 -0.627 17.906 12.134 1.00 50.00 C +ATOM 288 O ILE A 19 -0.251 18.322 13.255 1.00 50.00 O +ATOM 289 CB ILE A 19 -0.088 19.041 9.962 1.00 50.00 C +ATOM 290 CG1 ILE A 19 1.039 19.280 8.957 1.00 50.00 C +ATOM 291 CG2 ILE A 19 -0.337 20.329 10.731 1.00 50.00 C +ATOM 292 CD1 ILE A 19 0.719 20.346 7.925 1.00 50.00 C +ATOM 293 H ILE A 19 -0.001 16.604 9.281 1.00 50.00 H +ATOM 294 HA ILE A 19 1.326 18.111 11.272 1.00 50.00 H +ATOM 295 HB ILE A 19 -1.000 18.761 9.435 1.00 50.00 H +ATOM 296 1HG1 ILE A 19 1.943 19.577 9.488 1.00 50.00 H +ATOM 297 2HG1 ILE A 19 1.261 18.351 8.431 1.00 50.00 H +ATOM 298 1HG2 ILE A 19 -0.622 21.118 10.036 1.00 50.00 H +ATOM 299 2HG2 ILE A 19 -1.139 20.173 11.451 1.00 50.00 H +ATOM 300 3HG2 ILE A 19 0.572 20.620 11.257 1.00 50.00 H +ATOM 301 1HD1 ILE A 19 1.564 20.460 7.246 1.00 50.00 H +ATOM 302 2HD1 ILE A 19 -0.165 20.050 7.358 1.00 50.00 H +ATOM 303 3HD1 ILE A 19 0.528 21.293 8.428 1.00 50.00 H +ATOM 304 N ALA A 20 -1.846 17.415 11.914 1.00 50.00 N +ATOM 305 CA ALA A 20 -2.819 17.292 12.971 1.00 50.00 C +ATOM 306 C ALA A 20 -2.227 16.438 14.121 1.00 50.00 C +ATOM 307 O ALA A 20 -2.456 16.731 15.313 1.00 50.00 O +ATOM 308 CB ALA A 20 -4.076 16.643 12.443 1.00 50.00 C +ATOM 309 H ALA A 20 -2.094 17.121 10.980 1.00 50.00 H +ATOM 310 HA ALA A 20 -3.059 18.293 13.329 1.00 50.00 H +ATOM 311 1HB ALA A 20 -4.805 16.554 13.248 1.00 50.00 H +ATOM 312 2HB ALA A 20 -4.492 17.254 11.642 1.00 50.00 H +ATOM 313 3HB ALA A 20 -3.839 15.653 12.057 1.00 50.00 H +ATOM 314 N MET A 21 -1.519 15.355 13.754 1.00 0.00 N +ATOM 315 CA MET A 21 -0.931 14.472 14.711 1.00 0.00 C +ATOM 316 C MET A 21 0.149 15.212 15.504 1.00 0.00 C +ATOM 317 O MET A 21 0.309 14.980 16.707 1.00 0.00 O +ATOM 318 CB MET A 21 -0.375 13.217 14.019 1.00 0.00 C +ATOM 319 CG MET A 21 -1.422 12.329 13.402 1.00 0.00 C +ATOM 320 SD MET A 21 -0.788 10.889 12.514 1.00 0.00 S +ATOM 321 CE MET A 21 -0.317 9.895 13.939 1.00 0.00 C +ATOM 322 H MET A 21 -1.401 15.163 12.770 1.00 0.00 H +ATOM 323 HA MET A 21 -1.702 14.166 15.418 1.00 0.00 H +ATOM 324 1HB MET A 21 0.317 13.512 13.232 1.00 0.00 H +ATOM 325 2HB MET A 21 0.185 12.621 14.741 1.00 0.00 H +ATOM 326 1HG MET A 21 -2.088 11.957 14.180 1.00 0.00 H +ATOM 327 2HG MET A 21 -2.016 12.905 12.693 1.00 0.00 H +ATOM 328 1HE MET A 21 0.104 8.948 13.599 1.00 0.00 H +ATOM 329 2HE MET A 21 0.427 10.433 14.528 1.00 0.00 H +ATOM 330 3HE MET A 21 -1.196 9.701 14.554 1.00 0.00 H +ATOM 331 N GLN A 22 0.893 16.123 14.861 1.00 0.00 N +ATOM 332 CA GLN A 22 1.959 16.871 15.611 1.00 0.00 C +ATOM 333 C GLN A 22 1.379 17.897 16.603 1.00 0.00 C +ATOM 334 O GLN A 22 1.968 18.175 17.615 1.00 0.00 O +ATOM 335 CB GLN A 22 2.981 17.595 14.703 1.00 0.00 C +ATOM 336 CG GLN A 22 3.639 16.757 13.598 1.00 0.00 C +ATOM 337 CD GLN A 22 4.001 15.327 14.026 1.00 0.00 C +ATOM 338 OE1 GLN A 22 4.847 15.146 14.896 1.00 0.00 O +ATOM 339 NE2 GLN A 22 3.347 14.316 13.425 1.00 0.00 N +ATOM 340 H GLN A 22 0.752 16.318 13.880 1.00 0.00 H +ATOM 341 HA GLN A 22 2.521 16.159 16.215 1.00 0.00 H +ATOM 342 1HB GLN A 22 2.496 18.437 14.209 1.00 0.00 H +ATOM 343 2HB GLN A 22 3.790 17.996 15.313 1.00 0.00 H +ATOM 344 1HG GLN A 22 2.951 16.681 12.756 1.00 0.00 H +ATOM 345 2HG GLN A 22 4.561 17.247 13.285 1.00 0.00 H +ATOM 346 1HE2 GLN A 22 3.552 13.369 13.674 1.00 0.00 H +ATOM 347 2HE2 GLN A 22 2.656 14.511 12.729 1.00 0.00 H +ATOM 348 N ILE A 23 0.235 18.489 16.268 1.00 0.00 N +ATOM 349 CA ILE A 23 -0.402 19.500 17.090 1.00 0.00 C +ATOM 350 C ILE A 23 -1.135 18.835 18.247 1.00 0.00 C +ATOM 351 O ILE A 23 -0.964 19.180 19.397 1.00 0.00 O +ATOM 352 CB ILE A 23 -1.442 20.291 16.250 1.00 0.00 C +ATOM 353 CG1 ILE A 23 -0.745 21.081 15.118 1.00 0.00 C +ATOM 354 CG2 ILE A 23 -2.266 21.226 17.126 1.00 0.00 C +ATOM 355 CD1 ILE A 23 -1.715 21.559 14.046 1.00 0.00 C +ATOM 356 H ILE A 23 -0.201 18.214 15.400 1.00 0.00 H +ATOM 357 HA ILE A 23 0.363 20.190 17.444 1.00 0.00 H +ATOM 358 HB ILE A 23 -2.118 19.593 15.757 1.00 0.00 H +ATOM 359 1HG1 ILE A 23 -0.234 21.946 15.539 1.00 0.00 H +ATOM 360 2HG1 ILE A 23 0.012 20.452 14.648 1.00 0.00 H +ATOM 361 1HG2 ILE A 23 -2.984 21.765 16.508 1.00 0.00 H +ATOM 362 2HG2 ILE A 23 -2.799 20.645 17.877 1.00 0.00 H +ATOM 363 3HG2 ILE A 23 -1.605 21.939 17.620 1.00 0.00 H +ATOM 364 1HD1 ILE A 23 -1.168 22.107 13.278 1.00 0.00 H +ATOM 365 2HD1 ILE A 23 -2.211 20.699 13.594 1.00 0.00 H +ATOM 366 3HD1 ILE A 23 -2.460 22.213 14.496 1.00 0.00 H +ATOM 367 N LEU A 24 -1.986 17.867 17.909 1.00 0.00 N +ATOM 368 CA LEU A 24 -2.901 17.218 18.842 1.00 0.00 C +ATOM 369 C LEU A 24 -2.296 15.978 19.565 1.00 0.00 C +ATOM 370 O LEU A 24 -2.837 15.515 20.595 1.00 0.00 O +ATOM 371 CB LEU A 24 -4.114 16.779 18.051 1.00 0.00 C +ATOM 372 CG LEU A 24 -4.984 17.857 17.398 1.00 0.00 C +ATOM 373 CD1 LEU A 24 -6.171 17.214 16.670 1.00 0.00 C +ATOM 374 CD2 LEU A 24 -5.450 18.870 18.454 1.00 0.00 C +ATOM 375 H LEU A 24 -1.983 17.578 16.941 1.00 0.00 H +ATOM 376 HA LEU A 24 -3.191 17.942 19.602 1.00 0.00 H +ATOM 377 1HB LEU A 24 -3.785 16.122 17.247 1.00 0.00 H +ATOM 378 2HB LEU A 24 -4.772 16.212 18.709 1.00 0.00 H +ATOM 379 HG LEU A 24 -4.406 18.377 16.634 1.00 0.00 H +ATOM 380 1HD1 LEU A 24 -6.781 17.992 16.210 1.00 0.00 H +ATOM 381 2HD1 LEU A 24 -5.802 16.540 15.897 1.00 0.00 H +ATOM 382 3HD1 LEU A 24 -6.775 16.654 17.383 1.00 0.00 H +ATOM 383 1HD2 LEU A 24 -6.067 19.633 17.979 1.00 0.00 H +ATOM 384 2HD2 LEU A 24 -6.033 18.356 19.219 1.00 0.00 H +ATOM 385 3HD2 LEU A 24 -4.581 19.341 18.915 1.00 0.00 H +ATOM 386 N GLY A 25 -1.198 15.436 19.003 1.00 0.00 N +ATOM 387 CA GLY A 25 -0.608 14.199 19.465 1.00 0.00 C +ATOM 388 C GLY A 25 -1.221 13.054 18.677 1.00 0.00 C +ATOM 389 O GLY A 25 -2.352 13.112 18.194 1.00 0.00 O +ATOM 390 H GLY A 25 -0.775 15.922 18.225 1.00 0.00 H +ATOM 391 1HA GLY A 25 0.473 14.238 19.327 1.00 0.00 H +ATOM 392 2HA GLY A 25 -0.792 14.085 20.533 1.00 0.00 H +ATOM 393 N ASP A 26 -0.433 12.005 18.485 1.00 0.00 N +ATOM 394 CA ASP A 26 -0.871 10.810 17.752 1.00 0.00 C +ATOM 395 C ASP A 26 -2.169 10.166 18.258 1.00 0.00 C +ATOM 396 O ASP A 26 -3.030 9.777 17.474 1.00 0.00 O +ATOM 397 CB ASP A 26 0.221 9.755 17.815 1.00 0.00 C +ATOM 398 CG ASP A 26 1.487 10.154 17.034 1.00 0.00 C +ATOM 399 OD1 ASP A 26 1.530 11.258 16.388 1.00 0.00 O +ATOM 400 OD2 ASP A 26 2.457 9.359 17.127 1.00 0.00 O +ATOM 401 H ASP A 26 0.504 12.036 18.860 1.00 0.00 H +ATOM 402 HA ASP A 26 -1.044 11.086 16.711 1.00 0.00 H +ATOM 403 1HB ASP A 26 0.495 9.577 18.855 1.00 0.00 H +ATOM 404 2HB ASP A 26 -0.157 8.816 17.410 1.00 0.00 H +ATOM 405 N GLN A 27 -2.308 10.063 19.582 1.00 0.00 N +ATOM 406 CA GLN A 27 -3.384 9.248 20.141 1.00 0.00 C +ATOM 407 C GLN A 27 -4.771 9.943 20.007 1.00 0.00 C +ATOM 408 O GLN A 27 -5.788 9.276 19.857 1.00 0.00 O +ATOM 409 CB GLN A 27 -3.069 8.667 21.552 1.00 0.00 C +ATOM 410 CG GLN A 27 -2.099 9.373 22.514 1.00 0.00 C +ATOM 411 CD GLN A 27 -0.731 9.768 21.951 1.00 0.00 C +ATOM 412 OE1 GLN A 27 -0.422 10.937 21.882 1.00 0.00 O +ATOM 413 NE2 GLN A 27 0.085 8.792 21.565 1.00 0.00 N +ATOM 414 H GLN A 27 -1.677 10.542 20.209 1.00 0.00 H +ATOM 415 HA GLN A 27 -3.555 8.399 19.479 1.00 0.00 H +ATOM 416 1HB GLN A 27 -3.992 8.581 22.125 1.00 0.00 H +ATOM 417 2HB GLN A 27 -2.654 7.664 21.448 1.00 0.00 H +ATOM 418 1HG GLN A 27 -2.559 10.298 22.863 1.00 0.00 H +ATOM 419 2HG GLN A 27 -1.897 8.714 23.359 1.00 0.00 H +ATOM 420 1HE2 GLN A 27 0.987 9.012 21.192 1.00 0.00 H +ATOM 421 2HE2 GLN A 27 -0.202 7.838 21.647 1.00 0.00 H +ATOM 422 N GLU A 28 -4.787 11.282 20.022 1.00 0.00 N +ATOM 423 CA GLU A 28 -6.010 12.060 19.729 1.00 0.00 C +ATOM 424 C GLU A 28 -6.455 11.848 18.294 1.00 0.00 C +ATOM 425 O GLU A 28 -7.629 11.751 18.041 1.00 0.00 O +ATOM 426 CB GLU A 28 -5.778 13.542 19.958 1.00 0.00 C +ATOM 427 CG GLU A 28 -6.975 14.426 19.664 1.00 0.00 C +ATOM 428 CD GLU A 28 -8.185 14.081 20.490 1.00 0.00 C +ATOM 429 OE1 GLU A 28 -8.052 13.622 21.637 1.00 0.00 O +ATOM 430 OE2 GLU A 28 -9.284 14.276 19.987 1.00 0.00 O +ATOM 431 H GLU A 28 -3.932 11.773 20.241 1.00 0.00 H +ATOM 432 HA GLU A 28 -6.801 11.727 20.402 1.00 0.00 H +ATOM 433 1HB GLU A 28 -5.490 13.709 20.996 1.00 0.00 H +ATOM 434 2HB GLU A 28 -4.954 13.882 19.331 1.00 0.00 H +ATOM 435 1HG GLU A 28 -6.704 15.463 19.859 1.00 0.00 H +ATOM 436 2HG GLU A 28 -7.228 14.338 18.608 1.00 0.00 H +ATOM 437 N VAL A 29 -5.509 11.749 17.358 1.00 0.00 N +ATOM 438 CA VAL A 29 -5.840 11.493 15.970 1.00 0.00 C +ATOM 439 C VAL A 29 -6.256 10.032 15.741 1.00 0.00 C +ATOM 440 O VAL A 29 -7.239 9.780 15.040 1.00 0.00 O +ATOM 441 CB VAL A 29 -4.775 11.960 14.948 1.00 0.00 C +ATOM 442 CG1 VAL A 29 -5.242 11.694 13.503 1.00 0.00 C +ATOM 443 CG2 VAL A 29 -4.519 13.466 15.086 1.00 0.00 C +ATOM 444 H VAL A 29 -4.540 11.855 17.621 1.00 0.00 H +ATOM 445 HA VAL A 29 -6.757 12.031 15.728 1.00 0.00 H +ATOM 446 HB VAL A 29 -3.846 11.420 15.133 1.00 0.00 H +ATOM 447 1HG1 VAL A 29 -4.475 12.031 12.805 1.00 0.00 H +ATOM 448 2HG1 VAL A 29 -5.412 10.626 13.366 1.00 0.00 H +ATOM 449 3HG1 VAL A 29 -6.168 12.237 13.314 1.00 0.00 H +ATOM 450 1HG2 VAL A 29 -3.767 13.775 14.360 1.00 0.00 H +ATOM 451 2HG2 VAL A 29 -5.446 14.011 14.904 1.00 0.00 H +ATOM 452 3HG2 VAL A 29 -4.162 13.684 16.093 1.00 0.00 H +ATOM 453 N MET A 30 -5.529 9.072 16.313 1.00 0.00 N +ATOM 454 CA MET A 30 -6.003 7.663 16.364 1.00 0.00 C +ATOM 455 C MET A 30 -7.487 7.572 16.815 1.00 0.00 C +ATOM 456 O MET A 30 -8.307 6.837 16.193 1.00 0.00 O +ATOM 457 CB MET A 30 -5.146 6.823 17.311 1.00 0.00 C +ATOM 458 CG MET A 30 -3.627 6.664 16.947 1.00 0.00 C +ATOM 459 SD MET A 30 -3.356 5.058 16.224 1.00 0.00 S +ATOM 460 CE MET A 30 -3.938 5.514 14.643 1.00 0.00 C +ATOM 461 H MET A 30 -4.635 9.306 16.722 1.00 0.00 H +ATOM 462 HA MET A 30 -5.926 7.236 15.364 1.00 0.00 H +ATOM 463 1HB MET A 30 -5.180 7.254 18.311 1.00 0.00 H +ATOM 464 2HB MET A 30 -5.556 5.814 17.375 1.00 0.00 H +ATOM 465 1HG MET A 30 -3.338 7.445 16.245 1.00 0.00 H +ATOM 466 2HG MET A 30 -3.024 6.776 17.848 1.00 0.00 H +ATOM 467 1HE MET A 30 -3.875 4.658 13.971 1.00 0.00 H +ATOM 468 2HE MET A 30 -4.976 5.842 14.718 1.00 0.00 H +ATOM 469 3HE MET A 30 -3.328 6.329 14.251 1.00 0.00 H +ATOM 470 N LEU A 31 -7.860 8.332 17.856 1.00 0.00 N +ATOM 471 CA LEU A 31 -9.257 8.329 18.337 1.00 0.00 C +ATOM 472 C LEU A 31 -10.272 8.530 17.236 1.00 0.00 C +ATOM 473 O LEU A 31 -11.346 7.927 17.248 1.00 0.00 O +ATOM 474 CB LEU A 31 -9.547 9.420 19.330 1.00 0.00 C +ATOM 475 CG LEU A 31 -9.151 9.271 20.772 1.00 0.00 C +ATOM 476 CD1 LEU A 31 -10.012 10.277 21.515 1.00 0.00 C +ATOM 477 CD2 LEU A 31 -9.364 7.871 21.316 1.00 0.00 C +ATOM 478 H LEU A 31 -7.181 8.917 18.322 1.00 0.00 H +ATOM 479 HA LEU A 31 -9.449 7.379 18.835 1.00 0.00 H +ATOM 480 1HB LEU A 31 -9.057 10.333 18.996 1.00 0.00 H +ATOM 481 2HB LEU A 31 -10.622 9.596 19.349 1.00 0.00 H +ATOM 482 HG LEU A 31 -8.093 9.507 20.885 1.00 0.00 H +ATOM 483 1HD1 LEU A 31 -9.785 10.234 22.580 1.00 0.00 H +ATOM 484 2HD1 LEU A 31 -9.805 11.280 21.141 1.00 0.00 H +ATOM 485 3HD1 LEU A 31 -11.064 10.041 21.359 1.00 0.00 H +ATOM 486 1HD2 LEU A 31 -9.056 7.836 22.362 1.00 0.00 H +ATOM 487 2HD2 LEU A 31 -10.419 7.607 21.239 1.00 0.00 H +ATOM 488 3HD2 LEU A 31 -8.770 7.162 20.739 1.00 0.00 H +ATOM 489 N TRP A 32 -9.943 9.398 16.288 1.00 0.00 N +ATOM 490 CA TRP A 32 -10.850 9.712 15.190 1.00 0.00 C +ATOM 491 C TRP A 32 -10.719 8.778 14.018 1.00 0.00 C +ATOM 492 O TRP A 32 -11.718 8.434 13.402 1.00 0.00 O +ATOM 493 CB TRP A 32 -10.691 11.187 14.746 1.00 0.00 C +ATOM 494 CG TRP A 32 -11.484 12.103 15.659 1.00 0.00 C +ATOM 495 CD1 TRP A 32 -11.206 12.385 16.969 1.00 0.00 C +ATOM 496 CD2 TRP A 32 -12.713 12.779 15.357 1.00 0.00 C +ATOM 497 NE1 TRP A 32 -12.167 13.210 17.492 1.00 0.00 N +ATOM 498 CE2 TRP A 32 -13.102 13.476 16.526 1.00 0.00 C +ATOM 499 CE3 TRP A 32 -13.511 12.888 14.205 1.00 0.00 C +ATOM 500 CZ2 TRP A 32 -14.259 14.279 16.579 1.00 0.00 C +ATOM 501 CZ3 TRP A 32 -14.661 13.689 14.258 1.00 0.00 C +ATOM 502 CH2 TRP A 32 -15.018 14.374 15.442 1.00 0.00 C +ATOM 503 H TRP A 32 -9.042 9.853 16.327 1.00 0.00 H +ATOM 504 HA TRP A 32 -11.874 9.564 15.534 1.00 0.00 H +ATOM 505 1HB TRP A 32 -9.636 11.462 14.768 1.00 0.00 H +ATOM 506 2HB TRP A 32 -11.036 11.297 13.718 1.00 0.00 H +ATOM 507 HD1 TRP A 32 -10.345 12.008 17.518 1.00 0.00 H +ATOM 508 HE1 TRP A 32 -12.186 13.566 18.437 1.00 0.00 H +ATOM 509 HE3 TRP A 32 -13.240 12.363 13.289 1.00 0.00 H +ATOM 510 HZ2 TRP A 32 -14.553 14.813 17.483 1.00 0.00 H +ATOM 511 HZ3 TRP A 32 -15.275 13.770 13.361 1.00 0.00 H +ATOM 512 HH2 TRP A 32 -15.918 14.990 15.449 1.00 0.00 H +ATOM 513 N LEU A 33 -9.479 8.392 13.685 1.00 50.00 N +ATOM 514 CA LEU A 33 -9.207 7.743 12.393 1.00 50.00 C +ATOM 515 C LEU A 33 -8.787 6.288 12.460 1.00 50.00 C +ATOM 516 O LEU A 33 -8.604 5.673 11.433 1.00 50.00 O +ATOM 517 CB LEU A 33 -8.145 8.508 11.654 1.00 50.00 C +ATOM 518 CG LEU A 33 -8.464 9.958 11.289 1.00 50.00 C +ATOM 519 CD1 LEU A 33 -7.269 10.537 10.548 1.00 50.00 C +ATOM 520 CD2 LEU A 33 -9.700 10.059 10.425 1.00 50.00 C +ATOM 521 H LEU A 33 -8.716 8.547 14.328 1.00 50.00 H +ATOM 522 HA LEU A 33 -10.123 7.749 11.804 1.00 50.00 H +ATOM 523 1HB LEU A 33 -7.241 8.523 12.261 1.00 50.00 H +ATOM 524 2HB LEU A 33 -7.924 7.985 10.724 1.00 50.00 H +ATOM 525 HG LEU A 33 -8.635 10.533 12.199 1.00 50.00 H +ATOM 526 1HD1 LEU A 33 -7.475 11.573 10.278 1.00 50.00 H +ATOM 527 2HD1 LEU A 33 -6.389 10.499 11.190 1.00 50.00 H +ATOM 528 3HD1 LEU A 33 -7.085 9.956 9.645 1.00 50.00 H +ATOM 529 1HD2 LEU A 33 -9.894 11.106 10.188 1.00 50.00 H +ATOM 530 2HD2 LEU A 33 -9.545 9.500 9.502 1.00 50.00 H +ATOM 531 3HD2 LEU A 33 -10.554 9.644 10.961 1.00 50.00 H +ATOM 532 N ALA A 34 -8.534 5.762 13.660 1.00 50.00 N +ATOM 533 CA ALA A 34 -8.021 4.404 13.776 1.00 50.00 C +ATOM 534 C ALA A 34 -9.134 3.407 13.437 1.00 50.00 C +ATOM 535 O ALA A 34 -10.314 3.716 13.567 1.00 50.00 O +ATOM 536 CB ALA A 34 -7.468 4.123 15.158 1.00 50.00 C +ATOM 537 H ALA A 34 -8.696 6.300 14.499 1.00 50.00 H +ATOM 538 HA ALA A 34 -7.211 4.285 13.056 1.00 50.00 H +ATOM 539 1HB ALA A 34 -7.096 3.099 15.200 1.00 50.00 H +ATOM 540 2HB ALA A 34 -6.652 4.814 15.371 1.00 50.00 H +ATOM 541 3HB ALA A 34 -8.256 4.253 15.898 1.00 50.00 H +ATOM 542 N TRP A 35 -8.729 2.233 12.978 1.00 50.00 N +ATOM 543 CA TRP A 35 -9.608 1.061 12.947 1.00 50.00 C +ATOM 544 C TRP A 35 -10.429 0.956 14.231 1.00 50.00 C +ATOM 545 O TRP A 35 -9.904 1.178 15.313 1.00 50.00 O +ATOM 546 CB TRP A 35 -8.734 -0.192 12.791 1.00 50.00 C +ATOM 547 CG TRP A 35 -9.532 -1.449 12.446 1.00 50.00 C +ATOM 548 CD1 TRP A 35 -10.184 -2.254 13.323 1.00 50.00 C +ATOM 549 CD2 TRP A 35 -9.720 -2.018 11.160 1.00 50.00 C +ATOM 550 NE1 TRP A 35 -10.734 -3.285 12.672 1.00 50.00 N +ATOM 551 CE2 TRP A 35 -10.501 -3.149 11.330 1.00 50.00 C +ATOM 552 CE3 TRP A 35 -9.316 -1.658 9.860 1.00 50.00 C +ATOM 553 CZ2 TRP A 35 -10.888 -3.970 10.254 1.00 50.00 C +ATOM 554 CZ3 TRP A 35 -9.708 -2.476 8.777 1.00 50.00 C +ATOM 555 CH2 TRP A 35 -10.459 -3.623 8.996 1.00 50.00 C +ATOM 556 H TRP A 35 -7.782 2.147 12.639 1.00 50.00 H +ATOM 557 HA TRP A 35 -10.276 1.152 12.091 1.00 50.00 H +ATOM 558 1HB TRP A 35 -7.997 -0.026 12.005 1.00 50.00 H +ATOM 559 2HB TRP A 35 -8.190 -0.373 13.717 1.00 50.00 H +ATOM 560 HD1 TRP A 35 -10.248 -2.083 14.396 1.00 50.00 H +ATOM 561 HE1 TRP A 35 -11.242 -4.047 13.098 1.00 50.00 H +ATOM 562 HE3 TRP A 35 -8.715 -0.765 9.693 1.00 50.00 H +ATOM 563 HZ2 TRP A 35 -11.509 -4.855 10.395 1.00 50.00 H +ATOM 564 HZ3 TRP A 35 -9.409 -2.190 7.768 1.00 50.00 H +ATOM 565 HH2 TRP A 35 -10.712 -4.261 8.149 1.00 50.00 H +ATOM 566 N PRO A 36 -11.730 0.584 14.186 1.00 0.00 N +ATOM 567 CA PRO A 36 -12.555 0.610 15.393 1.00 0.00 C +ATOM 568 C PRO A 36 -11.919 -0.174 16.508 1.00 0.00 C +ATOM 569 O PRO A 36 -11.621 -1.348 16.353 1.00 0.00 O +ATOM 570 CB PRO A 36 -13.848 -0.023 14.948 1.00 0.00 C +ATOM 571 CG PRO A 36 -13.873 0.181 13.474 1.00 0.00 C +ATOM 572 CD PRO A 36 -12.475 0.163 12.993 1.00 0.00 C +ATOM 573 HA PRO A 36 -12.717 1.654 15.698 1.00 0.00 H +ATOM 574 1HB PRO A 36 -13.863 -1.086 15.230 1.00 0.00 H +ATOM 575 2HB PRO A 36 -14.697 0.457 15.458 1.00 0.00 H +ATOM 576 1HG PRO A 36 -14.466 -0.610 12.991 1.00 0.00 H +ATOM 577 2HG PRO A 36 -14.361 1.137 13.231 1.00 0.00 H +ATOM 578 1HD PRO A 36 -12.208 -0.856 12.677 1.00 0.00 H +ATOM 579 2HD PRO A 36 -12.365 0.869 12.157 1.00 0.00 H +ATOM 580 N PHE A 37 -11.709 0.490 17.642 1.00 0.00 N +ATOM 581 CA PHE A 37 -11.047 -0.135 18.780 1.00 0.00 C +ATOM 582 C PHE A 37 -12.058 -0.385 19.865 1.00 0.00 C +ATOM 583 O PHE A 37 -11.730 -0.874 20.912 1.00 0.00 O +ATOM 584 CB PHE A 37 -9.874 0.733 19.285 1.00 0.00 C +ATOM 585 CG PHE A 37 -10.196 2.187 19.366 1.00 0.00 C +ATOM 586 CD1 PHE A 37 -10.808 2.706 20.488 1.00 0.00 C +ATOM 587 CD2 PHE A 37 -9.920 3.026 18.316 1.00 0.00 C +ATOM 588 CE1 PHE A 37 -11.117 4.042 20.567 1.00 0.00 C +ATOM 589 CE2 PHE A 37 -10.269 4.375 18.369 1.00 0.00 C +ATOM 590 CZ PHE A 37 -10.846 4.880 19.499 1.00 0.00 C +ATOM 591 H PHE A 37 -12.015 1.450 17.717 1.00 0.00 H +ATOM 592 HA PHE A 37 -10.649 -1.099 18.462 1.00 0.00 H +ATOM 593 1HB PHE A 37 -9.572 0.395 20.275 1.00 0.00 H +ATOM 594 2HB PHE A 37 -9.019 0.610 18.622 1.00 0.00 H +ATOM 595 HD1 PHE A 37 -11.046 2.042 21.320 1.00 0.00 H +ATOM 596 HD2 PHE A 37 -9.459 2.617 17.416 1.00 0.00 H +ATOM 597 HE1 PHE A 37 -11.575 4.442 21.471 1.00 0.00 H +ATOM 598 HE2 PHE A 37 -10.085 5.026 17.515 1.00 0.00 H +ATOM 599 HZ PHE A 37 -11.094 5.939 19.559 1.00 0.00 H +ATOM 600 N ASP A 38 -13.317 -0.080 19.576 1.00 0.00 N +ATOM 601 CA ASP A 38 -14.440 -0.339 20.475 1.00 0.00 C +ATOM 602 C ASP A 38 -15.632 -0.749 19.616 1.00 0.00 C +ATOM 603 O ASP A 38 -15.806 -0.193 18.530 1.00 0.00 O +ATOM 604 CB ASP A 38 -14.782 0.943 21.218 1.00 0.00 C +ATOM 605 CG ASP A 38 -15.622 0.687 22.435 1.00 0.00 C +ATOM 606 OD1 ASP A 38 -15.175 -0.114 23.275 1.00 0.00 O +ATOM 607 OD2 ASP A 38 -16.730 1.252 22.547 1.00 0.00 O +ATOM 608 H ASP A 38 -13.493 0.355 18.682 1.00 0.00 H +ATOM 609 HA ASP A 38 -14.140 -1.104 21.192 1.00 0.00 H +ATOM 610 1HB ASP A 38 -13.863 1.445 21.520 1.00 0.00 H +ATOM 611 2HB ASP A 38 -15.319 1.618 20.551 1.00 0.00 H +ATOM 612 N PRO A 39 -16.519 -1.669 20.078 1.00 0.00 N +ATOM 613 CA PRO A 39 -17.703 -2.053 19.293 1.00 0.00 C +ATOM 614 C PRO A 39 -18.590 -0.890 18.906 1.00 0.00 C +ATOM 615 O PRO A 39 -19.177 -0.896 17.826 1.00 0.00 O +ATOM 616 CB PRO A 39 -18.495 -2.966 20.235 1.00 0.00 C +ATOM 617 CG PRO A 39 -17.547 -3.359 21.311 1.00 0.00 C +ATOM 618 CD PRO A 39 -16.431 -2.373 21.375 1.00 0.00 C +ATOM 619 HA PRO A 39 -17.380 -2.608 18.400 1.00 0.00 H +ATOM 620 1HB PRO A 39 -19.370 -2.430 20.631 1.00 0.00 H +ATOM 621 2HB PRO A 39 -18.876 -3.837 19.682 1.00 0.00 H +ATOM 622 1HG PRO A 39 -18.068 -3.403 22.279 1.00 0.00 H +ATOM 623 2HG PRO A 39 -17.150 -4.367 21.118 1.00 0.00 H +ATOM 624 1HD PRO A 39 -16.595 -1.687 22.219 1.00 0.00 H +ATOM 625 2HD PRO A 39 -15.476 -2.906 21.489 1.00 0.00 H +ATOM 626 N THR A 40 -18.680 0.119 19.772 1.00 0.00 N +ATOM 627 CA THR A 40 -19.466 1.277 19.467 1.00 0.00 C +ATOM 628 C THR A 40 -18.961 2.073 18.240 1.00 0.00 C +ATOM 629 O THR A 40 -19.662 2.965 17.771 1.00 0.00 O +ATOM 630 CB THR A 40 -19.552 2.197 20.674 1.00 0.00 C +ATOM 631 OG1 THR A 40 -18.240 2.608 21.020 1.00 0.00 O +ATOM 632 CG2 THR A 40 -20.139 1.497 21.877 1.00 0.00 C +ATOM 633 H THR A 40 -18.192 0.074 20.655 1.00 0.00 H +ATOM 634 HA THR A 40 -20.473 0.952 19.205 1.00 0.00 H +ATOM 635 HB THR A 40 -20.180 3.055 20.434 1.00 0.00 H +ATOM 636 HG1 THR A 40 -17.610 2.210 20.414 1.00 0.00 H +ATOM 637 1HG2 THR A 40 -20.182 2.191 22.716 1.00 0.00 H +ATOM 638 2HG2 THR A 40 -21.145 1.149 21.641 1.00 0.00 H +ATOM 639 3HG2 THR A 40 -19.514 0.645 22.143 1.00 0.00 H +ATOM 640 N LEU A 41 -17.752 1.770 17.737 1.00 0.00 N +ATOM 641 CA LEU A 41 -17.169 2.499 16.607 1.00 0.00 C +ATOM 642 C LEU A 41 -17.318 1.730 15.295 1.00 0.00 C +ATOM 643 O LEU A 41 -16.887 2.193 14.234 1.00 0.00 O +ATOM 644 CB LEU A 41 -15.687 2.849 16.871 1.00 0.00 C +ATOM 645 CG LEU A 41 -15.388 3.530 18.256 1.00 0.00 C +ATOM 646 CD1 LEU A 41 -13.924 3.861 18.485 1.00 0.00 C +ATOM 647 CD2 LEU A 41 -16.212 4.793 18.453 1.00 0.00 C +ATOM 648 H LEU A 41 -17.231 1.013 18.156 1.00 0.00 H +ATOM 649 HA LEU A 41 -17.721 3.429 16.474 1.00 0.00 H +ATOM 650 1HB LEU A 41 -15.099 1.934 16.816 1.00 0.00 H +ATOM 651 2HB LEU A 41 -15.344 3.524 16.087 1.00 0.00 H +ATOM 652 HG LEU A 41 -15.627 2.836 19.062 1.00 0.00 H +ATOM 653 1HD1 LEU A 41 -13.805 4.327 19.463 1.00 0.00 H +ATOM 654 2HD1 LEU A 41 -13.334 2.945 18.446 1.00 0.00 H +ATOM 655 3HD1 LEU A 41 -13.581 4.548 17.712 1.00 0.00 H +ATOM 656 1HD2 LEU A 41 -15.977 5.233 19.422 1.00 0.00 H +ATOM 657 2HD2 LEU A 41 -15.978 5.507 17.663 1.00 0.00 H +ATOM 658 3HD2 LEU A 41 -17.273 4.545 18.415 1.00 0.00 H +ATOM 659 N LYS A 42 -17.942 0.548 15.380 1.00 50.00 N +ATOM 660 CA LYS A 42 -18.014 -0.378 14.280 1.00 50.00 C +ATOM 661 C LYS A 42 -18.741 0.239 13.083 1.00 50.00 C +ATOM 662 O LYS A 42 -18.416 -0.084 11.932 1.00 50.00 O +ATOM 663 CB LYS A 42 -18.664 -1.682 14.747 1.00 50.00 C +ATOM 664 CG LYS A 42 -20.158 -1.585 15.074 1.00 50.00 C +ATOM 665 CD LYS A 42 -20.649 -2.760 15.943 1.00 50.00 C +ATOM 666 CE LYS A 42 -21.816 -2.368 16.845 1.00 50.00 C +ATOM 667 NZ LYS A 42 -21.856 -3.217 18.084 1.00 50.00 N +ATOM 668 H LYS A 42 -18.378 0.304 16.258 1.00 50.00 H +ATOM 669 HA LYS A 42 -17.000 -0.588 13.938 1.00 50.00 H +ATOM 670 1HB LYS A 42 -18.547 -2.444 13.976 1.00 50.00 H +ATOM 671 2HB LYS A 42 -18.156 -2.042 15.642 1.00 50.00 H +ATOM 672 1HG LYS A 42 -20.354 -0.656 15.610 1.00 50.00 H +ATOM 673 2HG LYS A 42 -20.733 -1.578 14.149 1.00 50.00 H +ATOM 674 1HD LYS A 42 -20.970 -3.580 15.299 1.00 50.00 H +ATOM 675 2HD LYS A 42 -19.832 -3.114 16.572 1.00 50.00 H +ATOM 676 1HE LYS A 42 -21.719 -1.322 17.131 1.00 50.00 H +ATOM 677 2HE LYS A 42 -22.753 -2.487 16.300 1.00 50.00 H +ATOM 678 1HZ LYS A 42 -22.637 -2.936 18.660 1.00 50.00 H +ATOM 679 2HZ LYS A 42 -21.962 -4.188 17.824 1.00 50.00 H +ATOM 680 3HZ LYS A 42 -20.997 -3.099 18.601 1.00 50.00 H +ATOM 681 N PHE A 43 -19.681 1.164 13.347 1.00 50.00 N +ATOM 682 CA PHE A 43 -20.430 1.814 12.262 1.00 50.00 C +ATOM 683 C PHE A 43 -19.763 3.029 11.574 1.00 50.00 C +ATOM 684 O PHE A 43 -20.221 3.475 10.507 1.00 50.00 O +ATOM 685 CB PHE A 43 -21.829 2.142 12.752 1.00 50.00 C +ATOM 686 CG PHE A 43 -22.579 0.947 13.299 1.00 50.00 C +ATOM 687 CD1 PHE A 43 -22.980 -0.081 12.452 1.00 50.00 C +ATOM 688 CD2 PHE A 43 -22.897 0.862 14.650 1.00 50.00 C +ATOM 689 CE1 PHE A 43 -23.686 -1.176 12.929 1.00 50.00 C +ATOM 690 CE2 PHE A 43 -23.618 -0.228 15.143 1.00 50.00 C +ATOM 691 CZ PHE A 43 -24.001 -1.257 14.280 1.00 50.00 C +ATOM 692 H PHE A 43 -19.879 1.420 14.304 1.00 50.00 H +ATOM 693 HA PHE A 43 -20.495 1.120 11.422 1.00 50.00 H +ATOM 694 1HB PHE A 43 -21.772 2.896 13.536 1.00 50.00 H +ATOM 695 2HB PHE A 43 -22.411 2.564 11.934 1.00 50.00 H +ATOM 696 HD1 PHE A 43 -22.733 -0.024 11.392 1.00 50.00 H +ATOM 697 HD2 PHE A 43 -22.598 1.667 15.323 1.00 50.00 H +ATOM 698 HE1 PHE A 43 -23.990 -1.967 12.245 1.00 50.00 H +ATOM 699 HE2 PHE A 43 -23.883 -0.276 16.199 1.00 50.00 H +ATOM 700 HZ PHE A 43 -24.546 -2.119 14.663 1.00 50.00 H +ATOM 701 N GLU A 44 -18.646 3.498 12.149 1.00 50.00 N +ATOM 702 CA GLU A 44 -17.895 4.648 11.651 1.00 50.00 C +ATOM 703 C GLU A 44 -17.009 4.171 10.494 1.00 50.00 C +ATOM 704 O GLU A 44 -15.798 3.894 10.665 1.00 50.00 O +ATOM 705 CB GLU A 44 -17.134 5.288 12.812 1.00 50.00 C +ATOM 706 CG GLU A 44 -18.096 5.891 13.824 1.00 50.00 C +ATOM 707 CD GLU A 44 -17.460 6.557 15.048 1.00 50.00 C +ATOM 708 OE1 GLU A 44 -16.224 6.672 15.191 1.00 50.00 O +ATOM 709 OE2 GLU A 44 -18.231 6.970 15.938 1.00 50.00 O +ATOM 710 H GLU A 44 -18.318 3.016 12.974 1.00 50.00 H +ATOM 711 HA GLU A 44 -18.601 5.371 11.240 1.00 50.00 H +ATOM 712 1HB GLU A 44 -16.513 4.536 13.298 1.00 50.00 H +ATOM 713 2HB GLU A 44 -16.470 6.063 12.429 1.00 50.00 H +ATOM 714 1HG GLU A 44 -18.703 6.647 13.327 1.00 50.00 H +ATOM 715 2HG GLU A 44 -18.763 5.110 14.186 1.00 50.00 H +ATOM 716 N PHE A 45 -17.636 4.149 9.304 1.00 50.00 N +ATOM 717 CA PHE A 45 -17.180 3.464 8.081 1.00 50.00 C +ATOM 718 C PHE A 45 -15.781 3.828 7.630 1.00 50.00 C +ATOM 719 O PHE A 45 -15.035 2.979 7.132 1.00 50.00 O +ATOM 720 CB PHE A 45 -18.198 3.633 6.892 1.00 50.00 C +ATOM 721 CG PHE A 45 -18.453 5.081 6.457 1.00 50.00 C +ATOM 722 CD1 PHE A 45 -19.405 5.870 7.102 1.00 50.00 C +ATOM 723 CD2 PHE A 45 -17.758 5.642 5.381 1.00 50.00 C +ATOM 724 CE1 PHE A 45 -19.638 7.179 6.702 1.00 50.00 C +ATOM 725 CE2 PHE A 45 -17.988 6.951 4.990 1.00 50.00 C +ATOM 726 CZ PHE A 45 -18.931 7.717 5.647 1.00 50.00 C +ATOM 727 H PHE A 45 -18.504 4.665 9.284 1.00 50.00 H +ATOM 728 HA PHE A 45 -17.090 2.398 8.295 1.00 50.00 H +ATOM 729 1HB PHE A 45 -17.834 3.088 6.022 1.00 50.00 H +ATOM 730 2HB PHE A 45 -19.158 3.200 7.171 1.00 50.00 H +ATOM 731 HD1 PHE A 45 -19.972 5.448 7.933 1.00 50.00 H +ATOM 732 HD2 PHE A 45 -17.013 5.040 4.859 1.00 50.00 H +ATOM 733 HE1 PHE A 45 -20.381 7.783 7.222 1.00 50.00 H +ATOM 734 HE2 PHE A 45 -17.423 7.376 4.161 1.00 50.00 H +ATOM 735 HZ PHE A 45 -19.117 8.743 5.332 1.00 50.00 H +ATOM 736 N TRP A 46 -15.444 5.109 7.793 1.00 50.00 N +ATOM 737 CA TRP A 46 -14.157 5.659 7.371 1.00 50.00 C +ATOM 738 C TRP A 46 -12.970 4.942 8.045 1.00 50.00 C +ATOM 739 O TRP A 46 -11.941 4.791 7.444 1.00 50.00 O +ATOM 740 CB TRP A 46 -14.116 7.157 7.639 1.00 50.00 C +ATOM 741 CG TRP A 46 -14.116 7.547 9.082 1.00 50.00 C +ATOM 742 CD1 TRP A 46 -13.027 7.675 9.875 1.00 50.00 C +ATOM 743 CD2 TRP A 46 -15.241 7.932 9.882 1.00 50.00 C +ATOM 744 NE1 TRP A 46 -13.406 8.054 11.143 1.00 50.00 N +ATOM 745 CE2 TRP A 46 -14.761 8.232 11.163 1.00 50.00 C +ATOM 746 CE3 TRP A 46 -16.623 8.052 9.635 1.00 50.00 C +ATOM 747 CZ2 TRP A 46 -15.598 8.640 12.209 1.00 50.00 C +ATOM 748 CZ3 TRP A 46 -17.457 8.430 10.684 1.00 50.00 C +ATOM 749 CH2 TRP A 46 -16.934 8.726 11.951 1.00 50.00 C +ATOM 750 H TRP A 46 -16.120 5.719 8.231 1.00 50.00 H +ATOM 751 HA TRP A 46 -14.043 5.490 6.300 1.00 50.00 H +ATOM 752 1HB TRP A 46 -13.221 7.583 7.186 1.00 50.00 H +ATOM 753 2HB TRP A 46 -14.978 7.634 7.172 1.00 50.00 H +ATOM 754 HD1 TRP A 46 -12.001 7.503 9.556 1.00 50.00 H +ATOM 755 HE1 TRP A 46 -12.785 8.179 11.930 1.00 50.00 H +ATOM 756 HE3 TRP A 46 -17.030 7.856 8.644 1.00 50.00 H +ATOM 757 HZ2 TRP A 46 -15.211 8.885 13.198 1.00 50.00 H +ATOM 758 HZ3 TRP A 46 -18.529 8.490 10.496 1.00 50.00 H +ATOM 759 HH2 TRP A 46 -17.614 9.031 12.746 1.00 50.00 H +ATOM 760 N ARG A 47 -13.133 4.535 9.311 1.00 50.00 N +ATOM 761 CA ARG A 47 -12.068 3.879 10.086 1.00 50.00 C +ATOM 762 C ARG A 47 -11.411 2.675 9.385 1.00 50.00 C +ATOM 763 O ARG A 47 -10.258 2.348 9.661 1.00 50.00 O +ATOM 764 CB ARG A 47 -12.610 3.427 11.429 1.00 50.00 C +ATOM 765 CG ARG A 47 -13.019 4.609 12.262 1.00 50.00 C +ATOM 766 CD ARG A 47 -13.546 4.169 13.584 1.00 50.00 C +ATOM 767 NE ARG A 47 -13.907 5.288 14.429 1.00 50.00 N +ATOM 768 CZ ARG A 47 -13.074 5.958 15.235 1.00 50.00 C +ATOM 769 NH1 ARG A 47 -11.796 5.616 15.362 1.00 50.00 N +ATOM 770 NH2 ARG A 47 -13.536 6.951 15.980 1.00 50.00 N +ATOM 771 H ARG A 47 -14.032 4.690 9.744 1.00 50.00 H +ATOM 772 HA ARG A 47 -11.267 4.600 10.252 1.00 50.00 H +ATOM 773 1HB ARG A 47 -13.466 2.771 11.274 1.00 50.00 H +ATOM 774 2HB ARG A 47 -11.848 2.851 11.954 1.00 50.00 H +ATOM 775 1HG ARG A 47 -12.156 5.255 12.426 1.00 50.00 H +ATOM 776 2HG ARG A 47 -13.798 5.169 11.742 1.00 50.00 H +ATOM 777 1HD ARG A 47 -14.435 3.557 13.436 1.00 50.00 H +ATOM 778 2HD ARG A 47 -12.786 3.585 14.102 1.00 50.00 H +ATOM 779 HE ARG A 47 -14.870 5.596 14.415 1.00 50.00 H +ATOM 780 1HH1 ARG A 47 -11.429 4.831 14.842 1.00 50.00 H +ATOM 781 2HH1 ARG A 47 -11.192 6.141 15.978 1.00 50.00 H +ATOM 782 1HH2 ARG A 47 -14.515 7.201 15.939 1.00 50.00 H +ATOM 783 2HH2 ARG A 47 -12.911 7.458 16.589 1.00 50.00 H +ATOM 784 N TYR A 48 -12.151 2.009 8.487 1.00 50.00 N +ATOM 785 CA TYR A 48 -11.655 0.785 7.875 1.00 50.00 C +ATOM 786 C TYR A 48 -10.631 1.132 6.824 1.00 50.00 C +ATOM 787 O TYR A 48 -9.883 0.262 6.357 1.00 50.00 O +ATOM 788 CB TYR A 48 -12.843 -0.073 7.315 1.00 50.00 C +ATOM 789 CG TYR A 48 -13.808 -0.516 8.401 1.00 50.00 C +ATOM 790 CD1 TYR A 48 -13.446 -1.505 9.307 1.00 50.00 C +ATOM 791 CD2 TYR A 48 -15.081 0.025 8.526 1.00 50.00 C +ATOM 792 CE1 TYR A 48 -14.292 -1.929 10.306 1.00 50.00 C +ATOM 793 CE2 TYR A 48 -15.936 -0.400 9.532 1.00 50.00 C +ATOM 794 CZ TYR A 48 -15.531 -1.366 10.422 1.00 50.00 C +ATOM 795 OH TYR A 48 -16.383 -1.816 11.433 1.00 50.00 O +ATOM 796 H TYR A 48 -13.064 2.354 8.227 1.00 50.00 H +ATOM 797 HA TYR A 48 -11.135 0.203 8.637 1.00 50.00 H +ATOM 798 1HB TYR A 48 -13.393 0.507 6.572 1.00 50.00 H +ATOM 799 2HB TYR A 48 -12.449 -0.957 6.814 1.00 50.00 H +ATOM 800 HD1 TYR A 48 -12.463 -1.972 9.240 1.00 50.00 H +ATOM 801 HD2 TYR A 48 -15.418 0.792 7.828 1.00 50.00 H +ATOM 802 HE1 TYR A 48 -13.971 -2.708 10.998 1.00 50.00 H +ATOM 803 HE2 TYR A 48 -16.933 0.032 9.618 1.00 50.00 H +ATOM 804 HH TYR A 48 -17.221 -1.351 11.374 1.00 50.00 H +ATOM 805 N PHE A 49 -10.562 2.427 6.507 1.00 50.00 N +ATOM 806 CA PHE A 49 -9.627 3.005 5.529 1.00 50.00 C +ATOM 807 C PHE A 49 -8.636 4.048 6.092 1.00 50.00 C +ATOM 808 O PHE A 49 -7.472 4.076 5.702 1.00 50.00 O +ATOM 809 CB PHE A 49 -10.430 3.625 4.364 1.00 50.00 C +ATOM 810 CG PHE A 49 -11.432 2.646 3.769 1.00 50.00 C +ATOM 811 CD1 PHE A 49 -11.060 1.783 2.751 1.00 50.00 C +ATOM 812 CD2 PHE A 49 -12.682 2.547 4.283 1.00 50.00 C +ATOM 813 CE1 PHE A 49 -11.941 0.853 2.236 1.00 50.00 C +ATOM 814 CE2 PHE A 49 -13.575 1.637 3.790 1.00 50.00 C +ATOM 815 CZ PHE A 49 -13.214 0.800 2.755 1.00 50.00 C +ATOM 816 H PHE A 49 -11.210 3.035 6.987 1.00 50.00 H +ATOM 817 HA PHE A 49 -8.992 2.206 5.143 1.00 50.00 H +ATOM 818 1HB PHE A 49 -10.963 4.506 4.718 1.00 50.00 H +ATOM 819 2HB PHE A 49 -9.745 3.950 3.582 1.00 50.00 H +ATOM 820 HD1 PHE A 49 -10.048 1.839 2.348 1.00 50.00 H +ATOM 821 HD2 PHE A 49 -12.972 3.207 5.101 1.00 50.00 H +ATOM 822 HE1 PHE A 49 -11.621 0.184 1.438 1.00 50.00 H +ATOM 823 HE2 PHE A 49 -14.576 1.574 4.217 1.00 50.00 H +ATOM 824 HZ PHE A 49 -13.940 0.098 2.349 1.00 50.00 H +ATOM 825 N THR A 50 -9.094 4.877 7.022 1.00 50.00 N +ATOM 826 CA THR A 50 -8.330 6.038 7.399 1.00 50.00 C +ATOM 827 C THR A 50 -7.117 5.750 8.331 1.00 50.00 C +ATOM 828 O THR A 50 -6.277 6.620 8.499 1.00 50.00 O +ATOM 829 CB THR A 50 -9.195 7.083 8.061 1.00 50.00 C +ATOM 830 OG1 THR A 50 -9.856 6.486 9.167 1.00 50.00 O +ATOM 831 CG2 THR A 50 -10.191 7.724 7.033 1.00 50.00 C +ATOM 832 H THR A 50 -9.980 4.703 7.474 1.00 50.00 H +ATOM 833 HA THR A 50 -7.900 6.476 6.498 1.00 50.00 H +ATOM 834 HB THR A 50 -8.563 7.868 8.477 1.00 50.00 H +ATOM 835 HG1 THR A 50 -9.598 5.563 9.233 1.00 50.00 H +ATOM 836 1HG2 THR A 50 -10.801 8.473 7.537 1.00 50.00 H +ATOM 837 2HG2 THR A 50 -9.629 8.195 6.227 1.00 50.00 H +ATOM 838 3HG2 THR A 50 -10.836 6.949 6.620 1.00 50.00 H +ATOM 839 N HIS A 51 -7.009 4.518 8.862 1.00 50.00 N +ATOM 840 CA HIS A 51 -5.779 4.027 9.474 1.00 50.00 C +ATOM 841 C HIS A 51 -4.542 4.227 8.517 1.00 50.00 C +ATOM 842 O HIS A 51 -3.397 4.531 8.956 1.00 50.00 O +ATOM 843 CB HIS A 51 -5.928 2.564 9.906 1.00 50.00 C +ATOM 844 CG HIS A 51 -6.211 1.632 8.762 1.00 50.00 C +ATOM 845 ND1 HIS A 51 -5.218 1.159 7.929 1.00 50.00 N +ATOM 846 CD2 HIS A 51 -7.389 1.174 8.258 1.00 50.00 C +ATOM 847 CE1 HIS A 51 -5.772 0.413 6.984 1.00 50.00 C +ATOM 848 NE2 HIS A 51 -7.090 0.399 7.164 1.00 50.00 N +ATOM 849 H HIS A 51 -7.818 3.914 8.831 1.00 50.00 H +ATOM 850 HA HIS A 51 -5.554 4.617 10.362 1.00 50.00 H +ATOM 851 1HB HIS A 51 -5.013 2.235 10.400 1.00 50.00 H +ATOM 852 2HB HIS A 51 -6.739 2.479 10.629 1.00 50.00 H +ATOM 853 HD2 HIS A 51 -8.383 1.364 8.664 1.00 50.00 H +ATOM 854 HE1 HIS A 51 -5.239 -0.106 6.188 1.00 50.00 H +ATOM 855 HE2 HIS A 51 -7.759 -0.098 6.593 1.00 50.00 H +ATOM 856 N ALA A 52 -4.781 4.149 7.210 1.00 0.00 N +ATOM 857 CA ALA A 52 -3.718 4.327 6.223 1.00 0.00 C +ATOM 858 C ALA A 52 -3.122 5.746 6.067 1.00 0.00 C +ATOM 859 O ALA A 52 -2.003 5.887 5.536 1.00 0.00 O +ATOM 860 CB ALA A 52 -4.146 3.798 4.865 1.00 0.00 C +ATOM 861 H ALA A 52 -5.721 3.962 6.892 1.00 0.00 H +ATOM 862 HA ALA A 52 -2.847 3.764 6.558 1.00 0.00 H +ATOM 863 1HB ALA A 52 -3.338 3.942 4.147 1.00 0.00 H +ATOM 864 2HB ALA A 52 -4.376 2.735 4.944 1.00 0.00 H +ATOM 865 3HB ALA A 52 -5.030 4.336 4.528 1.00 0.00 H +ATOM 866 N LEU A 53 -3.817 6.741 6.610 1.00 50.00 N +ATOM 867 CA LEU A 53 -3.479 8.185 6.490 1.00 50.00 C +ATOM 868 C LEU A 53 -2.621 8.733 7.621 1.00 50.00 C +ATOM 869 O LEU A 53 -2.185 9.864 7.550 1.00 50.00 O +ATOM 870 CB LEU A 53 -4.746 9.030 6.430 1.00 50.00 C +ATOM 871 CG LEU A 53 -5.661 8.719 5.228 1.00 50.00 C +ATOM 872 CD1 LEU A 53 -6.846 9.663 5.239 1.00 50.00 C +ATOM 873 CD2 LEU A 53 -4.939 8.846 3.884 1.00 50.00 C +ATOM 874 H LEU A 53 -4.633 6.469 7.140 1.00 50.00 H +ATOM 875 HA LEU A 53 -2.919 8.333 5.567 1.00 50.00 H +ATOM 876 1HB LEU A 53 -5.314 8.870 7.345 1.00 50.00 H +ATOM 877 2HB LEU A 53 -4.461 10.081 6.383 1.00 50.00 H +ATOM 878 HG LEU A 53 -6.035 7.698 5.310 1.00 50.00 H +ATOM 879 1HD1 LEU A 53 -7.494 9.444 4.390 1.00 50.00 H +ATOM 880 2HD1 LEU A 53 -7.406 9.533 6.165 1.00 50.00 H +ATOM 881 3HD1 LEU A 53 -6.493 10.691 5.170 1.00 50.00 H +ATOM 882 1HD2 LEU A 53 -5.633 8.615 3.075 1.00 50.00 H +ATOM 883 2HD2 LEU A 53 -4.569 9.864 3.765 1.00 50.00 H +ATOM 884 3HD2 LEU A 53 -4.101 8.149 3.854 1.00 50.00 H +ATOM 885 N MET A 54 -2.398 7.915 8.668 1.00 0.00 N +ATOM 886 CA MET A 54 -1.666 8.322 9.868 1.00 0.00 C +ATOM 887 C MET A 54 -0.230 7.769 9.810 1.00 0.00 C +ATOM 888 O MET A 54 -0.006 6.604 9.477 1.00 0.00 O +ATOM 889 CB MET A 54 -2.358 7.720 11.073 1.00 0.00 C +ATOM 890 CG MET A 54 -3.609 8.447 11.441 1.00 0.00 C +ATOM 891 SD MET A 54 -4.380 7.850 12.945 1.00 0.00 S +ATOM 892 CE MET A 54 -5.011 6.298 12.258 1.00 0.00 C +ATOM 893 H MET A 54 -2.761 6.974 8.608 1.00 0.00 H +ATOM 894 HA MET A 54 -1.690 9.409 9.936 1.00 0.00 H +ATOM 895 1HB MET A 54 -2.605 6.679 10.868 1.00 0.00 H +ATOM 896 2HB MET A 54 -1.680 7.734 11.927 1.00 0.00 H +ATOM 897 1HG MET A 54 -3.388 9.505 11.577 1.00 0.00 H +ATOM 898 2HG MET A 54 -4.336 8.352 10.634 1.00 0.00 H +ATOM 899 1HE MET A 54 -5.541 5.745 13.034 1.00 0.00 H +ATOM 900 2HE MET A 54 -5.694 6.515 11.435 1.00 0.00 H +ATOM 901 3HE MET A 54 -4.178 5.698 11.889 1.00 0.00 H +ATOM 902 N HIS A 55 0.747 8.622 10.123 1.00 0.00 N +ATOM 903 CA HIS A 55 2.098 8.199 10.300 1.00 0.00 C +ATOM 904 C HIS A 55 2.668 8.620 11.643 1.00 0.00 C +ATOM 905 O HIS A 55 2.372 9.663 12.132 1.00 0.00 O +ATOM 906 CB HIS A 55 2.963 8.692 9.149 1.00 0.00 C +ATOM 907 CG HIS A 55 2.541 8.153 7.834 1.00 0.00 C +ATOM 908 ND1 HIS A 55 1.594 8.779 7.040 1.00 0.00 N +ATOM 909 CD2 HIS A 55 2.892 7.019 7.187 1.00 0.00 C +ATOM 910 CE1 HIS A 55 1.408 8.067 5.949 1.00 0.00 C +ATOM 911 NE2 HIS A 55 2.173 6.989 6.013 1.00 0.00 N +ATOM 912 H HIS A 55 0.518 9.599 10.238 1.00 0.00 H +ATOM 913 HA HIS A 55 2.139 7.110 10.314 1.00 0.00 H +ATOM 914 1HB HIS A 55 2.926 9.781 9.106 1.00 0.00 H +ATOM 915 2HB HIS A 55 4.000 8.406 9.325 1.00 0.00 H +ATOM 916 HD2 HIS A 55 3.608 6.270 7.526 1.00 0.00 H +ATOM 917 HE1 HIS A 55 0.737 8.321 5.129 1.00 0.00 H +ATOM 918 HE2 HIS A 55 2.225 6.259 5.316 1.00 0.00 H +ATOM 919 N PHE A 56 3.542 7.778 12.200 1.00 50.00 N +ATOM 920 CA PHE A 56 4.119 7.993 13.534 1.00 50.00 C +ATOM 921 C PHE A 56 5.496 8.531 13.540 1.00 50.00 C +ATOM 922 O PHE A 56 5.979 8.913 14.568 1.00 50.00 O +ATOM 923 CB PHE A 56 4.072 6.683 14.317 1.00 50.00 C +ATOM 924 CG PHE A 56 2.704 6.090 14.346 1.00 50.00 C +ATOM 925 CD1 PHE A 56 1.649 6.800 14.954 1.00 50.00 C +ATOM 926 CD2 PHE A 56 2.442 4.853 13.784 1.00 50.00 C +ATOM 927 CE1 PHE A 56 0.351 6.285 14.966 1.00 50.00 C +ATOM 928 CE2 PHE A 56 1.143 4.319 13.815 1.00 50.00 C +ATOM 929 CZ PHE A 56 0.094 5.054 14.376 1.00 50.00 C +ATOM 930 H PHE A 56 3.812 6.960 11.673 1.00 50.00 H +ATOM 931 HA PHE A 56 3.522 8.744 14.053 1.00 50.00 H +ATOM 932 1HB PHE A 56 4.759 5.967 13.869 1.00 50.00 H +ATOM 933 2HB PHE A 56 4.404 6.858 15.340 1.00 50.00 H +ATOM 934 HD1 PHE A 56 1.855 7.764 15.419 1.00 50.00 H +ATOM 935 HD2 PHE A 56 3.258 4.277 13.346 1.00 50.00 H +ATOM 936 HE1 PHE A 56 -0.454 6.849 15.437 1.00 50.00 H +ATOM 937 HE2 PHE A 56 0.953 3.329 13.401 1.00 50.00 H +ATOM 938 HZ PHE A 56 -0.922 4.662 14.352 1.00 50.00 H +ATOM 939 N SER A 57 6.130 8.577 12.377 1.00 50.00 N +ATOM 940 CA SER A 57 7.450 9.092 12.237 1.00 50.00 C +ATOM 941 C SER A 57 7.629 9.762 10.855 1.00 50.00 C +ATOM 942 O SER A 57 7.036 9.361 9.859 1.00 50.00 O +ATOM 943 CB SER A 57 8.495 7.974 12.437 1.00 50.00 C +ATOM 944 OG SER A 57 8.674 7.232 11.239 1.00 50.00 O +ATOM 945 H SER A 57 5.648 8.230 11.560 1.00 50.00 H +ATOM 946 HA SER A 57 7.607 9.855 13.001 1.00 50.00 H +ATOM 947 1HB SER A 57 9.444 8.414 12.744 1.00 50.00 H +ATOM 948 2HB SER A 57 8.169 7.310 13.236 1.00 50.00 H +ATOM 949 HG SER A 57 8.083 7.626 10.593 1.00 50.00 H +ATOM 950 N LEU A 58 8.488 10.781 10.855 1.00 50.00 N +ATOM 951 CA LEU A 58 8.909 11.546 9.726 1.00 50.00 C +ATOM 952 C LEU A 58 9.554 10.675 8.655 1.00 50.00 C +ATOM 953 O LEU A 58 9.298 10.807 7.450 1.00 50.00 O +ATOM 954 CB LEU A 58 9.937 12.561 10.252 1.00 50.00 C +ATOM 955 CG LEU A 58 10.616 13.402 9.211 1.00 50.00 C +ATOM 956 CD1 LEU A 58 9.518 14.044 8.369 1.00 50.00 C +ATOM 957 CD2 LEU A 58 11.512 14.443 9.893 1.00 50.00 C +ATOM 958 H LEU A 58 8.858 11.006 11.767 1.00 50.00 H +ATOM 959 HA LEU A 58 8.041 12.058 9.312 1.00 50.00 H +ATOM 960 1HB LEU A 58 9.436 13.235 10.946 1.00 50.00 H +ATOM 961 2HB LEU A 58 10.711 12.021 10.797 1.00 50.00 H +ATOM 962 HG LEU A 58 11.226 12.765 8.569 1.00 50.00 H +ATOM 963 1HD1 LEU A 58 9.969 14.667 7.596 1.00 50.00 H +ATOM 964 2HD1 LEU A 58 8.916 13.265 7.901 1.00 50.00 H +ATOM 965 3HD1 LEU A 58 8.884 14.659 9.006 1.00 50.00 H +ATOM 966 1HD2 LEU A 58 12.005 15.052 9.134 1.00 50.00 H +ATOM 967 2HD2 LEU A 58 10.904 15.083 10.534 1.00 50.00 H +ATOM 968 3HD2 LEU A 58 12.265 13.936 10.496 1.00 50.00 H +ATOM 969 N MET A 59 10.419 9.768 9.104 1.00 50.00 N +ATOM 970 CA MET A 59 11.136 8.885 8.192 1.00 50.00 C +ATOM 971 C MET A 59 10.119 8.039 7.381 1.00 50.00 C +ATOM 972 O MET A 59 10.223 7.981 6.157 1.00 50.00 O +ATOM 973 CB MET A 59 12.197 8.124 9.000 1.00 50.00 C +ATOM 974 CG MET A 59 12.530 6.728 8.541 1.00 50.00 C +ATOM 975 SD MET A 59 14.314 6.470 8.632 1.00 50.00 S +ATOM 976 CE MET A 59 14.282 4.787 8.025 1.00 50.00 C +ATOM 977 H MET A 59 10.584 9.688 10.097 1.00 50.00 H +ATOM 978 HA MET A 59 11.620 9.495 7.430 1.00 50.00 H +ATOM 979 1HB MET A 59 13.131 8.684 8.992 1.00 50.00 H +ATOM 980 2HB MET A 59 11.874 8.041 10.038 1.00 50.00 H +ATOM 981 1HG MET A 59 12.016 6.005 9.173 1.00 50.00 H +ATOM 982 2HG MET A 59 12.186 6.590 7.516 1.00 50.00 H +ATOM 983 1HE MET A 59 15.298 4.394 7.988 1.00 50.00 H +ATOM 984 2HE MET A 59 13.677 4.171 8.692 1.00 50.00 H +ATOM 985 3HE MET A 59 13.850 4.769 7.024 1.00 50.00 H +ATOM 986 N HIS A 60 9.085 7.508 8.057 1.00 0.00 N +ATOM 987 CA HIS A 60 8.094 6.646 7.429 1.00 0.00 C +ATOM 988 C HIS A 60 7.108 7.372 6.500 1.00 0.00 C +ATOM 989 O HIS A 60 6.807 6.860 5.407 1.00 0.00 O +ATOM 990 CB HIS A 60 7.398 5.817 8.488 1.00 0.00 C +ATOM 991 CG HIS A 60 8.277 4.741 9.044 1.00 0.00 C +ATOM 992 ND1 HIS A 60 7.844 3.794 9.948 1.00 0.00 N +ATOM 993 CD2 HIS A 60 9.572 4.447 8.784 1.00 0.00 C +ATOM 994 CE1 HIS A 60 8.846 2.980 10.233 1.00 0.00 C +ATOM 995 NE2 HIS A 60 9.910 3.359 9.543 1.00 0.00 N +ATOM 996 H HIS A 60 8.999 7.721 9.041 1.00 0.00 H +ATOM 997 HA HIS A 60 8.589 5.972 6.730 1.00 0.00 H +ATOM 998 1HB HIS A 60 7.075 6.465 9.304 1.00 0.00 H +ATOM 999 2HB HIS A 60 6.506 5.358 8.063 1.00 0.00 H +ATOM 1000 HD2 HIS A 60 10.229 4.993 8.106 1.00 0.00 H +ATOM 1001 HE1 HIS A 60 8.806 2.136 10.921 1.00 0.00 H +ATOM 1002 HE2 HIS A 60 10.819 2.920 9.571 1.00 0.00 H +ATOM 1003 N ILE A 61 6.662 8.574 6.886 1.00 50.00 N +ATOM 1004 CA ILE A 61 5.849 9.351 5.986 1.00 50.00 C +ATOM 1005 C ILE A 61 6.610 9.663 4.707 1.00 50.00 C +ATOM 1006 O ILE A 61 6.082 9.534 3.612 1.00 50.00 O +ATOM 1007 CB ILE A 61 5.143 10.538 6.636 1.00 50.00 C +ATOM 1008 CG1 ILE A 61 4.063 11.076 5.668 1.00 50.00 C +ATOM 1009 CG2 ILE A 61 6.097 11.628 7.040 1.00 50.00 C +ATOM 1010 CD1 ILE A 61 3.223 12.207 6.229 1.00 50.00 C +ATOM 1011 H ILE A 61 6.884 8.949 7.797 1.00 50.00 H +ATOM 1012 HA ILE A 61 5.069 8.707 5.581 1.00 50.00 H +ATOM 1013 HB ILE A 61 4.619 10.204 7.531 1.00 50.00 H +ATOM 1014 1HG1 ILE A 61 4.538 11.433 4.755 1.00 50.00 H +ATOM 1015 2HG1 ILE A 61 3.388 10.266 5.389 1.00 50.00 H +ATOM 1016 1HG2 ILE A 61 5.541 12.447 7.496 1.00 50.00 H +ATOM 1017 2HG2 ILE A 61 6.816 11.234 7.757 1.00 50.00 H +ATOM 1018 3HG2 ILE A 61 6.625 11.994 6.159 1.00 50.00 H +ATOM 1019 1HD1 ILE A 61 2.492 12.522 5.484 1.00 50.00 H +ATOM 1020 2HD1 ILE A 61 2.704 11.865 7.125 1.00 50.00 H +ATOM 1021 3HD1 ILE A 61 3.867 13.048 6.481 1.00 50.00 H +ATOM 1022 N LEU A 62 7.881 10.006 4.833 1.00 50.00 N +ATOM 1023 CA LEU A 62 8.691 10.397 3.681 1.00 50.00 C +ATOM 1024 C LEU A 62 8.924 9.241 2.746 1.00 50.00 C +ATOM 1025 O LEU A 62 8.695 9.359 1.562 1.00 50.00 O +ATOM 1026 CB LEU A 62 10.006 11.035 4.108 1.00 50.00 C +ATOM 1027 CG LEU A 62 9.876 12.480 4.639 1.00 50.00 C +ATOM 1028 CD1 LEU A 62 11.126 12.905 5.422 1.00 50.00 C +ATOM 1029 CD2 LEU A 62 9.618 13.462 3.503 1.00 50.00 C +ATOM 1030 H LEU A 62 8.303 9.997 5.751 1.00 50.00 H +ATOM 1031 HA LEU A 62 8.133 11.130 3.099 1.00 50.00 H +ATOM 1032 1HB LEU A 62 10.452 10.422 4.890 1.00 50.00 H +ATOM 1033 2HB LEU A 62 10.682 11.044 3.253 1.00 50.00 H +ATOM 1034 HG LEU A 62 9.045 12.536 5.343 1.00 50.00 H +ATOM 1035 1HD1 LEU A 62 11.000 13.927 5.781 1.00 50.00 H +ATOM 1036 2HD1 LEU A 62 11.268 12.237 6.272 1.00 50.00 H +ATOM 1037 3HD1 LEU A 62 11.998 12.854 4.771 1.00 50.00 H +ATOM 1038 1HD2 LEU A 62 9.530 14.471 3.907 1.00 50.00 H +ATOM 1039 2HD2 LEU A 62 10.446 13.425 2.795 1.00 50.00 H +ATOM 1040 3HD2 LEU A 62 8.693 13.194 2.993 1.00 50.00 H +ATOM 1041 N PHE A 63 9.340 8.095 3.281 1.00 50.00 N +ATOM 1042 CA PHE A 63 9.540 6.915 2.424 1.00 50.00 C +ATOM 1043 C PHE A 63 8.227 6.415 1.818 1.00 50.00 C +ATOM 1044 O PHE A 63 8.208 6.121 0.633 1.00 50.00 O +ATOM 1045 CB PHE A 63 10.322 5.801 3.128 1.00 50.00 C +ATOM 1046 CG PHE A 63 11.795 6.072 3.123 1.00 50.00 C +ATOM 1047 CD1 PHE A 63 12.510 6.001 1.916 1.00 50.00 C +ATOM 1048 CD2 PHE A 63 12.455 6.526 4.251 1.00 50.00 C +ATOM 1049 CE1 PHE A 63 13.857 6.319 1.856 1.00 50.00 C +ATOM 1050 CE2 PHE A 63 13.813 6.841 4.182 1.00 50.00 C +ATOM 1051 CZ PHE A 63 14.501 6.741 2.994 1.00 50.00 C +ATOM 1052 H PHE A 63 9.522 8.020 4.272 1.00 50.00 H +ATOM 1053 HA PHE A 63 10.114 7.217 1.547 1.00 50.00 H +ATOM 1054 1HB PHE A 63 9.976 5.708 4.157 1.00 50.00 H +ATOM 1055 2HB PHE A 63 10.129 4.851 2.631 1.00 50.00 H +ATOM 1056 HD1 PHE A 63 11.993 5.690 1.008 1.00 50.00 H +ATOM 1057 HD2 PHE A 63 11.924 6.610 5.200 1.00 50.00 H +ATOM 1058 HE1 PHE A 63 14.395 6.233 0.912 1.00 50.00 H +ATOM 1059 HE2 PHE A 63 14.329 7.169 5.084 1.00 50.00 H +ATOM 1060 HZ PHE A 63 15.559 6.996 2.960 1.00 50.00 H +ATOM 1061 N ASN A 64 7.165 6.305 2.631 1.00 50.00 N +ATOM 1062 CA ASN A 64 5.841 5.827 2.188 1.00 50.00 C +ATOM 1063 C ASN A 64 5.387 6.754 1.024 1.00 50.00 C +ATOM 1064 O ASN A 64 4.959 6.304 -0.027 1.00 50.00 O +ATOM 1065 CB ASN A 64 4.776 5.766 3.335 1.00 50.00 C +ATOM 1066 CG ASN A 64 5.036 4.662 4.372 1.00 50.00 C +ATOM 1067 OD1 ASN A 64 4.414 4.538 5.512 1.00 50.00 O +ATOM 1068 ND2 ASN A 64 5.981 3.843 3.992 1.00 50.00 N +ATOM 1069 H ASN A 64 7.295 6.568 3.597 1.00 50.00 H +ATOM 1070 HA ASN A 64 5.951 4.813 1.800 1.00 50.00 H +ATOM 1071 1HB ASN A 64 4.750 6.723 3.859 1.00 50.00 H +ATOM 1072 2HB ASN A 64 3.788 5.601 2.906 1.00 50.00 H +ATOM 1073 1HD2 ASN A 64 6.246 3.078 4.580 1.00 50.00 H +ATOM 1074 2HD2 ASN A 64 6.438 3.981 3.114 1.00 50.00 H +ATOM 1075 N LEU A 65 5.528 8.065 1.189 1.00 50.00 N +ATOM 1076 CA LEU A 65 5.031 8.970 0.175 1.00 50.00 C +ATOM 1077 C LEU A 65 5.876 8.980 -1.060 1.00 50.00 C +ATOM 1078 O LEU A 65 5.352 9.267 -2.139 1.00 50.00 O +ATOM 1079 CB LEU A 65 4.737 10.353 0.711 1.00 50.00 C +ATOM 1080 CG LEU A 65 3.526 10.527 1.620 1.00 50.00 C +ATOM 1081 CD1 LEU A 65 3.254 11.976 1.945 1.00 50.00 C +ATOM 1082 CD2 LEU A 65 2.236 9.992 1.073 1.00 50.00 C +ATOM 1083 H LEU A 65 5.976 8.445 2.010 1.00 50.00 H +ATOM 1084 HA LEU A 65 4.099 8.568 -0.220 1.00 50.00 H +ATOM 1085 1HB LEU A 65 5.600 10.696 1.278 1.00 50.00 H +ATOM 1086 2HB LEU A 65 4.590 11.028 -0.132 1.00 50.00 H +ATOM 1087 HG LEU A 65 3.702 10.009 2.563 1.00 50.00 H +ATOM 1088 1HD1 LEU A 65 2.382 12.046 2.595 1.00 50.00 H +ATOM 1089 2HD1 LEU A 65 4.119 12.404 2.452 1.00 50.00 H +ATOM 1090 3HD1 LEU A 65 3.064 12.526 1.024 1.00 50.00 H +ATOM 1091 1HD2 LEU A 65 1.436 10.163 1.794 1.00 50.00 H +ATOM 1092 2HD2 LEU A 65 1.998 10.501 0.139 1.00 50.00 H +ATOM 1093 3HD2 LEU A 65 2.335 8.922 0.888 1.00 50.00 H +ATOM 1094 N LEU A 66 7.176 8.695 -0.913 1.00 50.00 N +ATOM 1095 CA LEU A 66 8.099 8.651 -2.032 1.00 50.00 C +ATOM 1096 C LEU A 66 7.682 7.514 -2.965 1.00 50.00 C +ATOM 1097 O LEU A 66 7.540 7.699 -4.187 1.00 50.00 O +ATOM 1098 CB LEU A 66 9.539 8.411 -1.525 1.00 50.00 C +ATOM 1099 CG LEU A 66 10.587 8.319 -2.661 1.00 50.00 C +ATOM 1100 CD1 LEU A 66 10.745 9.659 -3.393 1.00 50.00 C +ATOM 1101 CD2 LEU A 66 11.937 7.756 -2.175 1.00 50.00 C +ATOM 1102 H LEU A 66 7.521 8.504 0.017 1.00 50.00 H +ATOM 1103 HA LEU A 66 8.063 9.610 -2.547 1.00 50.00 H +ATOM 1104 1HB LEU A 66 9.813 9.228 -0.859 1.00 50.00 H +ATOM 1105 2HB LEU A 66 9.556 7.483 -0.954 1.00 50.00 H +ATOM 1106 HG LEU A 66 10.214 7.663 -3.448 1.00 50.00 H +ATOM 1107 1HD1 LEU A 66 11.488 9.556 -4.184 1.00 50.00 H +ATOM 1108 2HD1 LEU A 66 9.790 9.950 -3.830 1.00 50.00 H +ATOM 1109 3HD1 LEU A 66 11.069 10.423 -2.687 1.00 50.00 H +ATOM 1110 1HD2 LEU A 66 12.635 7.712 -3.011 1.00 50.00 H +ATOM 1111 2HD2 LEU A 66 12.343 8.404 -1.397 1.00 50.00 H +ATOM 1112 3HD2 LEU A 66 11.790 6.754 -1.772 1.00 50.00 H +ATOM 1113 N TRP A 67 7.507 6.334 -2.371 1.00 50.00 N +ATOM 1114 CA TRP A 67 7.064 5.126 -3.051 1.00 50.00 C +ATOM 1115 C TRP A 67 5.669 5.251 -3.644 1.00 50.00 C +ATOM 1116 O TRP A 67 5.460 4.849 -4.765 1.00 50.00 O +ATOM 1117 CB TRP A 67 7.060 3.938 -2.075 1.00 50.00 C +ATOM 1118 CG TRP A 67 8.401 3.304 -1.844 1.00 50.00 C +ATOM 1119 CD1 TRP A 67 9.056 3.169 -0.643 1.00 50.00 C +ATOM 1120 CD2 TRP A 67 9.213 2.646 -2.818 1.00 50.00 C +ATOM 1121 NE1 TRP A 67 10.218 2.480 -0.809 1.00 50.00 N +ATOM 1122 CE2 TRP A 67 10.364 2.159 -2.134 1.00 50.00 C +ATOM 1123 CE3 TRP A 67 9.070 2.401 -4.187 1.00 50.00 C +ATOM 1124 CZ2 TRP A 67 11.378 1.447 -2.777 1.00 50.00 C +ATOM 1125 CZ3 TRP A 67 10.065 1.722 -4.840 1.00 50.00 C +ATOM 1126 CH2 TRP A 67 11.227 1.240 -4.124 1.00 50.00 C +ATOM 1127 H TRP A 67 7.701 6.298 -1.380 1.00 50.00 H +ATOM 1128 HA TRP A 67 7.759 4.911 -3.862 1.00 50.00 H +ATOM 1129 1HB TRP A 67 6.679 4.264 -1.107 1.00 50.00 H +ATOM 1130 2HB TRP A 67 6.390 3.164 -2.447 1.00 50.00 H +ATOM 1131 HD1 TRP A 67 8.698 3.558 0.309 1.00 50.00 H +ATOM 1132 HE1 TRP A 67 10.871 2.242 -0.076 1.00 50.00 H +ATOM 1133 HE3 TRP A 67 8.184 2.741 -4.723 1.00 50.00 H +ATOM 1134 HZ2 TRP A 67 12.249 1.069 -2.242 1.00 50.00 H +ATOM 1135 HZ3 TRP A 67 9.962 1.553 -5.912 1.00 50.00 H +ATOM 1136 HH2 TRP A 67 11.999 0.700 -4.673 1.00 50.00 H +ATOM 1137 N TRP A 68 4.720 5.775 -2.849 1.00 0.00 N +ATOM 1138 CA TRP A 68 3.364 6.110 -3.311 1.00 0.00 C +ATOM 1139 C TRP A 68 3.424 7.060 -4.520 1.00 0.00 C +ATOM 1140 O TRP A 68 2.782 6.803 -5.552 1.00 0.00 O +ATOM 1141 CB TRP A 68 2.521 6.732 -2.180 1.00 0.00 C +ATOM 1142 CG TRP A 68 1.275 7.416 -2.701 1.00 0.00 C +ATOM 1143 CD1 TRP A 68 1.139 8.743 -3.027 1.00 0.00 C +ATOM 1144 CD2 TRP A 68 0.034 6.808 -2.981 1.00 0.00 C +ATOM 1145 NE1 TRP A 68 -0.111 8.986 -3.488 1.00 0.00 N +ATOM 1146 CE2 TRP A 68 -0.821 7.824 -3.499 1.00 0.00 C +ATOM 1147 CE3 TRP A 68 -0.449 5.502 -2.863 1.00 0.00 C +ATOM 1148 CZ2 TRP A 68 -2.159 7.581 -3.890 1.00 0.00 C +ATOM 1149 CZ3 TRP A 68 -1.800 5.242 -3.239 1.00 0.00 C +ATOM 1150 CH2 TRP A 68 -2.640 6.298 -3.731 1.00 0.00 C +ATOM 1151 H TRP A 68 4.966 5.942 -1.884 1.00 0.00 H +ATOM 1152 HA TRP A 68 2.873 5.193 -3.636 1.00 0.00 H +ATOM 1153 1HB TRP A 68 2.229 5.954 -1.474 1.00 0.00 H +ATOM 1154 2HB TRP A 68 3.123 7.459 -1.636 1.00 0.00 H +ATOM 1155 HD1 TRP A 68 1.923 9.492 -2.929 1.00 0.00 H +ATOM 1156 HE1 TRP A 68 -0.466 9.886 -3.779 1.00 0.00 H +ATOM 1157 HE3 TRP A 68 0.190 4.700 -2.495 1.00 0.00 H +ATOM 1158 HZ2 TRP A 68 -2.794 8.366 -4.303 1.00 0.00 H +ATOM 1159 HZ3 TRP A 68 -2.181 4.225 -3.144 1.00 0.00 H +ATOM 1160 HH2 TRP A 68 -3.678 6.080 -3.983 1.00 0.00 H +ATOM 1161 N TRP A 69 4.230 8.124 -4.419 1.00 50.00 N +ATOM 1162 CA TRP A 69 4.337 9.066 -5.507 1.00 50.00 C +ATOM 1163 C TRP A 69 4.861 8.380 -6.792 1.00 50.00 C +ATOM 1164 O TRP A 69 4.351 8.616 -7.887 1.00 50.00 O +ATOM 1165 CB TRP A 69 5.235 10.258 -5.095 1.00 50.00 C +ATOM 1166 CG TRP A 69 5.481 11.368 -6.147 1.00 50.00 C +ATOM 1167 CD1 TRP A 69 4.556 11.972 -6.940 1.00 50.00 C +ATOM 1168 CD2 TRP A 69 6.727 11.978 -6.467 1.00 50.00 C +ATOM 1169 NE1 TRP A 69 5.144 12.918 -7.738 1.00 50.00 N +ATOM 1170 CE2 TRP A 69 6.478 12.944 -7.476 1.00 50.00 C +ATOM 1171 CE3 TRP A 69 8.032 11.845 -5.968 1.00 50.00 C +ATOM 1172 CZ2 TRP A 69 7.483 13.763 -8.004 1.00 50.00 C +ATOM 1173 CZ3 TRP A 69 9.048 12.671 -6.502 1.00 50.00 C +ATOM 1174 CH2 TRP A 69 8.757 13.612 -7.515 1.00 50.00 C +ATOM 1175 H TRP A 69 4.771 8.278 -3.580 1.00 50.00 H +ATOM 1176 HA TRP A 69 3.340 9.441 -5.739 1.00 50.00 H +ATOM 1177 1HB TRP A 69 4.804 10.755 -4.225 1.00 50.00 H +ATOM 1178 2HB TRP A 69 6.219 9.889 -4.807 1.00 50.00 H +ATOM 1179 HD1 TRP A 69 3.493 11.740 -6.945 1.00 50.00 H +ATOM 1180 HE1 TRP A 69 4.666 13.500 -8.411 1.00 50.00 H +ATOM 1181 HE3 TRP A 69 8.257 11.122 -5.184 1.00 50.00 H +ATOM 1182 HZ2 TRP A 69 7.280 14.504 -8.778 1.00 50.00 H +ATOM 1183 HZ3 TRP A 69 10.062 12.565 -6.115 1.00 50.00 H +ATOM 1184 HH2 TRP A 69 9.561 14.229 -7.916 1.00 50.00 H +ATOM 1185 N TYR A 70 5.898 7.555 -6.640 1.00 50.00 N +ATOM 1186 CA TYR A 70 6.473 6.855 -7.785 1.00 50.00 C +ATOM 1187 C TYR A 70 5.581 5.747 -8.369 1.00 50.00 C +ATOM 1188 O TYR A 70 5.333 5.707 -9.567 1.00 50.00 O +ATOM 1189 CB TYR A 70 7.855 6.275 -7.439 1.00 50.00 C +ATOM 1190 CG TYR A 70 8.629 5.780 -8.636 1.00 50.00 C +ATOM 1191 CD1 TYR A 70 9.215 6.663 -9.539 1.00 50.00 C +ATOM 1192 CD2 TYR A 70 8.731 4.425 -8.894 1.00 50.00 C +ATOM 1193 CE1 TYR A 70 9.911 6.200 -10.660 1.00 50.00 C +ATOM 1194 CE2 TYR A 70 9.401 3.948 -10.015 1.00 50.00 C +ATOM 1195 CZ TYR A 70 9.995 4.832 -10.890 1.00 50.00 C +ATOM 1196 OH TYR A 70 10.688 4.307 -11.969 1.00 50.00 O +ATOM 1197 H TYR A 70 6.296 7.408 -5.723 1.00 50.00 H +ATOM 1198 HA TYR A 70 6.593 7.568 -8.601 1.00 50.00 H +ATOM 1199 1HB TYR A 70 8.455 7.037 -6.939 1.00 50.00 H +ATOM 1200 2HB TYR A 70 7.737 5.444 -6.745 1.00 50.00 H +ATOM 1201 HD1 TYR A 70 9.136 7.739 -9.379 1.00 50.00 H +ATOM 1202 HD2 TYR A 70 8.280 3.705 -8.212 1.00 50.00 H +ATOM 1203 HE1 TYR A 70 10.361 6.910 -11.353 1.00 50.00 H +ATOM 1204 HE2 TYR A 70 9.456 2.875 -10.202 1.00 50.00 H +ATOM 1205 HH TYR A 70 10.645 3.348 -11.940 1.00 50.00 H +ATOM 1206 N LEU A 71 5.130 4.819 -7.529 1.00 50.00 N +ATOM 1207 CA LEU A 71 4.427 3.664 -8.031 1.00 50.00 C +ATOM 1208 C LEU A 71 2.975 4.022 -8.242 1.00 50.00 C +ATOM 1209 O LEU A 71 2.424 3.776 -9.320 1.00 50.00 O +ATOM 1210 CB LEU A 71 4.519 2.497 -7.073 1.00 50.00 C +ATOM 1211 CG LEU A 71 5.892 1.943 -6.730 1.00 50.00 C +ATOM 1212 CD1 LEU A 71 5.723 0.836 -5.745 1.00 50.00 C +ATOM 1213 CD2 LEU A 71 6.572 1.371 -7.958 1.00 50.00 C +ATOM 1214 H LEU A 71 5.275 4.913 -6.534 1.00 50.00 H +ATOM 1215 HA LEU A 71 4.883 3.365 -8.974 1.00 50.00 H +ATOM 1216 1HB LEU A 71 4.065 2.788 -6.127 1.00 50.00 H +ATOM 1217 2HB LEU A 71 3.950 1.664 -7.485 1.00 50.00 H +ATOM 1218 HG LEU A 71 6.516 2.741 -6.326 1.00 50.00 H +ATOM 1219 1HD1 LEU A 71 6.700 0.426 -5.487 1.00 50.00 H +ATOM 1220 2HD1 LEU A 71 5.242 1.220 -4.845 1.00 50.00 H +ATOM 1221 3HD1 LEU A 71 5.105 0.052 -6.181 1.00 50.00 H +ATOM 1222 1HD2 LEU A 71 7.553 0.982 -7.683 1.00 50.00 H +ATOM 1223 2HD2 LEU A 71 5.964 0.564 -8.368 1.00 50.00 H +ATOM 1224 3HD2 LEU A 71 6.689 2.154 -8.707 1.00 50.00 H +ATOM 1225 N GLY A 72 2.373 4.629 -7.211 1.00 50.00 N +ATOM 1226 CA GLY A 72 1.069 5.279 -7.319 1.00 50.00 C +ATOM 1227 C GLY A 72 0.968 6.082 -8.591 1.00 50.00 C +ATOM 1228 O GLY A 72 0.097 5.859 -9.364 1.00 50.00 O +ATOM 1229 H GLY A 72 2.852 4.632 -6.322 1.00 50.00 H +ATOM 1230 1HA GLY A 72 0.283 4.524 -7.296 1.00 50.00 H +ATOM 1231 2HA GLY A 72 0.915 5.930 -6.459 1.00 50.00 H +ATOM 1232 N GLY A 73 1.899 7.007 -8.815 1.00 50.00 N +ATOM 1233 CA GLY A 73 1.838 7.916 -9.956 1.00 50.00 C +ATOM 1234 C GLY A 73 1.960 7.210 -11.308 1.00 50.00 C +ATOM 1235 O GLY A 73 1.306 7.569 -12.302 1.00 50.00 O +ATOM 1236 H GLY A 73 2.673 7.078 -8.170 1.00 50.00 H +ATOM 1237 1HA GLY A 73 0.895 8.463 -9.936 1.00 50.00 H +ATOM 1238 2HA GLY A 73 2.637 8.652 -9.878 1.00 50.00 H +ATOM 1239 N ALA A 74 2.803 6.180 -11.353 1.00 50.00 N +ATOM 1240 CA ALA A 74 2.927 5.352 -12.548 1.00 50.00 C +ATOM 1241 C ALA A 74 1.566 4.665 -12.842 1.00 50.00 C +ATOM 1242 O ALA A 74 1.028 4.766 -13.923 1.00 50.00 O +ATOM 1243 CB ALA A 74 4.036 4.315 -12.354 1.00 50.00 C +ATOM 1244 H ALA A 74 3.369 5.965 -10.545 1.00 50.00 H +ATOM 1245 HA ALA A 74 3.188 6.001 -13.384 1.00 50.00 H +ATOM 1246 1HB ALA A 74 4.121 3.701 -13.251 1.00 50.00 H +ATOM 1247 2HB ALA A 74 4.982 4.824 -12.171 1.00 50.00 H +ATOM 1248 3HB ALA A 74 3.795 3.681 -11.502 1.00 50.00 H +ATOM 1249 N VAL A 75 0.999 4.007 -11.835 1.00 0.00 N +ATOM 1250 CA VAL A 75 -0.257 3.331 -12.027 1.00 0.00 C +ATOM 1251 C VAL A 75 -1.330 4.262 -12.587 1.00 0.00 C +ATOM 1252 O VAL A 75 -1.959 3.937 -13.556 1.00 0.00 O +ATOM 1253 CB VAL A 75 -0.731 2.615 -10.760 1.00 0.00 C +ATOM 1254 CG1 VAL A 75 -2.154 2.091 -10.937 1.00 0.00 C +ATOM 1255 CG2 VAL A 75 0.208 1.468 -10.459 1.00 0.00 C +ATOM 1256 H VAL A 75 1.442 3.974 -10.928 1.00 0.00 H +ATOM 1257 HA VAL A 75 -0.129 2.579 -12.806 1.00 0.00 H +ATOM 1258 HB VAL A 75 -0.729 3.323 -9.931 1.00 0.00 H +ATOM 1259 1HG1 VAL A 75 -2.472 1.586 -10.025 1.00 0.00 H +ATOM 1260 2HG1 VAL A 75 -2.826 2.924 -11.142 1.00 0.00 H +ATOM 1261 3HG1 VAL A 75 -2.182 1.388 -11.769 1.00 0.00 H +ATOM 1262 1HG2 VAL A 75 -0.123 0.954 -9.557 1.00 0.00 H +ATOM 1263 2HG2 VAL A 75 0.209 0.769 -11.296 1.00 0.00 H +ATOM 1264 3HG2 VAL A 75 1.216 1.853 -10.307 1.00 0.00 H +ATOM 1265 N GLU A 76 -1.542 5.405 -11.952 1.00 50.00 N +ATOM 1266 CA GLU A 76 -2.534 6.385 -12.402 1.00 50.00 C +ATOM 1267 C GLU A 76 -2.279 6.826 -13.813 1.00 50.00 C +ATOM 1268 O GLU A 76 -3.212 6.875 -14.620 1.00 50.00 O +ATOM 1269 CB GLU A 76 -2.570 7.617 -11.488 1.00 50.00 C +ATOM 1270 CG GLU A 76 -3.625 8.684 -11.800 1.00 50.00 C +ATOM 1271 CD GLU A 76 -3.959 9.500 -10.562 1.00 50.00 C +ATOM 1272 OE1 GLU A 76 -3.100 9.679 -9.654 1.00 50.00 O +ATOM 1273 OE2 GLU A 76 -5.106 9.971 -10.473 1.00 50.00 O +ATOM 1274 H GLU A 76 -0.995 5.602 -11.126 1.00 50.00 H +ATOM 1275 HA GLU A 76 -3.519 5.917 -12.377 1.00 50.00 H +ATOM 1276 1HB GLU A 76 -2.744 7.302 -10.459 1.00 50.00 H +ATOM 1277 2HB GLU A 76 -1.603 8.120 -11.517 1.00 50.00 H +ATOM 1278 1HG GLU A 76 -3.243 9.340 -12.582 1.00 50.00 H +ATOM 1279 2HG GLU A 76 -4.520 8.194 -12.180 1.00 50.00 H +ATOM 1280 N LYS A 77 -1.023 7.149 -14.125 1.00 0.00 N +ATOM 1281 CA LYS A 77 -0.691 7.631 -15.450 1.00 0.00 C +ATOM 1282 C LYS A 77 -0.950 6.572 -16.521 1.00 0.00 C +ATOM 1283 O LYS A 77 -1.494 6.879 -17.552 1.00 0.00 O +ATOM 1284 CB LYS A 77 0.772 8.113 -15.524 1.00 0.00 C +ATOM 1285 CG LYS A 77 1.123 9.035 -16.697 1.00 0.00 C +ATOM 1286 CD LYS A 77 0.318 10.360 -16.756 1.00 0.00 C +ATOM 1287 CE LYS A 77 0.264 11.189 -15.448 1.00 0.00 C +ATOM 1288 NZ LYS A 77 -1.040 11.158 -14.674 1.00 0.00 N +ATOM 1289 H LYS A 77 -0.290 7.059 -13.436 1.00 0.00 H +ATOM 1290 HA LYS A 77 -1.340 8.476 -15.684 1.00 0.00 H +ATOM 1291 1HB LYS A 77 1.024 8.653 -14.611 1.00 0.00 H +ATOM 1292 2HB LYS A 77 1.436 7.251 -15.589 1.00 0.00 H +ATOM 1293 1HG LYS A 77 2.178 9.305 -16.645 1.00 0.00 H +ATOM 1294 2HG LYS A 77 0.946 8.512 -17.636 1.00 0.00 H +ATOM 1295 1HD LYS A 77 0.747 11.013 -17.518 1.00 0.00 H +ATOM 1296 2HD LYS A 77 -0.716 10.146 -17.026 1.00 0.00 H +ATOM 1297 1HE LYS A 77 1.034 10.838 -14.763 1.00 0.00 H +ATOM 1298 2HE LYS A 77 0.460 12.237 -15.673 1.00 0.00 H +ATOM 1299 1HZ LYS A 77 -0.955 11.732 -13.847 1.00 0.00 H +ATOM 1300 2HZ LYS A 77 -1.786 11.514 -15.255 1.00 0.00 H +ATOM 1301 3HZ LYS A 77 -1.249 10.208 -14.404 1.00 0.00 H +ATOM 1302 N ARG A 78 -0.548 5.324 -16.285 1.00 0.00 N +ATOM 1303 CA ARG A 78 -0.612 4.350 -17.369 1.00 0.00 C +ATOM 1304 C ARG A 78 -1.944 3.593 -17.429 1.00 0.00 C +ATOM 1305 O ARG A 78 -2.380 3.237 -18.512 1.00 0.00 O +ATOM 1306 CB ARG A 78 0.569 3.378 -17.365 1.00 0.00 C +ATOM 1307 CG ARG A 78 1.913 3.942 -16.907 1.00 0.00 C +ATOM 1308 CD ARG A 78 2.808 4.626 -17.945 1.00 0.00 C +ATOM 1309 NE ARG A 78 3.687 5.628 -17.278 1.00 0.00 N +ATOM 1310 CZ ARG A 78 4.726 5.370 -16.459 1.00 0.00 C +ATOM 1311 NH1 ARG A 78 5.102 4.121 -16.173 1.00 0.00 N +ATOM 1312 NH2 ARG A 78 5.405 6.379 -15.905 1.00 0.00 N +ATOM 1313 H ARG A 78 -0.202 5.033 -15.382 1.00 0.00 H +ATOM 1314 HA ARG A 78 -0.591 4.887 -18.318 1.00 0.00 H +ATOM 1315 1HB ARG A 78 0.344 2.535 -16.714 1.00 0.00 H +ATOM 1316 2HB ARG A 78 0.719 2.984 -18.370 1.00 0.00 H +ATOM 1317 1HG ARG A 78 1.748 4.698 -16.140 1.00 0.00 H +ATOM 1318 2HG ARG A 78 2.525 3.137 -16.498 1.00 0.00 H +ATOM 1319 1HD ARG A 78 3.428 3.879 -18.440 1.00 0.00 H +ATOM 1320 2HD ARG A 78 2.187 5.130 -18.685 1.00 0.00 H +ATOM 1321 HE ARG A 78 3.497 6.607 -17.448 1.00 0.00 H +ATOM 1322 1HH1 ARG A 78 4.604 3.339 -16.574 1.00 0.00 H +ATOM 1323 2HH1 ARG A 78 5.884 3.958 -15.556 1.00 0.00 H +ATOM 1324 1HH2 ARG A 78 5.139 7.335 -16.100 1.00 0.00 H +ATOM 1325 2HH2 ARG A 78 6.183 6.187 -15.292 1.00 0.00 H +ATOM 1326 N LEU A 79 -2.565 3.356 -16.265 1.00 0.00 N +ATOM 1327 CA LEU A 79 -3.772 2.528 -16.104 1.00 0.00 C +ATOM 1328 C LEU A 79 -5.005 3.327 -15.682 1.00 0.00 C +ATOM 1329 O LEU A 79 -6.127 2.831 -15.754 1.00 0.00 O +ATOM 1330 CB LEU A 79 -3.520 1.406 -15.068 1.00 0.00 C +ATOM 1331 CG LEU A 79 -2.238 0.614 -15.313 1.00 0.00 C +ATOM 1332 CD1 LEU A 79 -1.982 -0.564 -14.362 1.00 0.00 C +ATOM 1333 CD2 LEU A 79 -2.283 0.107 -16.752 1.00 0.00 C +ATOM 1334 H LEU A 79 -2.154 3.790 -15.451 1.00 0.00 H +ATOM 1335 HA LEU A 79 -4.008 2.071 -17.064 1.00 0.00 H +ATOM 1336 1HB LEU A 79 -3.468 1.854 -14.077 1.00 0.00 H +ATOM 1337 2HB LEU A 79 -4.364 0.717 -15.089 1.00 0.00 H +ATOM 1338 HG LEU A 79 -1.375 1.263 -15.164 1.00 0.00 H +ATOM 1339 1HD1 LEU A 79 -1.045 -1.051 -14.631 1.00 0.00 H +ATOM 1340 2HD1 LEU A 79 -1.919 -0.197 -13.337 1.00 0.00 H +ATOM 1341 3HD1 LEU A 79 -2.799 -1.280 -14.442 1.00 0.00 H +ATOM 1342 1HD2 LEU A 79 -1.379 -0.465 -16.965 1.00 0.00 H +ATOM 1343 2HD2 LEU A 79 -3.157 -0.531 -16.886 1.00 0.00 H +ATOM 1344 3HD2 LEU A 79 -2.345 0.955 -17.435 1.00 0.00 H +ATOM 1345 N GLY A 80 -4.815 4.560 -15.219 1.00 50.00 N +ATOM 1346 CA GLY A 80 -5.916 5.393 -14.797 1.00 50.00 C +ATOM 1347 C GLY A 80 -6.069 5.570 -13.281 1.00 50.00 C +ATOM 1348 O GLY A 80 -5.678 4.723 -12.481 1.00 50.00 O +ATOM 1349 H GLY A 80 -3.874 4.922 -15.162 1.00 50.00 H +ATOM 1350 1HA GLY A 80 -5.808 6.387 -15.232 1.00 50.00 H +ATOM 1351 2HA GLY A 80 -6.851 4.978 -15.172 1.00 50.00 H +ATOM 1352 N SER A 81 -6.731 6.676 -12.933 1.00 50.00 N +ATOM 1353 CA SER A 81 -7.166 7.017 -11.624 1.00 50.00 C +ATOM 1354 C SER A 81 -7.967 5.938 -10.917 1.00 50.00 C +ATOM 1355 O SER A 81 -7.704 5.631 -9.706 1.00 50.00 O +ATOM 1356 CB SER A 81 -7.983 8.309 -11.714 1.00 50.00 C +ATOM 1357 OG SER A 81 -7.108 9.389 -11.940 1.00 50.00 O +ATOM 1358 H SER A 81 -6.925 7.309 -13.696 1.00 50.00 H +ATOM 1359 HA SER A 81 -6.287 7.179 -10.998 1.00 50.00 H +ATOM 1360 1HB SER A 81 -8.708 8.225 -12.523 1.00 50.00 H +ATOM 1361 2HB SER A 81 -8.540 8.452 -10.789 1.00 50.00 H +ATOM 1362 HG SER A 81 -6.226 9.012 -11.976 1.00 50.00 H +ATOM 1363 N GLY A 82 -8.916 5.346 -11.644 1.00 50.00 N +ATOM 1364 CA GLY A 82 -9.774 4.307 -11.103 1.00 50.00 C +ATOM 1365 C GLY A 82 -9.017 3.094 -10.559 1.00 50.00 C +ATOM 1366 O GLY A 82 -9.344 2.541 -9.500 1.00 50.00 O +ATOM 1367 H GLY A 82 -9.038 5.634 -12.604 1.00 50.00 H +ATOM 1368 1HA GLY A 82 -10.381 4.719 -10.297 1.00 50.00 H +ATOM 1369 2HA GLY A 82 -10.459 3.962 -11.876 1.00 50.00 H +ATOM 1370 N LYS A 83 -8.012 2.659 -11.315 1.00 50.00 N +ATOM 1371 CA LYS A 83 -7.228 1.523 -10.985 1.00 50.00 C +ATOM 1372 C LYS A 83 -6.484 1.815 -9.666 1.00 50.00 C +ATOM 1373 O LYS A 83 -6.444 0.988 -8.771 1.00 50.00 O +ATOM 1374 CB LYS A 83 -6.236 1.280 -12.121 1.00 50.00 C +ATOM 1375 CG LYS A 83 -5.312 0.087 -11.864 1.00 50.00 C +ATOM 1376 CD LYS A 83 -6.051 -1.227 -11.772 1.00 50.00 C +ATOM 1377 CE LYS A 83 -6.484 -1.684 -13.161 1.00 50.00 C +ATOM 1378 NZ LYS A 83 -7.079 -3.019 -12.976 1.00 50.00 N +ATOM 1379 H LYS A 83 -7.806 3.170 -12.162 1.00 50.00 H +ATOM 1380 HA LYS A 83 -7.891 0.663 -10.885 1.00 50.00 H +ATOM 1381 1HB LYS A 83 -6.781 1.104 -13.049 1.00 50.00 H +ATOM 1382 2HB LYS A 83 -5.623 2.170 -12.265 1.00 50.00 H +ATOM 1383 1HG LYS A 83 -4.584 0.009 -12.673 1.00 50.00 H +ATOM 1384 2HG LYS A 83 -4.774 0.238 -10.929 1.00 50.00 H +ATOM 1385 1HD LYS A 83 -5.401 -1.980 -11.325 1.00 50.00 H +ATOM 1386 2HD LYS A 83 -6.929 -1.107 -11.137 1.00 50.00 H +ATOM 1387 1HE LYS A 83 -7.200 -0.973 -13.571 1.00 50.00 H +ATOM 1388 2HE LYS A 83 -5.617 -1.714 -13.821 1.00 50.00 H +ATOM 1389 1HZ LYS A 83 -7.387 -3.378 -13.869 1.00 50.00 H +ATOM 1390 2HZ LYS A 83 -6.389 -3.644 -12.582 1.00 50.00 H +ATOM 1391 3HZ LYS A 83 -7.869 -2.952 -12.350 1.00 50.00 H +ATOM 1392 N LEU A 84 -5.920 3.022 -9.546 1.00 50.00 N +ATOM 1393 CA LEU A 84 -5.195 3.407 -8.334 1.00 50.00 C +ATOM 1394 C LEU A 84 -6.144 3.441 -7.155 1.00 50.00 C +ATOM 1395 O LEU A 84 -5.798 2.966 -6.092 1.00 50.00 O +ATOM 1396 CB LEU A 84 -4.518 4.767 -8.469 1.00 50.00 C +ATOM 1397 CG LEU A 84 -3.633 5.178 -7.271 1.00 50.00 C +ATOM 1398 CD1 LEU A 84 -2.666 4.084 -6.881 1.00 50.00 C +ATOM 1399 CD2 LEU A 84 -2.867 6.467 -7.571 1.00 50.00 C +ATOM 1400 H LEU A 84 -5.994 3.683 -10.306 1.00 50.00 H +ATOM 1401 HA LEU A 84 -4.418 2.667 -8.146 1.00 50.00 H +ATOM 1402 1HB LEU A 84 -3.895 4.758 -9.362 1.00 50.00 H +ATOM 1403 2HB LEU A 84 -5.288 5.528 -8.597 1.00 50.00 H +ATOM 1404 HG LEU A 84 -4.260 5.341 -6.394 1.00 50.00 H +ATOM 1405 1HD1 LEU A 84 -2.064 4.415 -6.035 1.00 50.00 H +ATOM 1406 2HD1 LEU A 84 -3.222 3.189 -6.601 1.00 50.00 H +ATOM 1407 3HD1 LEU A 84 -2.014 3.858 -7.724 1.00 50.00 H +ATOM 1408 1HD2 LEU A 84 -2.253 6.734 -6.711 1.00 50.00 H +ATOM 1409 2HD2 LEU A 84 -2.227 6.316 -8.441 1.00 50.00 H +ATOM 1410 3HD2 LEU A 84 -3.574 7.271 -7.775 1.00 50.00 H +ATOM 1411 N ILE A 85 -7.346 4.006 -7.369 1.00 50.00 N +ATOM 1412 CA ILE A 85 -8.386 3.994 -6.336 1.00 50.00 C +ATOM 1413 C ILE A 85 -8.700 2.604 -5.766 1.00 50.00 C +ATOM 1414 O ILE A 85 -8.708 2.427 -4.542 1.00 50.00 O +ATOM 1415 CB ILE A 85 -9.664 4.685 -6.826 1.00 50.00 C +ATOM 1416 CG1 ILE A 85 -9.420 6.201 -6.885 1.00 50.00 C +ATOM 1417 CG2 ILE A 85 -10.873 4.386 -5.911 1.00 50.00 C +ATOM 1418 CD1 ILE A 85 -10.451 6.950 -7.716 1.00 50.00 C +ATOM 1419 H ILE A 85 -7.539 4.448 -8.257 1.00 50.00 H +ATOM 1420 HA ILE A 85 -8.016 4.537 -5.467 1.00 50.00 H +ATOM 1421 HB ILE A 85 -9.904 4.336 -7.830 1.00 50.00 H +ATOM 1422 1HG1 ILE A 85 -9.428 6.610 -5.875 1.00 50.00 H +ATOM 1423 2HG1 ILE A 85 -8.433 6.395 -7.307 1.00 50.00 H +ATOM 1424 1HG2 ILE A 85 -11.756 4.896 -6.296 1.00 50.00 H +ATOM 1425 2HG2 ILE A 85 -11.056 3.312 -5.889 1.00 50.00 H +ATOM 1426 3HG2 ILE A 85 -10.661 4.739 -4.901 1.00 50.00 H +ATOM 1427 1HD1 ILE A 85 -10.216 8.015 -7.714 1.00 50.00 H +ATOM 1428 2HD1 ILE A 85 -10.434 6.577 -8.741 1.00 50.00 H +ATOM 1429 3HD1 ILE A 85 -11.442 6.797 -7.290 1.00 50.00 H +ATOM 1430 N VAL A 86 -8.944 1.625 -6.642 1.00 50.00 N +ATOM 1431 CA VAL A 86 -9.350 0.301 -6.188 1.00 50.00 C +ATOM 1432 C VAL A 86 -8.211 -0.453 -5.526 1.00 50.00 C +ATOM 1433 O VAL A 86 -8.402 -1.062 -4.491 1.00 50.00 O +ATOM 1434 CB VAL A 86 -9.877 -0.556 -7.378 1.00 50.00 C +ATOM 1435 CG1 VAL A 86 -10.573 -1.827 -6.883 1.00 50.00 C +ATOM 1436 CG2 VAL A 86 -10.771 0.272 -8.291 1.00 50.00 C +ATOM 1437 H VAL A 86 -8.848 1.797 -7.633 1.00 50.00 H +ATOM 1438 HA VAL A 86 -10.156 0.416 -5.462 1.00 50.00 H +ATOM 1439 HB VAL A 86 -9.027 -0.925 -7.953 1.00 50.00 H +ATOM 1440 1HG1 VAL A 86 -10.929 -2.403 -7.737 1.00 50.00 H +ATOM 1441 2HG1 VAL A 86 -9.868 -2.428 -6.309 1.00 50.00 H +ATOM 1442 3HG1 VAL A 86 -11.419 -1.556 -6.251 1.00 50.00 H +ATOM 1443 1HG2 VAL A 86 -11.125 -0.349 -9.114 1.00 50.00 H +ATOM 1444 2HG2 VAL A 86 -11.624 0.645 -7.724 1.00 50.00 H +ATOM 1445 3HG2 VAL A 86 -10.204 1.114 -8.690 1.00 50.00 H +ATOM 1446 N ILE A 87 -7.013 -0.407 -6.121 1.00 0.00 N +ATOM 1447 CA ILE A 87 -5.834 -0.934 -5.428 1.00 0.00 C +ATOM 1448 C ILE A 87 -5.713 -0.384 -4.003 1.00 0.00 C +ATOM 1449 O ILE A 87 -5.573 -1.103 -3.012 1.00 0.00 O +ATOM 1450 CB ILE A 87 -4.572 -0.636 -6.197 1.00 0.00 C +ATOM 1451 CG1 ILE A 87 -4.566 -1.446 -7.467 1.00 0.00 C +ATOM 1452 CG2 ILE A 87 -3.337 -0.963 -5.349 1.00 0.00 C +ATOM 1453 CD1 ILE A 87 -3.393 -1.087 -8.373 1.00 0.00 C +ATOM 1454 H ILE A 87 -6.906 -0.013 -7.045 1.00 0.00 H +ATOM 1455 HA ILE A 87 -5.937 -2.015 -5.345 1.00 0.00 H +ATOM 1456 HB ILE A 87 -4.549 0.420 -6.463 1.00 0.00 H +ATOM 1457 1HG1 ILE A 87 -4.516 -2.506 -7.222 1.00 0.00 H +ATOM 1458 2HG1 ILE A 87 -5.497 -1.280 -8.009 1.00 0.00 H +ATOM 1459 1HG2 ILE A 87 -2.435 -0.743 -5.920 1.00 0.00 H +ATOM 1460 2HG2 ILE A 87 -3.349 -0.360 -4.442 1.00 0.00 H +ATOM 1461 3HG2 ILE A 87 -3.348 -2.020 -5.082 1.00 0.00 H +ATOM 1462 1HD1 ILE A 87 -3.431 -1.696 -9.276 1.00 0.00 H +ATOM 1463 2HD1 ILE A 87 -3.452 -0.032 -8.644 1.00 0.00 H +ATOM 1464 3HD1 ILE A 87 -2.457 -1.275 -7.848 1.00 0.00 H +ATOM 1465 N THR A 88 -5.846 0.924 -3.904 1.00 50.00 N +ATOM 1466 CA THR A 88 -5.744 1.616 -2.627 1.00 50.00 C +ATOM 1467 C THR A 88 -6.850 1.185 -1.663 1.00 50.00 C +ATOM 1468 O THR A 88 -6.545 0.917 -0.528 1.00 50.00 O +ATOM 1469 CB THR A 88 -5.782 3.135 -2.820 1.00 50.00 C +ATOM 1470 OG1 THR A 88 -4.713 3.534 -3.666 1.00 50.00 O +ATOM 1471 CG2 THR A 88 -5.661 3.870 -1.458 1.00 50.00 C +ATOM 1472 H THR A 88 -6.024 1.460 -4.741 1.00 50.00 H +ATOM 1473 HA THR A 88 -4.792 1.352 -2.166 1.00 50.00 H +ATOM 1474 HB THR A 88 -6.722 3.418 -3.293 1.00 50.00 H +ATOM 1475 HG1 THR A 88 -4.207 2.761 -3.927 1.00 50.00 H +ATOM 1476 1HG2 THR A 88 -5.691 4.947 -1.622 1.00 50.00 H +ATOM 1477 2HG2 THR A 88 -6.489 3.578 -0.812 1.00 50.00 H +ATOM 1478 3HG2 THR A 88 -4.718 3.602 -0.983 1.00 50.00 H +ATOM 1479 N LEU A 89 -8.125 1.154 -2.113 1.00 50.00 N +ATOM 1480 CA LEU A 89 -9.231 0.758 -1.219 1.00 50.00 C +ATOM 1481 C LEU A 89 -9.087 -0.650 -0.696 1.00 50.00 C +ATOM 1482 O LEU A 89 -9.369 -0.920 0.481 1.00 50.00 O +ATOM 1483 CB LEU A 89 -10.611 0.882 -1.868 1.00 50.00 C +ATOM 1484 CG LEU A 89 -11.021 2.316 -2.222 1.00 50.00 C +ATOM 1485 CD1 LEU A 89 -12.374 2.304 -2.905 1.00 50.00 C +ATOM 1486 CD2 LEU A 89 -11.036 3.253 -1.008 1.00 50.00 C +ATOM 1487 H LEU A 89 -8.331 1.403 -3.070 1.00 50.00 H +ATOM 1488 HA LEU A 89 -9.224 1.414 -0.349 1.00 50.00 H +ATOM 1489 1HB LEU A 89 -10.620 0.288 -2.781 1.00 50.00 H +ATOM 1490 2HB LEU A 89 -11.355 0.472 -1.185 1.00 50.00 H +ATOM 1491 HG LEU A 89 -10.319 2.727 -2.948 1.00 50.00 H +ATOM 1492 1HD1 LEU A 89 -12.664 3.324 -3.156 1.00 50.00 H +ATOM 1493 2HD1 LEU A 89 -12.316 1.709 -3.817 1.00 50.00 H +ATOM 1494 3HD1 LEU A 89 -13.116 1.871 -2.235 1.00 50.00 H +ATOM 1495 1HD2 LEU A 89 -11.333 4.253 -1.324 1.00 50.00 H +ATOM 1496 2HD2 LEU A 89 -11.746 2.880 -0.269 1.00 50.00 H +ATOM 1497 3HD2 LEU A 89 -10.040 3.293 -0.567 1.00 50.00 H +ATOM 1498 N ILE A 90 -8.712 -1.568 -1.591 1.00 50.00 N +ATOM 1499 CA ILE A 90 -8.711 -2.980 -1.307 1.00 50.00 C +ATOM 1500 C ILE A 90 -7.506 -3.245 -0.406 1.00 50.00 C +ATOM 1501 O ILE A 90 -7.598 -3.961 0.567 1.00 50.00 O +ATOM 1502 CB ILE A 90 -8.637 -3.829 -2.621 1.00 50.00 C +ATOM 1503 CG1 ILE A 90 -9.932 -3.722 -3.437 1.00 50.00 C +ATOM 1504 CG2 ILE A 90 -8.453 -5.299 -2.254 1.00 50.00 C +ATOM 1505 CD1 ILE A 90 -9.913 -4.522 -4.756 1.00 50.00 C +ATOM 1506 H ILE A 90 -8.418 -1.249 -2.503 1.00 50.00 H +ATOM 1507 HA ILE A 90 -9.638 -3.230 -0.793 1.00 50.00 H +ATOM 1508 HB ILE A 90 -7.794 -3.493 -3.224 1.00 50.00 H +ATOM 1509 1HG1 ILE A 90 -10.770 -4.077 -2.838 1.00 50.00 H +ATOM 1510 2HG1 ILE A 90 -10.124 -2.676 -3.679 1.00 50.00 H +ATOM 1511 1HG2 ILE A 90 -8.401 -5.897 -3.163 1.00 50.00 H +ATOM 1512 2HG2 ILE A 90 -7.531 -5.420 -1.688 1.00 50.00 H +ATOM 1513 3HG2 ILE A 90 -9.297 -5.631 -1.649 1.00 50.00 H +ATOM 1514 1HD1 ILE A 90 -10.864 -4.394 -5.273 1.00 50.00 H +ATOM 1515 2HD1 ILE A 90 -9.103 -4.159 -5.390 1.00 50.00 H +ATOM 1516 3HD1 ILE A 90 -9.759 -5.578 -4.539 1.00 50.00 H +ATOM 1517 N SER A 91 -6.362 -2.693 -0.775 1.00 0.00 N +ATOM 1518 CA SER A 91 -5.165 -2.884 0.046 1.00 0.00 C +ATOM 1519 C SER A 91 -5.336 -2.289 1.477 1.00 0.00 C +ATOM 1520 O SER A 91 -4.976 -2.943 2.453 1.00 0.00 O +ATOM 1521 CB SER A 91 -3.895 -2.372 -0.636 1.00 0.00 C +ATOM 1522 OG SER A 91 -3.915 -0.995 -0.810 1.00 0.00 O +ATOM 1523 H SER A 91 -6.298 -2.139 -1.617 1.00 0.00 H +ATOM 1524 HA SER A 91 -5.035 -3.952 0.225 1.00 0.00 H +ATOM 1525 1HB SER A 91 -3.026 -2.643 -0.037 1.00 0.00 H +ATOM 1526 2HB SER A 91 -3.785 -2.852 -1.607 1.00 0.00 H +ATOM 1527 HG SER A 91 -4.751 -0.694 -0.446 1.00 0.00 H +ATOM 1528 N ALA A 92 -5.922 -1.094 1.572 1.00 50.00 N +ATOM 1529 CA ALA A 92 -6.158 -0.463 2.875 1.00 50.00 C +ATOM 1530 C ALA A 92 -7.060 -1.288 3.740 1.00 50.00 C +ATOM 1531 O ALA A 92 -6.823 -1.455 4.911 1.00 50.00 O +ATOM 1532 CB ALA A 92 -6.701 0.950 2.754 1.00 50.00 C +ATOM 1533 H ALA A 92 -6.210 -0.612 0.733 1.00 50.00 H +ATOM 1534 HA ALA A 92 -5.206 -0.409 3.402 1.00 50.00 H +ATOM 1535 1HB ALA A 92 -6.856 1.367 3.749 1.00 50.00 H +ATOM 1536 2HB ALA A 92 -5.988 1.568 2.209 1.00 50.00 H +ATOM 1537 3HB ALA A 92 -7.648 0.931 2.217 1.00 50.00 H +ATOM 1538 N LEU A 93 -8.139 -1.804 3.157 1.00 50.00 N +ATOM 1539 CA LEU A 93 -9.130 -2.540 3.916 1.00 50.00 C +ATOM 1540 C LEU A 93 -8.587 -3.883 4.370 1.00 50.00 C +ATOM 1541 O LEU A 93 -8.762 -4.275 5.538 1.00 50.00 O +ATOM 1542 CB LEU A 93 -10.325 -2.762 3.021 1.00 50.00 C +ATOM 1543 CG LEU A 93 -11.521 -3.362 3.641 1.00 50.00 C +ATOM 1544 CD1 LEU A 93 -12.057 -2.526 4.795 1.00 50.00 C +ATOM 1545 CD2 LEU A 93 -12.540 -3.524 2.505 1.00 50.00 C +ATOM 1546 H LEU A 93 -8.272 -1.681 2.163 1.00 50.00 H +ATOM 1547 HA LEU A 93 -9.419 -1.942 4.779 1.00 50.00 H +ATOM 1548 1HB LEU A 93 -10.629 -1.804 2.603 1.00 50.00 H +ATOM 1549 2HB LEU A 93 -10.028 -3.415 2.201 1.00 50.00 H +ATOM 1550 HG LEU A 93 -11.259 -4.326 4.079 1.00 50.00 H +ATOM 1551 1HD1 LEU A 93 -12.937 -3.011 5.217 1.00 50.00 H +ATOM 1552 2HD1 LEU A 93 -11.290 -2.434 5.564 1.00 50.00 H +ATOM 1553 3HD1 LEU A 93 -12.328 -1.536 4.431 1.00 50.00 H +ATOM 1554 1HD2 LEU A 93 -13.456 -3.967 2.898 1.00 50.00 H +ATOM 1555 2HD2 LEU A 93 -12.765 -2.547 2.076 1.00 50.00 H +ATOM 1556 3HD2 LEU A 93 -12.125 -4.173 1.734 1.00 50.00 H +ATOM 1557 N LEU A 94 -7.966 -4.610 3.431 1.00 50.00 N +ATOM 1558 CA LEU A 94 -7.517 -5.966 3.714 1.00 50.00 C +ATOM 1559 C LEU A 94 -6.316 -5.928 4.667 1.00 50.00 C +ATOM 1560 O LEU A 94 -6.235 -6.738 5.617 1.00 50.00 O +ATOM 1561 CB LEU A 94 -7.195 -6.752 2.432 1.00 50.00 C +ATOM 1562 CG LEU A 94 -8.393 -7.468 1.809 1.00 50.00 C +ATOM 1563 CD1 LEU A 94 -9.393 -6.499 1.237 1.00 50.00 C +ATOM 1564 CD2 LEU A 94 -7.954 -8.399 0.706 1.00 50.00 C +ATOM 1565 H LEU A 94 -7.804 -4.219 2.514 1.00 50.00 H +ATOM 1566 HA LEU A 94 -8.315 -6.493 4.236 1.00 50.00 H +ATOM 1567 1HB LEU A 94 -6.787 -6.062 1.695 1.00 50.00 H +ATOM 1568 2HB LEU A 94 -6.433 -7.496 2.663 1.00 50.00 H +ATOM 1569 HG LEU A 94 -8.907 -8.051 2.574 1.00 50.00 H +ATOM 1570 1HD1 LEU A 94 -10.228 -7.051 0.805 1.00 50.00 H +ATOM 1571 2HD1 LEU A 94 -9.761 -5.846 2.029 1.00 50.00 H +ATOM 1572 3HD1 LEU A 94 -8.916 -5.898 0.463 1.00 50.00 H +ATOM 1573 1HD2 LEU A 94 -8.826 -8.896 0.281 1.00 50.00 H +ATOM 1574 2HD2 LEU A 94 -7.446 -7.828 -0.072 1.00 50.00 H +ATOM 1575 3HD2 LEU A 94 -7.272 -9.147 1.111 1.00 50.00 H +ATOM 1576 N SER A 95 -5.415 -4.960 4.454 1.00 50.00 N +ATOM 1577 CA SER A 95 -4.230 -4.880 5.286 1.00 50.00 C +ATOM 1578 C SER A 95 -4.613 -4.532 6.698 1.00 50.00 C +ATOM 1579 O SER A 95 -4.114 -5.116 7.657 1.00 50.00 O +ATOM 1580 CB SER A 95 -3.213 -3.911 4.686 1.00 50.00 C +ATOM 1581 OG SER A 95 -3.678 -2.577 4.728 1.00 50.00 O +ATOM 1582 H SER A 95 -5.547 -4.280 3.719 1.00 50.00 H +ATOM 1583 HA SER A 95 -3.776 -5.871 5.338 1.00 50.00 H +ATOM 1584 1HB SER A 95 -2.274 -3.983 5.234 1.00 50.00 H +ATOM 1585 2HB SER A 95 -3.011 -4.190 3.653 1.00 50.00 H +ATOM 1586 HG SER A 95 -4.546 -2.612 5.137 1.00 50.00 H +ATOM 1587 N GLY A 96 -5.590 -3.634 6.844 1.00 50.00 N +ATOM 1588 CA GLY A 96 -6.087 -3.270 8.168 1.00 50.00 C +ATOM 1589 C GLY A 96 -6.762 -4.436 8.867 1.00 50.00 C +ATOM 1590 O GLY A 96 -6.613 -4.635 10.100 1.00 50.00 O +ATOM 1591 H GLY A 96 -5.995 -3.196 6.029 1.00 50.00 H +ATOM 1592 1HA GLY A 96 -5.260 -2.914 8.782 1.00 50.00 H +ATOM 1593 2HA GLY A 96 -6.796 -2.448 8.077 1.00 50.00 H +ATOM 1594 N TYR A 97 -7.569 -5.191 8.106 1.00 50.00 N +ATOM 1595 CA TYR A 97 -8.290 -6.287 8.694 1.00 50.00 C +ATOM 1596 C TYR A 97 -7.294 -7.303 9.260 1.00 50.00 C +ATOM 1597 O TYR A 97 -7.494 -7.813 10.362 1.00 50.00 O +ATOM 1598 CB TYR A 97 -9.250 -6.949 7.687 1.00 50.00 C +ATOM 1599 CG TYR A 97 -9.519 -8.374 7.968 1.00 50.00 C +ATOM 1600 CD1 TYR A 97 -10.347 -8.775 8.992 1.00 50.00 C +ATOM 1601 CD2 TYR A 97 -8.884 -9.347 7.235 1.00 50.00 C +ATOM 1602 CE1 TYR A 97 -10.532 -10.110 9.272 1.00 50.00 C +ATOM 1603 CE2 TYR A 97 -9.093 -10.678 7.495 1.00 50.00 C +ATOM 1604 CZ TYR A 97 -9.902 -11.053 8.518 1.00 50.00 C +ATOM 1605 OH TYR A 97 -10.075 -12.435 8.689 1.00 50.00 O +ATOM 1606 H TYR A 97 -7.680 -5.002 7.120 1.00 50.00 H +ATOM 1607 HA TYR A 97 -8.885 -5.904 9.524 1.00 50.00 H +ATOM 1608 1HB TYR A 97 -10.202 -6.416 7.687 1.00 50.00 H +ATOM 1609 2HB TYR A 97 -8.833 -6.873 6.683 1.00 50.00 H +ATOM 1610 HD1 TYR A 97 -10.868 -8.031 9.595 1.00 50.00 H +ATOM 1611 HD2 TYR A 97 -8.201 -9.067 6.433 1.00 50.00 H +ATOM 1612 HE1 TYR A 97 -11.191 -10.410 10.086 1.00 50.00 H +ATOM 1613 HE2 TYR A 97 -8.608 -11.436 6.880 1.00 50.00 H +ATOM 1614 HH TYR A 97 -9.568 -12.905 8.022 1.00 50.00 H +ATOM 1615 N VAL A 98 -6.266 -7.642 8.465 1.00 50.00 N +ATOM 1616 CA VAL A 98 -5.312 -8.664 8.858 1.00 50.00 C +ATOM 1617 C VAL A 98 -4.441 -8.204 10.028 1.00 50.00 C +ATOM 1618 O VAL A 98 -4.173 -8.969 10.946 1.00 50.00 O +ATOM 1619 CB VAL A 98 -4.425 -9.049 7.669 1.00 50.00 C +ATOM 1620 CG1 VAL A 98 -3.289 -9.957 8.138 1.00 50.00 C +ATOM 1621 CG2 VAL A 98 -5.264 -9.766 6.594 1.00 50.00 C +ATOM 1622 H VAL A 98 -6.152 -7.178 7.575 1.00 50.00 H +ATOM 1623 HA VAL A 98 -5.864 -9.546 9.183 1.00 50.00 H +ATOM 1624 HB VAL A 98 -3.989 -8.144 7.245 1.00 50.00 H +ATOM 1625 1HG1 VAL A 98 -2.663 -10.226 7.287 1.00 50.00 H +ATOM 1626 2HG1 VAL A 98 -2.687 -9.433 8.879 1.00 50.00 H +ATOM 1627 3HG1 VAL A 98 -3.705 -10.861 8.581 1.00 50.00 H +ATOM 1628 1HG2 VAL A 98 -4.625 -10.035 5.753 1.00 50.00 H +ATOM 1629 2HG2 VAL A 98 -5.705 -10.668 7.018 1.00 50.00 H +ATOM 1630 3HG2 VAL A 98 -6.057 -9.102 6.249 1.00 50.00 H +ATOM 1631 N GLN A 99 -3.981 -6.953 9.959 1.00 0.00 N +ATOM 1632 CA GLN A 99 -3.238 -6.349 11.038 1.00 0.00 C +ATOM 1633 C GLN A 99 -3.975 -6.405 12.343 1.00 0.00 C +ATOM 1634 O GLN A 99 -3.384 -6.788 13.386 1.00 0.00 O +ATOM 1635 CB GLN A 99 -2.867 -4.919 10.741 1.00 0.00 C +ATOM 1636 CG GLN A 99 -1.925 -4.309 11.812 1.00 0.00 C +ATOM 1637 CD GLN A 99 -0.648 -5.101 12.038 1.00 0.00 C +ATOM 1638 OE1 GLN A 99 -0.090 -5.670 11.095 1.00 0.00 O +ATOM 1639 NE2 GLN A 99 -0.218 -5.211 13.309 1.00 0.00 N +ATOM 1640 H GLN A 99 -4.160 -6.415 9.123 1.00 0.00 H +ATOM 1641 HA GLN A 99 -2.315 -6.911 11.179 1.00 0.00 H +ATOM 1642 1HB GLN A 99 -2.375 -4.865 9.770 1.00 0.00 H +ATOM 1643 2HB GLN A 99 -3.771 -4.313 10.684 1.00 0.00 H +ATOM 1644 1HG GLN A 99 -1.636 -3.306 11.498 1.00 0.00 H +ATOM 1645 2HG GLN A 99 -2.454 -4.264 12.764 1.00 0.00 H +ATOM 1646 1HE2 GLN A 99 0.618 -5.722 13.512 1.00 0.00 H +ATOM 1647 2HE2 GLN A 99 -0.734 -4.782 14.051 1.00 0.00 H +ATOM 1648 N GLN A 100 -5.255 -6.016 12.332 1.00 50.00 N +ATOM 1649 CA GLN A 100 -5.995 -5.975 13.596 1.00 50.00 C +ATOM 1650 C GLN A 100 -6.266 -7.363 14.120 1.00 50.00 C +ATOM 1651 O GLN A 100 -6.235 -7.573 15.322 1.00 50.00 O +ATOM 1652 CB GLN A 100 -7.257 -5.133 13.563 1.00 50.00 C +ATOM 1653 CG GLN A 100 -8.380 -5.569 12.629 1.00 50.00 C +ATOM 1654 CD GLN A 100 -9.225 -6.715 13.139 1.00 50.00 C +ATOM 1655 OE1 GLN A 100 -9.472 -6.808 14.363 1.00 50.00 O +ATOM 1656 NE2 GLN A 100 -9.605 -7.683 12.195 1.00 50.00 N +ATOM 1657 H GLN A 100 -5.725 -5.750 11.478 1.00 50.00 H +ATOM 1658 HA GLN A 100 -5.351 -5.540 14.360 1.00 50.00 H +ATOM 1659 1HB GLN A 100 -7.694 -5.093 14.561 1.00 50.00 H +ATOM 1660 2HB GLN A 100 -7.006 -4.112 13.275 1.00 50.00 H +ATOM 1661 1HG GLN A 100 -9.051 -4.726 12.466 1.00 50.00 H +ATOM 1662 2HG GLN A 100 -7.947 -5.890 11.682 1.00 50.00 H +ATOM 1663 1HE2 GLN A 100 -10.165 -8.464 12.476 1.00 50.00 H +ATOM 1664 2HE2 GLN A 100 -9.317 -7.593 11.242 1.00 50.00 H +ATOM 1665 N LYS A 101 -6.472 -8.333 13.220 1.00 50.00 N +ATOM 1666 CA LYS A 101 -6.681 -9.723 13.636 1.00 50.00 C +ATOM 1667 C LYS A 101 -5.500 -10.280 14.454 1.00 50.00 C +ATOM 1668 O LYS A 101 -5.719 -10.974 15.393 1.00 50.00 O +ATOM 1669 CB LYS A 101 -6.895 -10.634 12.429 1.00 50.00 C +ATOM 1670 CG LYS A 101 -7.287 -12.058 12.764 1.00 50.00 C +ATOM 1671 CD LYS A 101 -8.474 -12.147 13.720 1.00 50.00 C +ATOM 1672 CE LYS A 101 -9.673 -11.284 13.326 1.00 50.00 C +ATOM 1673 NZ LYS A 101 -10.721 -11.377 14.389 1.00 50.00 N +ATOM 1674 H LYS A 101 -6.484 -8.107 12.236 1.00 50.00 H +ATOM 1675 HA LYS A 101 -7.574 -9.767 14.261 1.00 50.00 H +ATOM 1676 1HB LYS A 101 -7.677 -10.218 11.793 1.00 50.00 H +ATOM 1677 2HB LYS A 101 -5.980 -10.675 11.837 1.00 50.00 H +ATOM 1678 1HG LYS A 101 -7.552 -12.588 11.848 1.00 50.00 H +ATOM 1679 2HG LYS A 101 -6.443 -12.568 13.227 1.00 50.00 H +ATOM 1680 1HD LYS A 101 -8.821 -13.180 13.775 1.00 50.00 H +ATOM 1681 2HD LYS A 101 -8.163 -11.833 14.716 1.00 50.00 H +ATOM 1682 1HE LYS A 101 -9.353 -10.250 13.205 1.00 50.00 H +ATOM 1683 2HE LYS A 101 -10.074 -11.631 12.374 1.00 50.00 H +ATOM 1684 1HZ LYS A 101 -11.515 -10.808 14.131 1.00 50.00 H +ATOM 1685 2HZ LYS A 101 -11.015 -12.339 14.490 1.00 50.00 H +ATOM 1686 3HZ LYS A 101 -10.342 -11.048 15.265 1.00 50.00 H +ATOM 1687 N PHE A 102 -4.264 -9.996 14.037 1.00 50.00 N +ATOM 1688 CA PHE A 102 -3.069 -10.555 14.677 1.00 50.00 C +ATOM 1689 C PHE A 102 -2.668 -9.771 15.906 1.00 50.00 C +ATOM 1690 O PHE A 102 -2.255 -10.357 16.860 1.00 50.00 O +ATOM 1691 CB PHE A 102 -1.839 -10.534 13.768 1.00 50.00 C +ATOM 1692 CG PHE A 102 -1.901 -11.454 12.572 1.00 50.00 C +ATOM 1693 CD1 PHE A 102 -2.862 -12.455 12.445 1.00 50.00 C +ATOM 1694 CD2 PHE A 102 -0.918 -11.337 11.570 1.00 50.00 C +ATOM 1695 CE1 PHE A 102 -2.866 -13.295 11.330 1.00 50.00 C +ATOM 1696 CE2 PHE A 102 -0.914 -12.178 10.463 1.00 50.00 C +ATOM 1697 CZ PHE A 102 -1.892 -13.156 10.344 1.00 50.00 C +ATOM 1698 H PHE A 102 -4.154 -9.372 13.250 1.00 50.00 H +ATOM 1699 HA PHE A 102 -3.268 -11.597 14.932 1.00 50.00 H +ATOM 1700 1HB PHE A 102 -1.682 -9.524 13.392 1.00 50.00 H +ATOM 1701 2HB PHE A 102 -0.957 -10.810 14.344 1.00 50.00 H +ATOM 1702 HD1 PHE A 102 -3.612 -12.575 13.227 1.00 50.00 H +ATOM 1703 HD2 PHE A 102 -0.153 -10.566 11.672 1.00 50.00 H +ATOM 1704 HE1 PHE A 102 -3.633 -14.062 11.229 1.00 50.00 H +ATOM 1705 HE2 PHE A 102 -0.151 -12.075 9.692 1.00 50.00 H +ATOM 1706 HZ PHE A 102 -1.894 -13.816 9.477 1.00 50.00 H +ATOM 1707 N SER A 103 -2.801 -8.443 15.854 1.00 0.00 N +ATOM 1708 CA SER A 103 -2.190 -7.538 16.816 1.00 0.00 C +ATOM 1709 C SER A 103 -3.041 -6.399 17.376 1.00 0.00 C +ATOM 1710 O SER A 103 -2.533 -5.548 18.090 1.00 0.00 O +ATOM 1711 CB SER A 103 -1.010 -6.901 16.091 1.00 0.00 C +ATOM 1712 OG SER A 103 -0.155 -7.948 15.732 1.00 0.00 O +ATOM 1713 H SER A 103 -3.357 -8.060 15.103 1.00 0.00 H +ATOM 1714 HA SER A 103 -1.851 -8.121 17.673 1.00 0.00 H +ATOM 1715 1HB SER A 103 -1.371 -6.353 15.221 1.00 0.00 H +ATOM 1716 2HB SER A 103 -0.522 -6.184 16.750 1.00 0.00 H +ATOM 1717 HG SER A 103 -0.572 -8.752 16.052 1.00 0.00 H +ATOM 1718 N GLY A 104 -4.315 -6.325 16.976 1.00 0.00 N +ATOM 1719 CA GLY A 104 -5.217 -5.309 17.481 1.00 0.00 C +ATOM 1720 C GLY A 104 -5.236 -4.009 16.680 1.00 0.00 C +ATOM 1721 O GLY A 104 -4.581 -3.850 15.652 1.00 0.00 O +ATOM 1722 H GLY A 104 -4.657 -6.996 16.303 1.00 0.00 H +ATOM 1723 1HA GLY A 104 -6.234 -5.702 17.500 1.00 0.00 H +ATOM 1724 2HA GLY A 104 -4.949 -5.062 18.508 1.00 0.00 H +ATOM 1725 N PRO A 105 -6.068 -3.048 17.121 1.00 0.00 N +ATOM 1726 CA PRO A 105 -6.440 -1.913 16.282 1.00 0.00 C +ATOM 1727 C PRO A 105 -5.457 -0.681 16.228 1.00 0.00 C +ATOM 1728 O PRO A 105 -5.726 0.307 15.537 1.00 0.00 O +ATOM 1729 CB PRO A 105 -7.760 -1.519 16.927 1.00 0.00 C +ATOM 1730 CG PRO A 105 -7.526 -1.820 18.398 1.00 0.00 C +ATOM 1731 CD PRO A 105 -6.796 -3.114 18.390 1.00 0.00 C +ATOM 1732 HA PRO A 105 -6.571 -2.257 15.245 1.00 0.00 H +ATOM 1733 1HB PRO A 105 -7.975 -0.459 16.727 1.00 0.00 H +ATOM 1734 2HB PRO A 105 -8.582 -2.102 16.487 1.00 0.00 H +ATOM 1735 1HG PRO A 105 -6.949 -1.008 18.865 1.00 0.00 H +ATOM 1736 2HG PRO A 105 -8.486 -1.875 18.932 1.00 0.00 H +ATOM 1737 1HD PRO A 105 -6.118 -3.158 19.255 1.00 0.00 H +ATOM 1738 2HD PRO A 105 -7.518 -3.943 18.420 1.00 0.00 H +ATOM 1739 N TRP A 106 -4.367 -0.740 16.992 1.00 0.00 N +ATOM 1740 CA TRP A 106 -3.498 0.422 17.226 1.00 0.00 C +ATOM 1741 C TRP A 106 -2.361 0.393 16.263 1.00 0.00 C +ATOM 1742 O TRP A 106 -1.195 0.124 16.642 1.00 0.00 O +ATOM 1743 CB TRP A 106 -2.977 0.415 18.663 1.00 0.00 C +ATOM 1744 CG TRP A 106 -4.087 0.430 19.601 1.00 0.00 C +ATOM 1745 CD1 TRP A 106 -4.515 -0.604 20.362 1.00 0.00 C +ATOM 1746 CD2 TRP A 106 -4.992 1.513 19.833 1.00 0.00 C +ATOM 1747 NE1 TRP A 106 -5.592 -0.214 21.128 1.00 0.00 N +ATOM 1748 CE2 TRP A 106 -5.934 1.072 20.791 1.00 0.00 C +ATOM 1749 CE3 TRP A 106 -5.101 2.806 19.333 1.00 0.00 C +ATOM 1750 CZ2 TRP A 106 -6.967 1.876 21.254 1.00 0.00 C +ATOM 1751 CZ3 TRP A 106 -6.162 3.615 19.799 1.00 0.00 C +ATOM 1752 CH2 TRP A 106 -7.062 3.140 20.765 1.00 0.00 C +ATOM 1753 H TRP A 106 -4.135 -1.623 17.425 1.00 0.00 H +ATOM 1754 HA TRP A 106 -4.083 1.328 17.071 1.00 0.00 H +ATOM 1755 1HB TRP A 106 -2.364 -0.472 18.824 1.00 0.00 H +ATOM 1756 2HB TRP A 106 -2.341 1.285 18.824 1.00 0.00 H +ATOM 1757 HD1 TRP A 106 -4.072 -1.598 20.367 1.00 0.00 H +ATOM 1758 HE1 TRP A 106 -6.055 -0.781 21.824 1.00 0.00 H +ATOM 1759 HE3 TRP A 106 -4.388 3.189 18.604 1.00 0.00 H +ATOM 1760 HZ2 TRP A 106 -7.690 1.523 21.990 1.00 0.00 H +ATOM 1761 HZ3 TRP A 106 -6.265 4.620 19.388 1.00 0.00 H +ATOM 1762 HH2 TRP A 106 -7.852 3.797 21.129 1.00 0.00 H +ATOM 1763 N PHE A 107 -2.709 0.640 14.997 1.00 0.00 N +ATOM 1764 CA PHE A 107 -1.764 0.669 13.907 1.00 0.00 C +ATOM 1765 C PHE A 107 -2.133 1.791 12.969 1.00 0.00 C +ATOM 1766 O PHE A 107 -3.244 2.341 13.025 1.00 0.00 O +ATOM 1767 CB PHE A 107 -1.780 -0.683 13.192 1.00 0.00 C +ATOM 1768 CG PHE A 107 -3.055 -0.981 12.478 1.00 0.00 C +ATOM 1769 CD1 PHE A 107 -4.101 -1.552 13.148 1.00 0.00 C +ATOM 1770 CD2 PHE A 107 -3.202 -0.668 11.145 1.00 0.00 C +ATOM 1771 CE1 PHE A 107 -5.286 -1.837 12.510 1.00 0.00 C +ATOM 1772 CE2 PHE A 107 -4.388 -0.947 10.489 1.00 0.00 C +ATOM 1773 CZ PHE A 107 -5.435 -1.512 11.190 1.00 0.00 C +ATOM 1774 H PHE A 107 -3.686 0.814 14.806 1.00 0.00 H +ATOM 1775 HA PHE A 107 -0.769 0.848 14.316 1.00 0.00 H +ATOM 1776 1HB PHE A 107 -0.970 -0.719 12.464 1.00 0.00 H +ATOM 1777 2HB PHE A 107 -1.605 -1.479 13.915 1.00 0.00 H +ATOM 1778 HD1 PHE A 107 -3.991 -1.784 14.208 1.00 0.00 H +ATOM 1779 HD2 PHE A 107 -2.369 -0.222 10.600 1.00 0.00 H +ATOM 1780 HE1 PHE A 107 -6.097 -2.318 13.057 1.00 0.00 H +ATOM 1781 HE2 PHE A 107 -4.500 -0.726 9.428 1.00 0.00 H +ATOM 1782 HZ PHE A 107 -6.382 -1.699 10.685 1.00 0.00 H +ATOM 1783 N GLY A 108 -1.192 2.152 12.097 1.00 0.00 N +ATOM 1784 CA GLY A 108 -1.459 3.141 11.089 1.00 0.00 C +ATOM 1785 C GLY A 108 -0.352 3.178 10.084 1.00 0.00 C +ATOM 1786 O GLY A 108 0.717 2.636 10.301 1.00 0.00 O +ATOM 1787 H GLY A 108 -0.276 1.728 12.140 1.00 0.00 H +ATOM 1788 1HA GLY A 108 -2.404 2.912 10.596 1.00 0.00 H +ATOM 1789 2HA GLY A 108 -1.570 4.118 11.558 1.00 0.00 H +ATOM 1790 N GLY A 109 -0.607 3.856 8.974 1.00 0.00 N +ATOM 1791 CA GLY A 109 0.409 4.042 7.971 1.00 0.00 C +ATOM 1792 C GLY A 109 0.014 3.548 6.596 1.00 0.00 C +ATOM 1793 O GLY A 109 -0.753 2.586 6.452 1.00 0.00 O +ATOM 1794 H GLY A 109 -1.525 4.250 8.824 1.00 0.00 H +ATOM 1795 1HA GLY A 109 0.656 5.101 7.895 1.00 0.00 H +ATOM 1796 2HA GLY A 109 1.317 3.521 8.272 1.00 0.00 H +ATOM 1797 N LEU A 110 0.604 4.186 5.588 1.00 0.00 N +ATOM 1798 CA LEU A 110 0.424 3.859 4.190 1.00 0.00 C +ATOM 1799 C LEU A 110 1.186 2.611 3.628 1.00 0.00 C +ATOM 1800 O LEU A 110 0.993 2.204 2.505 1.00 0.00 O +ATOM 1801 CB LEU A 110 0.718 5.128 3.351 1.00 0.00 C +ATOM 1802 CG LEU A 110 0.154 5.105 1.933 1.00 0.00 C +ATOM 1803 CD1 LEU A 110 -1.387 5.048 1.998 1.00 0.00 C +ATOM 1804 CD2 LEU A 110 0.647 6.371 1.227 1.00 0.00 C +ATOM 1805 H LEU A 110 1.216 4.949 5.840 1.00 0.00 H +ATOM 1806 HA LEU A 110 -0.609 3.550 4.038 1.00 0.00 H +ATOM 1807 1HB LEU A 110 0.300 5.991 3.868 1.00 0.00 H +ATOM 1808 2HB LEU A 110 1.798 5.258 3.284 1.00 0.00 H +ATOM 1809 HG LEU A 110 0.510 4.214 1.414 1.00 0.00 H +ATOM 1810 1HD1 LEU A 110 -1.793 5.031 0.987 1.00 0.00 H +ATOM 1811 2HD1 LEU A 110 -1.696 4.146 2.527 1.00 0.00 H +ATOM 1812 3HD1 LEU A 110 -1.761 5.925 2.525 1.00 0.00 H +ATOM 1813 1HD2 LEU A 110 0.264 6.391 0.206 1.00 0.00 H +ATOM 1814 2HD2 LEU A 110 0.291 7.250 1.765 1.00 0.00 H +ATOM 1815 3HD2 LEU A 110 1.737 6.375 1.206 1.00 0.00 H +ATOM 1816 N SER A 111 2.024 1.979 4.429 1.00 0.00 N +ATOM 1817 CA SER A 111 2.845 0.888 3.946 1.00 0.00 C +ATOM 1818 C SER A 111 2.089 -0.351 3.481 1.00 0.00 C +ATOM 1819 O SER A 111 2.634 -1.120 2.676 1.00 0.00 O +ATOM 1820 CB SER A 111 3.898 0.485 4.992 1.00 0.00 C +ATOM 1821 OG SER A 111 3.320 -0.053 6.194 1.00 0.00 O +ATOM 1822 H SER A 111 2.097 2.258 5.397 1.00 0.00 H +ATOM 1823 HA SER A 111 3.364 1.218 3.045 1.00 0.00 H +ATOM 1824 1HB SER A 111 4.568 -0.261 4.565 1.00 0.00 H +ATOM 1825 2HB SER A 111 4.500 1.354 5.255 1.00 0.00 H +ATOM 1826 HG SER A 111 2.369 -0.036 6.061 1.00 0.00 H +ATOM 1827 N GLY A 112 0.858 -0.562 3.971 1.00 0.00 N +ATOM 1828 CA GLY A 112 0.035 -1.663 3.484 1.00 0.00 C +ATOM 1829 C GLY A 112 -0.209 -1.434 2.009 1.00 0.00 C +ATOM 1830 O GLY A 112 -0.034 -2.335 1.146 1.00 0.00 O +ATOM 1831 H GLY A 112 0.490 0.047 4.688 1.00 0.00 H +ATOM 1832 1HA GLY A 112 0.548 -2.608 3.663 1.00 0.00 H +ATOM 1833 2HA GLY A 112 -0.899 -1.694 4.044 1.00 0.00 H +ATOM 1834 N VAL A 113 -0.603 -0.192 1.714 1.00 50.00 N +ATOM 1835 CA VAL A 113 -0.867 0.283 0.356 1.00 50.00 C +ATOM 1836 C VAL A 113 0.414 0.290 -0.469 1.00 50.00 C +ATOM 1837 O VAL A 113 0.432 -0.103 -1.577 1.00 50.00 O +ATOM 1838 CB VAL A 113 -1.508 1.687 0.352 1.00 50.00 C +ATOM 1839 CG1 VAL A 113 -1.660 2.166 -1.059 1.00 50.00 C +ATOM 1840 CG2 VAL A 113 -2.865 1.687 1.021 1.00 50.00 C +ATOM 1841 H VAL A 113 -0.721 0.444 2.489 1.00 50.00 H +ATOM 1842 HA VAL A 113 -1.564 -0.406 -0.122 1.00 50.00 H +ATOM 1843 HB VAL A 113 -0.856 2.376 0.890 1.00 50.00 H +ATOM 1844 1HG1 VAL A 113 -2.113 3.158 -1.060 1.00 50.00 H +ATOM 1845 2HG1 VAL A 113 -0.680 2.214 -1.534 1.00 50.00 H +ATOM 1846 3HG1 VAL A 113 -2.299 1.476 -1.611 1.00 50.00 H +ATOM 1847 1HG2 VAL A 113 -3.282 2.693 0.998 1.00 50.00 H +ATOM 1848 2HG2 VAL A 113 -3.532 1.006 0.492 1.00 50.00 H +ATOM 1849 3HG2 VAL A 113 -2.760 1.362 2.056 1.00 50.00 H +ATOM 1850 N VAL A 114 1.508 0.767 0.113 1.00 0.00 N +ATOM 1851 CA VAL A 114 2.762 0.775 -0.584 1.00 0.00 C +ATOM 1852 C VAL A 114 3.197 -0.628 -0.973 1.00 0.00 C +ATOM 1853 O VAL A 114 3.678 -0.814 -2.114 1.00 0.00 O +ATOM 1854 CB VAL A 114 3.842 1.485 0.225 1.00 0.00 C +ATOM 1855 CG1 VAL A 114 5.199 1.247 -0.375 1.00 0.00 C +ATOM 1856 CG2 VAL A 114 3.541 2.962 0.244 1.00 0.00 C +ATOM 1857 H VAL A 114 1.466 1.130 1.055 1.00 0.00 H +ATOM 1858 HA VAL A 114 2.632 1.312 -1.524 1.00 0.00 H +ATOM 1859 HB VAL A 114 3.841 1.090 1.241 1.00 0.00 H +ATOM 1860 1HG1 VAL A 114 5.955 1.762 0.218 1.00 0.00 H +ATOM 1861 2HG1 VAL A 114 5.411 0.178 -0.382 1.00 0.00 H +ATOM 1862 3HG1 VAL A 114 5.218 1.629 -1.396 1.00 0.00 H +ATOM 1863 1HG2 VAL A 114 4.306 3.482 0.820 1.00 0.00 H +ATOM 1864 2HG2 VAL A 114 3.532 3.345 -0.777 1.00 0.00 H +ATOM 1865 3HG2 VAL A 114 2.566 3.129 0.702 1.00 0.00 H +ATOM 1866 N TYR A 115 3.043 -1.596 -0.049 1.00 0.00 N +ATOM 1867 CA TYR A 115 3.414 -2.996 -0.328 1.00 0.00 C +ATOM 1868 C TYR A 115 2.578 -3.556 -1.496 1.00 0.00 C +ATOM 1869 O TYR A 115 3.112 -4.264 -2.333 1.00 0.00 O +ATOM 1870 CB TYR A 115 3.320 -3.943 0.896 1.00 0.00 C +ATOM 1871 CG TYR A 115 4.556 -3.954 1.826 1.00 0.00 C +ATOM 1872 CD1 TYR A 115 5.159 -2.779 2.226 1.00 0.00 C +ATOM 1873 CD2 TYR A 115 5.076 -5.152 2.331 1.00 0.00 C +ATOM 1874 CE1 TYR A 115 6.236 -2.770 3.059 1.00 0.00 C +ATOM 1875 CE2 TYR A 115 6.156 -5.157 3.195 1.00 0.00 C +ATOM 1876 CZ TYR A 115 6.735 -3.950 3.563 1.00 0.00 C +ATOM 1877 OH TYR A 115 7.822 -3.893 4.430 1.00 0.00 O +ATOM 1878 H TYR A 115 2.665 -1.358 0.857 1.00 0.00 H +ATOM 1879 HA TYR A 115 4.452 -3.019 -0.662 1.00 0.00 H +ATOM 1880 1HB TYR A 115 2.458 -3.666 1.505 1.00 0.00 H +ATOM 1881 2HB TYR A 115 3.164 -4.965 0.554 1.00 0.00 H +ATOM 1882 HD1 TYR A 115 4.774 -1.822 1.874 1.00 0.00 H +ATOM 1883 HD2 TYR A 115 4.630 -6.104 2.044 1.00 0.00 H +ATOM 1884 HE1 TYR A 115 6.688 -1.824 3.355 1.00 0.00 H +ATOM 1885 HE2 TYR A 115 6.543 -6.101 3.578 1.00 0.00 H +ATOM 1886 HH TYR A 115 8.065 -4.783 4.696 1.00 0.00 H +ATOM 1887 N ALA A 116 1.272 -3.244 -1.524 1.00 50.00 N +ATOM 1888 CA ALA A 116 0.378 -3.644 -2.626 1.00 50.00 C +ATOM 1889 C ALA A 116 0.883 -3.072 -3.969 1.00 50.00 C +ATOM 1890 O ALA A 116 0.976 -3.781 -4.968 1.00 50.00 O +ATOM 1891 CB ALA A 116 -1.030 -3.160 -2.328 1.00 50.00 C +ATOM 1892 H ALA A 116 0.895 -2.712 -0.753 1.00 50.00 H +ATOM 1893 HA ALA A 116 0.382 -4.732 -2.687 1.00 50.00 H +ATOM 1894 1HB ALA A 116 -1.695 -3.453 -3.140 1.00 50.00 H +ATOM 1895 2HB ALA A 116 -1.378 -3.605 -1.396 1.00 50.00 H +ATOM 1896 3HB ALA A 116 -1.029 -2.075 -2.234 1.00 50.00 H +ATOM 1897 N LEU A 117 1.307 -1.803 -3.960 1.00 0.00 N +ATOM 1898 CA LEU A 117 1.793 -1.174 -5.192 1.00 0.00 C +ATOM 1899 C LEU A 117 3.062 -1.832 -5.692 1.00 0.00 C +ATOM 1900 O LEU A 117 3.231 -2.090 -6.909 1.00 0.00 O +ATOM 1901 CB LEU A 117 2.021 0.336 -4.980 1.00 0.00 C +ATOM 1902 CG LEU A 117 0.732 1.105 -4.829 1.00 0.00 C +ATOM 1903 CD1 LEU A 117 1.067 2.545 -4.468 1.00 0.00 C +ATOM 1904 CD2 LEU A 117 -0.071 1.040 -6.123 1.00 0.00 C +ATOM 1905 H LEU A 117 1.296 -1.266 -3.105 1.00 0.00 H +ATOM 1906 HA LEU A 117 1.039 -1.305 -5.968 1.00 0.00 H +ATOM 1907 1HB LEU A 117 2.628 0.474 -4.086 1.00 0.00 H +ATOM 1908 2HB LEU A 117 2.575 0.727 -5.833 1.00 0.00 H +ATOM 1909 HG LEU A 117 0.143 0.672 -4.020 1.00 0.00 H +ATOM 1910 1HD1 LEU A 117 0.145 3.116 -4.355 1.00 0.00 H +ATOM 1911 2HD1 LEU A 117 1.623 2.565 -3.530 1.00 0.00 H +ATOM 1912 3HD1 LEU A 117 1.672 2.987 -5.259 1.00 0.00 H +ATOM 1913 1HD2 LEU A 117 -1.000 1.598 -6.003 1.00 0.00 H +ATOM 1914 2HD2 LEU A 117 0.512 1.476 -6.935 1.00 0.00 H +ATOM 1915 3HD2 LEU A 117 -0.300 0.000 -6.358 1.00 0.00 H +ATOM 1916 N MET A 118 3.969 -2.096 -4.748 1.00 50.00 N +ATOM 1917 CA MET A 118 5.201 -2.771 -5.073 1.00 50.00 C +ATOM 1918 C MET A 118 4.967 -4.096 -5.740 1.00 50.00 C +ATOM 1919 O MET A 118 5.547 -4.372 -6.811 1.00 50.00 O +ATOM 1920 CB MET A 118 6.032 -2.963 -3.833 1.00 50.00 C +ATOM 1921 CG MET A 118 6.762 -1.697 -3.397 1.00 50.00 C +ATOM 1922 SD MET A 118 7.500 -2.061 -1.777 1.00 50.00 S +ATOM 1923 CE MET A 118 8.512 -0.606 -1.567 1.00 50.00 C +ATOM 1924 H MET A 118 3.796 -1.822 -3.791 1.00 50.00 H +ATOM 1925 HA MET A 118 5.759 -2.153 -5.777 1.00 50.00 H +ATOM 1926 1HB MET A 118 5.393 -3.293 -3.015 1.00 50.00 H +ATOM 1927 2HB MET A 118 6.771 -3.746 -4.008 1.00 50.00 H +ATOM 1928 1HG MET A 118 7.521 -1.442 -4.136 1.00 50.00 H +ATOM 1929 2HG MET A 118 6.054 -0.871 -3.338 1.00 50.00 H +ATOM 1930 1HE MET A 118 9.040 -0.664 -0.615 1.00 50.00 H +ATOM 1931 2HE MET A 118 9.235 -0.545 -2.381 1.00 50.00 H +ATOM 1932 3HE MET A 118 7.879 0.282 -1.577 1.00 50.00 H +ATOM 1933 N GLY A 119 4.128 -4.921 -5.109 1.00 50.00 N +ATOM 1934 CA GLY A 119 3.780 -6.215 -5.668 1.00 50.00 C +ATOM 1935 C GLY A 119 3.013 -6.118 -7.011 1.00 50.00 C +ATOM 1936 O GLY A 119 3.228 -6.907 -7.928 1.00 50.00 O +ATOM 1937 H GLY A 119 3.726 -4.643 -4.225 1.00 50.00 H +ATOM 1938 1HA GLY A 119 4.687 -6.798 -5.828 1.00 50.00 H +ATOM 1939 2HA GLY A 119 3.165 -6.765 -4.956 1.00 50.00 H +ATOM 1940 N TYR A 120 2.094 -5.146 -7.090 1.00 0.00 N +ATOM 1941 CA TYR A 120 1.310 -4.902 -8.270 1.00 0.00 C +ATOM 1942 C TYR A 120 2.201 -4.575 -9.482 1.00 0.00 C +ATOM 1943 O TYR A 120 2.107 -5.247 -10.564 1.00 0.00 O +ATOM 1944 CB TYR A 120 0.268 -3.789 -8.056 1.00 0.00 C +ATOM 1945 CG TYR A 120 -0.656 -3.729 -9.246 1.00 0.00 C +ATOM 1946 CD1 TYR A 120 -1.761 -4.582 -9.374 1.00 0.00 C +ATOM 1947 CD2 TYR A 120 -0.395 -2.853 -10.276 1.00 0.00 C +ATOM 1948 CE1 TYR A 120 -2.583 -4.520 -10.496 1.00 0.00 C +ATOM 1949 CE2 TYR A 120 -1.183 -2.785 -11.390 1.00 0.00 C +ATOM 1950 CZ TYR A 120 -2.276 -3.617 -11.508 1.00 0.00 C +ATOM 1951 OH TYR A 120 -2.971 -3.472 -12.648 1.00 0.00 O +ATOM 1952 H TYR A 120 1.954 -4.564 -6.277 1.00 0.00 H +ATOM 1953 HA TYR A 120 0.774 -5.817 -8.524 1.00 0.00 H +ATOM 1954 1HB TYR A 120 -0.297 -3.990 -7.145 1.00 0.00 H +ATOM 1955 2HB TYR A 120 0.777 -2.835 -7.922 1.00 0.00 H +ATOM 1956 HD1 TYR A 120 -1.985 -5.305 -8.589 1.00 0.00 H +ATOM 1957 HD2 TYR A 120 0.464 -2.185 -10.219 1.00 0.00 H +ATOM 1958 HE1 TYR A 120 -3.439 -5.189 -10.582 1.00 0.00 H +ATOM 1959 HE2 TYR A 120 -0.946 -2.075 -12.183 1.00 0.00 H +ATOM 1960 HH TYR A 120 -2.561 -2.791 -13.187 1.00 0.00 H +ATOM 1961 N VAL A 121 3.017 -3.519 -9.321 1.00 50.00 N +ATOM 1962 CA VAL A 121 3.800 -2.988 -10.441 1.00 50.00 C +ATOM 1963 C VAL A 121 4.821 -4.036 -10.855 1.00 50.00 C +ATOM 1964 O VAL A 121 4.985 -4.342 -12.051 1.00 50.00 O +ATOM 1965 CB VAL A 121 4.453 -1.625 -10.146 1.00 50.00 C +ATOM 1966 CG1 VAL A 121 5.414 -1.209 -11.276 1.00 50.00 C +ATOM 1967 CG2 VAL A 121 3.388 -0.562 -9.926 1.00 50.00 C +ATOM 1968 H VAL A 121 3.095 -3.081 -8.414 1.00 50.00 H +ATOM 1969 HA VAL A 121 3.134 -2.847 -11.293 1.00 50.00 H +ATOM 1970 HB VAL A 121 5.064 -1.712 -9.248 1.00 50.00 H +ATOM 1971 1HG1 VAL A 121 5.859 -0.243 -11.038 1.00 50.00 H +ATOM 1972 2HG1 VAL A 121 6.201 -1.956 -11.377 1.00 50.00 H +ATOM 1973 3HG1 VAL A 121 4.862 -1.132 -12.213 1.00 50.00 H +ATOM 1974 1HG2 VAL A 121 3.866 0.395 -9.718 1.00 50.00 H +ATOM 1975 2HG2 VAL A 121 2.772 -0.473 -10.821 1.00 50.00 H +ATOM 1976 3HG2 VAL A 121 2.761 -0.845 -9.081 1.00 50.00 H +ATOM 1977 N TRP A 122 5.474 -4.644 -9.863 1.00 50.00 N +ATOM 1978 CA TRP A 122 6.471 -5.652 -10.166 1.00 50.00 C +ATOM 1979 C TRP A 122 5.866 -6.834 -10.982 1.00 50.00 C +ATOM 1980 O TRP A 122 6.376 -7.200 -12.039 1.00 50.00 O +ATOM 1981 CB TRP A 122 7.098 -6.217 -8.883 1.00 50.00 C +ATOM 1982 CG TRP A 122 8.104 -7.242 -9.233 1.00 50.00 C +ATOM 1983 CD1 TRP A 122 9.278 -7.032 -9.857 1.00 50.00 C +ATOM 1984 CD2 TRP A 122 7.981 -8.647 -9.059 1.00 50.00 C +ATOM 1985 NE1 TRP A 122 9.919 -8.220 -10.058 1.00 50.00 N +ATOM 1986 CE2 TRP A 122 9.141 -9.230 -9.567 1.00 50.00 C +ATOM 1987 CE3 TRP A 122 7.004 -9.467 -8.500 1.00 50.00 C +ATOM 1988 CZ2 TRP A 122 9.360 -10.612 -9.550 1.00 50.00 C +ATOM 1989 CZ3 TRP A 122 7.228 -10.841 -8.476 1.00 50.00 C +ATOM 1990 CH2 TRP A 122 8.392 -11.399 -9.011 1.00 50.00 C +ATOM 1991 H TRP A 122 5.285 -4.413 -8.898 1.00 50.00 H +ATOM 1992 HA TRP A 122 7.261 -5.190 -10.758 1.00 50.00 H +ATOM 1993 1HB TRP A 122 7.561 -5.408 -8.318 1.00 50.00 H +ATOM 1994 2HB TRP A 122 6.318 -6.649 -8.257 1.00 50.00 H +ATOM 1995 HD1 TRP A 122 9.658 -6.057 -10.157 1.00 50.00 H +ATOM 1996 HE1 TRP A 122 10.821 -8.335 -10.498 1.00 50.00 H +ATOM 1997 HE3 TRP A 122 6.087 -9.046 -8.089 1.00 50.00 H +ATOM 1998 HZ2 TRP A 122 10.271 -11.059 -9.949 1.00 50.00 H +ATOM 1999 HZ3 TRP A 122 6.463 -11.474 -8.025 1.00 50.00 H +ATOM 2000 HH2 TRP A 122 8.527 -12.481 -8.998 1.00 50.00 H +ATOM 2001 N LEU A 123 4.798 -7.431 -10.436 1.00 50.00 N +ATOM 2002 CA LEU A 123 4.236 -8.639 -10.992 1.00 50.00 C +ATOM 2003 C LEU A 123 3.578 -8.340 -12.350 1.00 50.00 C +ATOM 2004 O LEU A 123 3.724 -9.102 -13.289 1.00 50.00 O +ATOM 2005 CB LEU A 123 3.242 -9.306 -10.025 1.00 50.00 C +ATOM 2006 CG LEU A 123 2.717 -10.640 -10.622 1.00 50.00 C +ATOM 2007 CD1 LEU A 123 3.851 -11.614 -10.939 1.00 50.00 C +ATOM 2008 CD2 LEU A 123 1.678 -11.292 -9.719 1.00 50.00 C +ATOM 2009 H LEU A 123 4.375 -7.025 -9.614 1.00 50.00 H +ATOM 2010 HA LEU A 123 5.046 -9.343 -11.180 1.00 50.00 H +ATOM 2011 1HB LEU A 123 3.747 -9.487 -9.078 1.00 50.00 H +ATOM 2012 2HB LEU A 123 2.416 -8.618 -9.847 1.00 50.00 H +ATOM 2013 HG LEU A 123 2.256 -10.449 -11.592 1.00 50.00 H +ATOM 2014 1HD1 LEU A 123 3.436 -12.533 -11.354 1.00 50.00 H +ATOM 2015 2HD1 LEU A 123 4.527 -11.162 -11.665 1.00 50.00 H +ATOM 2016 3HD1 LEU A 123 4.399 -11.844 -10.026 1.00 50.00 H +ATOM 2017 1HD2 LEU A 123 1.335 -12.223 -10.172 1.00 50.00 H +ATOM 2018 2HD2 LEU A 123 2.123 -11.504 -8.747 1.00 50.00 H +ATOM 2019 3HD2 LEU A 123 0.832 -10.617 -9.591 1.00 50.00 H +ATOM 2020 N ARG A 124 2.880 -7.201 -12.438 1.00 0.00 N +ATOM 2021 CA ARG A 124 2.221 -6.812 -13.684 1.00 0.00 C +ATOM 2022 C ARG A 124 3.280 -6.664 -14.777 1.00 0.00 C +ATOM 2023 O ARG A 124 3.098 -7.141 -15.879 1.00 0.00 O +ATOM 2024 CB ARG A 124 1.417 -5.541 -13.460 1.00 0.00 C +ATOM 2025 CG ARG A 124 0.528 -5.098 -14.593 1.00 0.00 C +ATOM 2026 CD ARG A 124 -0.784 -5.868 -14.693 1.00 0.00 C +ATOM 2027 NE ARG A 124 -1.470 -5.582 -15.960 1.00 0.00 N +ATOM 2028 CZ ARG A 124 -2.321 -4.576 -16.184 1.00 0.00 C +ATOM 2029 NH1 ARG A 124 -2.663 -3.708 -15.249 1.00 0.00 N +ATOM 2030 NH2 ARG A 124 -2.867 -4.452 -17.369 1.00 0.00 N +ATOM 2031 H ARG A 124 2.805 -6.597 -11.632 1.00 0.00 H +ATOM 2032 HA ARG A 124 1.545 -7.614 -13.983 1.00 0.00 H +ATOM 2033 1HB ARG A 124 0.776 -5.665 -12.589 1.00 0.00 H +ATOM 2034 2HB ARG A 124 2.095 -4.713 -13.252 1.00 0.00 H +ATOM 2035 1HG ARG A 124 0.273 -4.046 -14.465 1.00 0.00 H +ATOM 2036 2HG ARG A 124 1.051 -5.232 -15.540 1.00 0.00 H +ATOM 2037 1HD ARG A 124 -0.583 -6.938 -14.640 1.00 0.00 H +ATOM 2038 2HD ARG A 124 -1.438 -5.581 -13.871 1.00 0.00 H +ATOM 2039 HE ARG A 124 -1.289 -6.197 -16.742 1.00 0.00 H +ATOM 2040 1HH1 ARG A 124 -2.277 -3.789 -14.319 1.00 0.00 H +ATOM 2041 2HH1 ARG A 124 -3.310 -2.963 -15.464 1.00 0.00 H +ATOM 2042 1HH2 ARG A 124 -2.643 -5.113 -18.100 1.00 0.00 H +ATOM 2043 2HH2 ARG A 124 -3.511 -3.697 -17.551 1.00 0.00 H +ATOM 2044 N GLY A 125 4.393 -6.009 -14.432 1.00 50.00 N +ATOM 2045 CA GLY A 125 5.570 -5.927 -15.273 1.00 50.00 C +ATOM 2046 C GLY A 125 6.050 -7.286 -15.737 1.00 50.00 C +ATOM 2047 O GLY A 125 6.206 -7.513 -16.921 1.00 50.00 O +ATOM 2048 H GLY A 125 4.399 -5.551 -13.532 1.00 50.00 H +ATOM 2049 1HA GLY A 125 5.351 -5.311 -16.146 1.00 50.00 H +ATOM 2050 2HA GLY A 125 6.374 -5.435 -14.726 1.00 50.00 H +ATOM 2051 N GLU A 126 6.255 -8.206 -14.797 1.00 50.00 N +ATOM 2052 CA GLU A 126 6.746 -9.536 -15.137 1.00 50.00 C +ATOM 2053 C GLU A 126 5.807 -10.314 -16.067 1.00 50.00 C +ATOM 2054 O GLU A 126 6.267 -10.978 -16.989 1.00 50.00 O +ATOM 2055 CB GLU A 126 7.039 -10.355 -13.869 1.00 50.00 C +ATOM 2056 CG GLU A 126 8.192 -9.810 -13.037 1.00 50.00 C +ATOM 2057 CD GLU A 126 9.507 -9.667 -13.814 1.00 50.00 C +ATOM 2058 OE1 GLU A 126 10.253 -10.654 -13.907 1.00 50.00 O +ATOM 2059 OE2 GLU A 126 9.809 -8.552 -14.316 1.00 50.00 O +ATOM 2060 H GLU A 126 6.068 -7.983 -13.830 1.00 50.00 H +ATOM 2061 HA GLU A 126 7.674 -9.429 -15.700 1.00 50.00 H +ATOM 2062 1HB GLU A 126 6.149 -10.382 -13.240 1.00 50.00 H +ATOM 2063 2HB GLU A 126 7.276 -11.382 -14.146 1.00 50.00 H +ATOM 2064 1HG GLU A 126 7.915 -8.830 -12.650 1.00 50.00 H +ATOM 2065 2HG GLU A 126 8.358 -10.472 -12.188 1.00 50.00 H +ATOM 2066 N ARG A 127 4.493 -10.236 -15.816 1.00 0.00 N +ATOM 2067 CA ARG A 127 3.518 -11.098 -16.495 1.00 0.00 C +ATOM 2068 C ARG A 127 2.929 -10.485 -17.761 1.00 0.00 C +ATOM 2069 O ARG A 127 2.431 -11.182 -18.611 1.00 0.00 O +ATOM 2070 CB ARG A 127 2.382 -11.466 -15.540 1.00 0.00 C +ATOM 2071 CG ARG A 127 2.787 -12.411 -14.416 1.00 0.00 C +ATOM 2072 CD ARG A 127 1.581 -13.121 -13.799 1.00 0.00 C +ATOM 2073 NE ARG A 127 1.003 -14.101 -14.719 1.00 0.00 N +ATOM 2074 CZ ARG A 127 -0.292 -14.237 -15.015 1.00 0.00 C +ATOM 2075 NH1 ARG A 127 -1.225 -13.501 -14.432 1.00 0.00 N +ATOM 2076 NH2 ARG A 127 -0.666 -15.148 -15.897 1.00 0.00 N +ATOM 2077 H ARG A 127 4.166 -9.562 -15.138 1.00 0.00 H +ATOM 2078 HA ARG A 127 4.023 -12.012 -16.808 1.00 0.00 H +ATOM 2079 1HB ARG A 127 1.980 -10.561 -15.087 1.00 0.00 H +ATOM 2080 2HB ARG A 127 1.575 -11.938 -16.100 1.00 0.00 H +ATOM 2081 1HG ARG A 127 3.465 -13.171 -14.806 1.00 0.00 H +ATOM 2082 2HG ARG A 127 3.288 -11.847 -13.629 1.00 0.00 H +ATOM 2083 1HD ARG A 127 1.890 -13.641 -12.893 1.00 0.00 H +ATOM 2084 2HD ARG A 127 0.814 -12.388 -13.553 1.00 0.00 H +ATOM 2085 HE ARG A 127 1.635 -14.742 -15.181 1.00 0.00 H +ATOM 2086 1HH1 ARG A 127 -0.966 -12.812 -13.741 1.00 0.00 H +ATOM 2087 2HH1 ARG A 127 -2.196 -13.629 -14.678 1.00 0.00 H +ATOM 2088 1HH2 ARG A 127 0.026 -15.735 -16.342 1.00 0.00 H +ATOM 2089 2HH2 ARG A 127 -1.643 -15.257 -16.126 1.00 0.00 H +ATOM 2090 N ASP A 128 2.991 -9.161 -17.870 1.00 0.00 N +ATOM 2091 CA ASP A 128 2.188 -8.414 -18.819 1.00 0.00 C +ATOM 2092 C ASP A 128 3.015 -7.181 -19.165 1.00 0.00 C +ATOM 2093 O ASP A 128 2.616 -6.051 -18.889 1.00 0.00 O +ATOM 2094 CB ASP A 128 0.866 -8.053 -18.129 1.00 0.00 C +ATOM 2095 CG ASP A 128 -0.161 -7.438 -19.057 1.00 0.00 C +ATOM 2096 OD1 ASP A 128 -0.006 -7.503 -20.296 1.00 0.00 O +ATOM 2097 OD2 ASP A 128 -1.147 -6.893 -18.503 1.00 0.00 O +ATOM 2098 H ASP A 128 3.626 -8.663 -17.263 1.00 0.00 H +ATOM 2099 HA ASP A 128 1.995 -9.049 -19.684 1.00 0.00 H +ATOM 2100 1HB ASP A 128 0.430 -8.949 -17.686 1.00 0.00 H +ATOM 2101 2HB ASP A 128 1.058 -7.348 -17.320 1.00 0.00 H +ATOM 2102 N PRO A 129 4.226 -7.395 -19.731 1.00 0.00 N +ATOM 2103 CA PRO A 129 5.109 -6.314 -20.169 1.00 0.00 C +ATOM 2104 C PRO A 129 4.489 -5.026 -20.743 1.00 0.00 C +ATOM 2105 O PRO A 129 4.764 -3.952 -20.239 1.00 0.00 O +ATOM 2106 CB PRO A 129 5.948 -7.003 -21.263 1.00 0.00 C +ATOM 2107 CG PRO A 129 5.945 -8.464 -20.915 1.00 0.00 C +ATOM 2108 CD PRO A 129 4.830 -8.724 -19.941 1.00 0.00 C +ATOM 2109 HA PRO A 129 5.737 -5.995 -19.324 1.00 0.00 H +ATOM 2110 1HB PRO A 129 5.506 -6.812 -22.252 1.00 0.00 H +ATOM 2111 2HB PRO A 129 6.964 -6.583 -21.278 1.00 0.00 H +ATOM 2112 1HG PRO A 129 5.812 -9.070 -21.823 1.00 0.00 H +ATOM 2113 2HG PRO A 129 6.913 -8.753 -20.479 1.00 0.00 H +ATOM 2114 1HD PRO A 129 4.109 -9.425 -20.387 1.00 0.00 H +ATOM 2115 2HD PRO A 129 5.245 -9.135 -19.009 1.00 0.00 H +ATOM 2116 N GLN A 130 3.697 -5.132 -21.807 1.00 0.00 N +ATOM 2117 CA GLN A 130 3.330 -3.943 -22.569 1.00 0.00 C +ATOM 2118 C GLN A 130 1.940 -3.380 -22.244 1.00 0.00 C +ATOM 2119 O GLN A 130 1.258 -2.836 -23.110 1.00 0.00 O +ATOM 2120 CB GLN A 130 3.517 -4.154 -24.087 1.00 0.00 C +ATOM 2121 CG GLN A 130 4.795 -4.886 -24.528 1.00 0.00 C +ATOM 2122 CD GLN A 130 6.113 -4.367 -23.934 1.00 0.00 C +ATOM 2123 OE1 GLN A 130 6.153 -3.534 -23.020 1.00 0.00 O +ATOM 2124 NE2 GLN A 130 7.210 -4.888 -24.463 1.00 0.00 N +ATOM 2125 H GLN A 130 3.342 -6.032 -22.098 1.00 0.00 H +ATOM 2126 HA GLN A 130 3.977 -3.122 -22.261 1.00 0.00 H +ATOM 2127 1HB GLN A 130 2.677 -4.726 -24.481 1.00 0.00 H +ATOM 2128 2HB GLN A 130 3.520 -3.188 -24.591 1.00 0.00 H +ATOM 2129 1HG GLN A 130 4.720 -5.934 -24.238 1.00 0.00 H +ATOM 2130 2HG GLN A 130 4.893 -4.804 -25.610 1.00 0.00 H +ATOM 2131 1HE2 GLN A 130 8.110 -4.603 -24.131 1.00 0.00 H +ATOM 2132 2HE2 GLN A 130 7.139 -5.567 -25.194 1.00 0.00 H +ATOM 2133 N SER A 131 1.541 -3.499 -20.974 1.00 0.00 N +ATOM 2134 CA SER A 131 0.605 -2.561 -20.361 1.00 0.00 C +ATOM 2135 C SER A 131 1.388 -1.294 -19.981 1.00 0.00 C +ATOM 2136 O SER A 131 0.791 -0.296 -19.554 1.00 0.00 O +ATOM 2137 CB SER A 131 -0.082 -3.172 -19.139 1.00 0.00 C +ATOM 2138 OG SER A 131 0.777 -4.049 -18.428 1.00 0.00 O +ATOM 2139 H SER A 131 1.901 -4.265 -20.423 1.00 0.00 H +ATOM 2140 HA SER A 131 -0.164 -2.311 -21.093 1.00 0.00 H +ATOM 2141 1HB SER A 131 -0.411 -2.376 -18.471 1.00 0.00 H +ATOM 2142 2HB SER A 131 -0.968 -3.720 -19.456 1.00 0.00 H +ATOM 2143 HG SER A 131 1.611 -4.046 -18.904 1.00 0.00 H +ATOM 2144 N GLY A 132 2.724 -1.359 -20.153 1.00 0.00 N +ATOM 2145 CA GLY A 132 3.627 -0.240 -20.001 1.00 0.00 C +ATOM 2146 C GLY A 132 3.926 0.067 -18.541 1.00 0.00 C +ATOM 2147 O GLY A 132 4.341 1.179 -18.207 1.00 0.00 O +ATOM 2148 H GLY A 132 3.098 -2.262 -20.405 1.00 0.00 H +ATOM 2149 1HA GLY A 132 4.562 -0.454 -20.520 1.00 0.00 H +ATOM 2150 2HA GLY A 132 3.194 0.643 -20.470 1.00 0.00 H +ATOM 2151 N ILE A 133 3.704 -0.916 -17.663 1.00 0.00 N +ATOM 2152 CA ILE A 133 3.998 -0.763 -16.254 1.00 0.00 C +ATOM 2153 C ILE A 133 4.976 -1.885 -15.849 1.00 0.00 C +ATOM 2154 O ILE A 133 4.755 -3.067 -16.148 1.00 0.00 O +ATOM 2155 CB ILE A 133 2.686 -0.724 -15.403 1.00 0.00 C +ATOM 2156 CG1 ILE A 133 2.872 0.176 -14.185 1.00 0.00 C +ATOM 2157 CG2 ILE A 133 2.203 -2.122 -15.014 1.00 0.00 C +ATOM 2158 CD1 ILE A 133 2.061 -0.228 -12.962 1.00 0.00 C +ATOM 2159 H ILE A 133 3.320 -1.790 -17.993 1.00 0.00 H +ATOM 2160 HA ILE A 133 4.526 0.179 -16.111 1.00 0.00 H +ATOM 2161 HB ILE A 133 1.895 -0.242 -15.976 1.00 0.00 H +ATOM 2162 1HG1 ILE A 133 3.923 0.186 -13.898 1.00 0.00 H +ATOM 2163 2HG1 ILE A 133 2.594 1.199 -14.442 1.00 0.00 H +ATOM 2164 1HG2 ILE A 133 1.290 -2.040 -14.424 1.00 0.00 H +ATOM 2165 2HG2 ILE A 133 2.002 -2.701 -15.914 1.00 0.00 H +ATOM 2166 3HG2 ILE A 133 2.972 -2.622 -14.425 1.00 0.00 H +ATOM 2167 1HD1 ILE A 133 2.258 0.470 -12.148 1.00 0.00 H +ATOM 2168 2HD1 ILE A 133 0.999 -0.209 -13.207 1.00 0.00 H +ATOM 2169 3HD1 ILE A 133 2.344 -1.233 -12.654 1.00 0.00 H +ATOM 2170 N TYR A 134 6.081 -1.500 -15.201 1.00 50.00 N +ATOM 2171 CA TYR A 134 7.049 -2.463 -14.656 1.00 50.00 C +ATOM 2172 C TYR A 134 7.906 -1.803 -13.575 1.00 50.00 C +ATOM 2173 O TYR A 134 7.943 -0.587 -13.446 1.00 50.00 O +ATOM 2174 CB TYR A 134 7.937 -3.039 -15.770 1.00 50.00 C +ATOM 2175 CG TYR A 134 8.900 -2.022 -16.317 1.00 50.00 C +ATOM 2176 CD1 TYR A 134 8.461 -1.022 -17.198 1.00 50.00 C +ATOM 2177 CD2 TYR A 134 10.253 -2.039 -15.955 1.00 50.00 C +ATOM 2178 CE1 TYR A 134 9.341 -0.073 -17.699 1.00 50.00 C +ATOM 2179 CE2 TYR A 134 11.135 -1.092 -16.446 1.00 50.00 C +ATOM 2180 CZ TYR A 134 10.674 -0.114 -17.314 1.00 50.00 C +ATOM 2181 OH TYR A 134 11.542 0.820 -17.815 1.00 50.00 O +ATOM 2182 H TYR A 134 6.252 -0.511 -15.085 1.00 50.00 H +ATOM 2183 HA TYR A 134 6.499 -3.284 -14.195 1.00 50.00 H +ATOM 2184 1HB TYR A 134 8.501 -3.889 -15.383 1.00 50.00 H +ATOM 2185 2HB TYR A 134 7.310 -3.405 -16.582 1.00 50.00 H +ATOM 2186 HD1 TYR A 134 7.414 -0.982 -17.499 1.00 50.00 H +ATOM 2187 HD2 TYR A 134 10.626 -2.807 -15.277 1.00 50.00 H +ATOM 2188 HE1 TYR A 134 8.982 0.696 -18.382 1.00 50.00 H +ATOM 2189 HE2 TYR A 134 12.184 -1.119 -16.150 1.00 50.00 H +ATOM 2190 HH TYR A 134 12.422 0.656 -17.468 1.00 50.00 H +ATOM 2191 N LEU A 135 8.584 -2.631 -12.782 1.00 50.00 N +ATOM 2192 CA LEU A 135 9.495 -2.154 -11.752 1.00 50.00 C +ATOM 2193 C LEU A 135 10.906 -2.493 -12.240 1.00 50.00 C +ATOM 2194 O LEU A 135 11.294 -3.664 -12.280 1.00 50.00 O +ATOM 2195 CB LEU A 135 9.165 -2.810 -10.405 1.00 50.00 C +ATOM 2196 CG LEU A 135 9.821 -2.159 -9.195 1.00 50.00 C +ATOM 2197 CD1 LEU A 135 9.403 -0.705 -9.022 1.00 50.00 C +ATOM 2198 CD2 LEU A 135 9.497 -2.957 -7.948 1.00 50.00 C +ATOM 2199 H LEU A 135 8.457 -3.625 -12.905 1.00 50.00 H +ATOM 2200 HA LEU A 135 9.373 -1.076 -11.655 1.00 50.00 H +ATOM 2201 1HB LEU A 135 8.086 -2.782 -10.260 1.00 50.00 H +ATOM 2202 2HB LEU A 135 9.479 -3.853 -10.440 1.00 50.00 H +ATOM 2203 HG LEU A 135 10.902 -2.133 -9.337 1.00 50.00 H +ATOM 2204 1HD1 LEU A 135 9.898 -0.286 -8.146 1.00 50.00 H +ATOM 2205 2HD1 LEU A 135 9.690 -0.136 -9.907 1.00 50.00 H +ATOM 2206 3HD1 LEU A 135 8.323 -0.650 -8.889 1.00 50.00 H +ATOM 2207 1HD2 LEU A 135 9.969 -2.489 -7.083 1.00 50.00 H +ATOM 2208 2HD2 LEU A 135 8.417 -2.982 -7.803 1.00 50.00 H +ATOM 2209 3HD2 LEU A 135 9.872 -3.974 -8.059 1.00 50.00 H +ATOM 2210 N GLN A 136 11.657 -1.461 -12.640 1.00 50.00 N +ATOM 2211 CA GLN A 136 13.041 -1.614 -13.051 1.00 50.00 C +ATOM 2212 C GLN A 136 13.819 -2.347 -11.919 1.00 50.00 C +ATOM 2213 O GLN A 136 13.624 -2.081 -10.726 1.00 50.00 O +ATOM 2214 CB GLN A 136 13.665 -0.236 -13.417 1.00 50.00 C +ATOM 2215 CG GLN A 136 14.777 -0.294 -14.464 1.00 50.00 C +ATOM 2216 CD GLN A 136 15.318 1.074 -14.929 1.00 50.00 C +ATOM 2217 OE1 GLN A 136 15.077 1.483 -16.069 1.00 50.00 O +ATOM 2218 NE2 GLN A 136 16.074 1.760 -14.071 1.00 50.00 N +ATOM 2219 H GLN A 136 11.238 -0.542 -12.654 1.00 50.00 H +ATOM 2220 HA GLN A 136 13.071 -2.252 -13.934 1.00 50.00 H +ATOM 2221 1HB GLN A 136 12.887 0.426 -13.797 1.00 50.00 H +ATOM 2222 2HB GLN A 136 14.079 0.226 -12.521 1.00 50.00 H +ATOM 2223 1HG GLN A 136 15.623 -0.843 -14.051 1.00 50.00 H +ATOM 2224 2HG GLN A 136 14.400 -0.802 -15.352 1.00 50.00 H +ATOM 2225 1HE2 GLN A 136 16.445 2.652 -14.333 1.00 50.00 H +ATOM 2226 2HE2 GLN A 136 16.271 1.384 -13.165 1.00 50.00 H +ATOM 2227 N ARG A 137 14.635 -3.319 -12.325 1.00 50.00 N +ATOM 2228 CA ARG A 137 15.623 -4.027 -11.511 1.00 50.00 C +ATOM 2229 C ARG A 137 16.142 -3.294 -10.287 1.00 50.00 C +ATOM 2230 O ARG A 137 15.964 -3.717 -9.137 1.00 50.00 O +ATOM 2231 CB ARG A 137 16.822 -4.296 -12.412 1.00 50.00 C +ATOM 2232 CG ARG A 137 16.655 -5.482 -13.326 1.00 50.00 C +ATOM 2233 CD ARG A 137 17.906 -5.620 -14.157 1.00 50.00 C +ATOM 2234 NE ARG A 137 17.924 -6.937 -14.724 1.00 50.00 N +ATOM 2235 CZ ARG A 137 18.919 -7.440 -15.404 1.00 50.00 C +ATOM 2236 NH1 ARG A 137 20.015 -6.751 -15.648 1.00 50.00 N +ATOM 2237 NH2 ARG A 137 18.810 -8.667 -15.831 1.00 50.00 N +ATOM 2238 H ARG A 137 14.533 -3.565 -13.299 1.00 50.00 H +ATOM 2239 HA ARG A 137 15.183 -4.966 -11.172 1.00 50.00 H +ATOM 2240 1HB ARG A 137 17.016 -3.421 -13.030 1.00 50.00 H +ATOM 2241 2HB ARG A 137 17.707 -4.466 -11.799 1.00 50.00 H +ATOM 2242 1HG ARG A 137 16.501 -6.382 -12.730 1.00 50.00 H +ATOM 2243 2HG ARG A 137 15.792 -5.324 -13.974 1.00 50.00 H +ATOM 2244 1HD ARG A 137 17.901 -4.872 -14.949 1.00 50.00 H +ATOM 2245 2HD ARG A 137 18.781 -5.473 -13.525 1.00 50.00 H +ATOM 2246 HE ARG A 137 17.108 -7.519 -14.588 1.00 50.00 H +ATOM 2247 1HH1 ARG A 137 20.103 -5.805 -15.306 1.00 50.00 H +ATOM 2248 2HH1 ARG A 137 20.767 -7.169 -16.177 1.00 50.00 H +ATOM 2249 1HH2 ARG A 137 17.973 -9.199 -15.633 1.00 50.00 H +ATOM 2250 2HH2 ARG A 137 19.561 -9.086 -16.359 1.00 50.00 H +ATOM 2251 N GLY A 138 16.804 -2.165 -10.552 1.00 50.00 N +ATOM 2252 CA GLY A 138 17.296 -1.302 -9.512 1.00 50.00 C +ATOM 2253 C GLY A 138 16.267 -1.061 -8.463 1.00 50.00 C +ATOM 2254 O GLY A 138 16.453 -1.386 -7.307 1.00 50.00 O +ATOM 2255 H GLY A 138 16.962 -1.912 -11.517 1.00 50.00 H +ATOM 2256 1HA GLY A 138 18.180 -1.748 -9.057 1.00 50.00 H +ATOM 2257 2HA GLY A 138 17.603 -0.350 -9.944 1.00 50.00 H +ATOM 2258 N LEU A 139 15.144 -0.470 -8.863 1.00 0.00 N +ATOM 2259 CA LEU A 139 14.143 -0.162 -7.901 1.00 0.00 C +ATOM 2260 C LEU A 139 13.598 -1.384 -7.233 1.00 0.00 C +ATOM 2261 O LEU A 139 13.144 -1.278 -6.108 1.00 0.00 O +ATOM 2262 CB LEU A 139 13.005 0.709 -8.473 1.00 0.00 C +ATOM 2263 CG LEU A 139 13.298 2.216 -8.567 1.00 0.00 C +ATOM 2264 CD1 LEU A 139 13.818 2.750 -7.239 1.00 0.00 C +ATOM 2265 CD2 LEU A 139 14.282 2.529 -9.694 1.00 0.00 C +ATOM 2266 H LEU A 139 14.984 -0.234 -9.832 1.00 0.00 H +ATOM 2267 HA LEU A 139 14.605 0.398 -7.088 1.00 0.00 H +ATOM 2268 1HB LEU A 139 12.767 0.356 -9.475 1.00 0.00 H +ATOM 2269 2HB LEU A 139 12.122 0.582 -7.847 1.00 0.00 H +ATOM 2270 HG LEU A 139 12.371 2.756 -8.761 1.00 0.00 H +ATOM 2271 1HD1 LEU A 139 14.018 3.818 -7.329 1.00 0.00 H +ATOM 2272 2HD1 LEU A 139 13.070 2.586 -6.463 1.00 0.00 H +ATOM 2273 3HD1 LEU A 139 14.738 2.230 -6.973 1.00 0.00 H +ATOM 2274 1HD2 LEU A 139 14.464 3.604 -9.730 1.00 0.00 H +ATOM 2275 2HD2 LEU A 139 15.222 2.008 -9.512 1.00 0.00 H +ATOM 2276 3HD2 LEU A 139 13.863 2.200 -10.645 1.00 0.00 H +ATOM 2277 N ILE A 140 13.570 -2.529 -7.924 1.00 50.00 N +ATOM 2278 CA ILE A 140 13.024 -3.706 -7.258 1.00 50.00 C +ATOM 2279 C ILE A 140 13.980 -4.206 -6.206 1.00 50.00 C +ATOM 2280 O ILE A 140 13.523 -4.655 -5.163 1.00 50.00 O +ATOM 2281 CB ILE A 140 12.508 -4.849 -8.159 1.00 50.00 C +ATOM 2282 CG1 ILE A 140 12.133 -6.129 -7.323 1.00 50.00 C +ATOM 2283 CG2 ILE A 140 13.497 -5.201 -9.227 1.00 50.00 C +ATOM 2284 CD1 ILE A 140 11.057 -6.010 -6.219 1.00 50.00 C +ATOM 2285 H ILE A 140 13.906 -2.612 -8.873 1.00 50.00 H +ATOM 2286 HA ILE A 140 12.165 -3.399 -6.662 1.00 50.00 H +ATOM 2287 HB ILE A 140 11.579 -4.542 -8.639 1.00 50.00 H +ATOM 2288 1HG1 ILE A 140 11.778 -6.910 -7.994 1.00 50.00 H +ATOM 2289 2HG1 ILE A 140 13.023 -6.510 -6.821 1.00 50.00 H +ATOM 2290 1HG2 ILE A 140 13.098 -6.009 -9.840 1.00 50.00 H +ATOM 2291 2HG2 ILE A 140 13.682 -4.329 -9.853 1.00 50.00 H +ATOM 2292 3HG2 ILE A 140 14.431 -5.522 -8.766 1.00 50.00 H +ATOM 2293 1HD1 ILE A 140 10.918 -6.980 -5.740 1.00 50.00 H +ATOM 2294 2HD1 ILE A 140 11.378 -5.280 -5.475 1.00 50.00 H +ATOM 2295 3HD1 ILE A 140 10.116 -5.687 -6.662 1.00 50.00 H +ATOM 2296 N ILE A 141 15.293 -4.066 -6.443 1.00 50.00 N +ATOM 2297 CA ILE A 141 16.231 -4.301 -5.364 1.00 50.00 C +ATOM 2298 C ILE A 141 15.859 -3.453 -4.140 1.00 50.00 C +ATOM 2299 O ILE A 141 15.760 -3.974 -3.011 1.00 50.00 O +ATOM 2300 CB ILE A 141 17.662 -4.035 -5.787 1.00 50.00 C +ATOM 2301 CG1 ILE A 141 18.116 -5.203 -6.656 1.00 50.00 C +ATOM 2302 CG2 ILE A 141 18.551 -3.769 -4.557 1.00 50.00 C +ATOM 2303 CD1 ILE A 141 18.026 -6.534 -5.937 1.00 50.00 C +ATOM 2304 H ILE A 141 15.645 -3.802 -7.352 1.00 50.00 H +ATOM 2305 HA ILE A 141 16.159 -5.346 -5.065 1.00 50.00 H +ATOM 2306 HB ILE A 141 17.692 -3.163 -6.439 1.00 50.00 H +ATOM 2307 1HG1 ILE A 141 17.504 -5.246 -7.556 1.00 50.00 H +ATOM 2308 2HG1 ILE A 141 19.148 -5.043 -6.971 1.00 50.00 H +ATOM 2309 1HG2 ILE A 141 19.574 -3.581 -4.882 1.00 50.00 H +ATOM 2310 2HG2 ILE A 141 18.176 -2.900 -4.018 1.00 50.00 H +ATOM 2311 3HG2 ILE A 141 18.533 -4.639 -3.900 1.00 50.00 H +ATOM 2312 1HD1 ILE A 141 18.362 -7.330 -6.602 1.00 50.00 H +ATOM 2313 2HD1 ILE A 141 18.659 -6.512 -5.049 1.00 50.00 H +ATOM 2314 3HD1 ILE A 141 16.994 -6.719 -5.643 1.00 50.00 H +ATOM 2315 N PHE A 142 15.607 -2.162 -4.359 1.00 50.00 N +ATOM 2316 CA PHE A 142 15.386 -1.278 -3.241 1.00 50.00 C +ATOM 2317 C PHE A 142 14.034 -1.564 -2.596 1.00 50.00 C +ATOM 2318 O PHE A 142 13.867 -1.430 -1.356 1.00 50.00 O +ATOM 2319 CB PHE A 142 15.615 0.176 -3.648 1.00 50.00 C +ATOM 2320 CG PHE A 142 17.033 0.460 -4.064 1.00 50.00 C +ATOM 2321 CD1 PHE A 142 18.081 0.379 -3.141 1.00 50.00 C +ATOM 2322 CD2 PHE A 142 17.353 0.774 -5.389 1.00 50.00 C +ATOM 2323 CE1 PHE A 142 19.376 0.632 -3.523 1.00 50.00 C +ATOM 2324 CE2 PHE A 142 18.649 1.028 -5.756 1.00 50.00 C +ATOM 2325 CZ PHE A 142 19.651 0.943 -4.827 1.00 50.00 C +ATOM 2326 H PHE A 142 15.568 -1.789 -5.297 1.00 50.00 H +ATOM 2327 HA PHE A 142 16.095 -1.533 -2.453 1.00 50.00 H +ATOM 2328 1HB PHE A 142 14.955 0.430 -4.476 1.00 50.00 H +ATOM 2329 2HB PHE A 142 15.362 0.831 -2.815 1.00 50.00 H +ATOM 2330 HD1 PHE A 142 17.861 0.111 -2.107 1.00 50.00 H +ATOM 2331 HD2 PHE A 142 16.554 0.842 -6.128 1.00 50.00 H +ATOM 2332 HE1 PHE A 142 20.179 0.584 -2.788 1.00 50.00 H +ATOM 2333 HE2 PHE A 142 18.883 1.298 -6.786 1.00 50.00 H +ATOM 2334 HZ PHE A 142 20.678 1.128 -5.139 1.00 50.00 H +ATOM 2335 N ALA A 143 13.066 -2.009 -3.410 1.00 50.00 N +ATOM 2336 CA ALA A 143 11.784 -2.410 -2.859 1.00 50.00 C +ATOM 2337 C ALA A 143 11.991 -3.633 -1.984 1.00 50.00 C +ATOM 2338 O ALA A 143 11.497 -3.730 -0.844 1.00 50.00 O +ATOM 2339 CB ALA A 143 10.753 -2.709 -3.944 1.00 50.00 C +ATOM 2340 H ALA A 143 13.214 -2.071 -4.407 1.00 50.00 H +ATOM 2341 HA ALA A 143 11.404 -1.588 -2.252 1.00 50.00 H +ATOM 2342 1HB ALA A 143 9.812 -3.004 -3.480 1.00 50.00 H +ATOM 2343 2HB ALA A 143 10.594 -1.817 -4.551 1.00 50.00 H +ATOM 2344 3HB ALA A 143 11.115 -3.518 -4.576 1.00 50.00 H +ATOM 2345 N LEU A 144 12.753 -4.575 -2.525 1.00 50.00 N +ATOM 2346 CA LEU A 144 13.036 -5.788 -1.833 1.00 50.00 C +ATOM 2347 C LEU A 144 13.787 -5.549 -0.461 1.00 50.00 C +ATOM 2348 O LEU A 144 13.441 -6.139 0.568 1.00 50.00 O +ATOM 2349 CB LEU A 144 13.729 -6.719 -2.790 1.00 50.00 C +ATOM 2350 CG LEU A 144 13.995 -8.114 -2.266 1.00 50.00 C +ATOM 2351 CD1 LEU A 144 12.729 -8.868 -1.879 1.00 50.00 C +ATOM 2352 CD2 LEU A 144 14.805 -8.864 -3.332 1.00 50.00 C +ATOM 2353 H LEU A 144 13.142 -4.432 -3.446 1.00 50.00 H +ATOM 2354 HA LEU A 144 12.094 -6.228 -1.507 1.00 50.00 H +ATOM 2355 1HB LEU A 144 13.119 -6.811 -3.687 1.00 50.00 H +ATOM 2356 2HB LEU A 144 14.687 -6.280 -3.070 1.00 50.00 H +ATOM 2357 HG LEU A 144 14.559 -8.052 -1.335 1.00 50.00 H +ATOM 2358 1HD1 LEU A 144 12.994 -9.860 -1.512 1.00 50.00 H +ATOM 2359 2HD1 LEU A 144 12.204 -8.320 -1.096 1.00 50.00 H +ATOM 2360 3HD1 LEU A 144 12.083 -8.965 -2.751 1.00 50.00 H +ATOM 2361 1HD2 LEU A 144 15.015 -9.876 -2.984 1.00 50.00 H +ATOM 2362 2HD2 LEU A 144 14.232 -8.910 -4.259 1.00 50.00 H +ATOM 2363 3HD2 LEU A 144 15.744 -8.340 -3.511 1.00 50.00 H +ATOM 2364 N ILE A 145 14.778 -4.654 -0.455 1.00 50.00 N +ATOM 2365 CA ILE A 145 15.456 -4.271 0.778 1.00 50.00 C +ATOM 2366 C ILE A 145 14.456 -3.656 1.794 1.00 50.00 C +ATOM 2367 O ILE A 145 14.517 -3.953 2.986 1.00 50.00 O +ATOM 2368 CB ILE A 145 16.641 -3.309 0.469 1.00 50.00 C +ATOM 2369 CG1 ILE A 145 17.802 -4.055 -0.198 1.00 50.00 C +ATOM 2370 CG2 ILE A 145 17.200 -2.668 1.716 1.00 50.00 C +ATOM 2371 CD1 ILE A 145 18.862 -3.150 -0.760 1.00 50.00 C +ATOM 2372 H ILE A 145 15.065 -4.231 -1.326 1.00 50.00 H +ATOM 2373 HA ILE A 145 15.850 -5.170 1.249 1.00 50.00 H +ATOM 2374 HB ILE A 145 16.301 -2.514 -0.195 1.00 50.00 H +ATOM 2375 1HG1 ILE A 145 18.270 -4.721 0.526 1.00 50.00 H +ATOM 2376 2HG1 ILE A 145 17.419 -4.674 -1.009 1.00 50.00 H +ATOM 2377 1HG2 ILE A 145 18.024 -2.007 1.447 1.00 50.00 H +ATOM 2378 2HG2 ILE A 145 16.419 -2.091 2.210 1.00 50.00 H +ATOM 2379 3HG2 ILE A 145 17.562 -3.443 2.392 1.00 50.00 H +ATOM 2380 1HD1 ILE A 145 19.649 -3.751 -1.216 1.00 50.00 H +ATOM 2381 2HD1 ILE A 145 18.421 -2.497 -1.514 1.00 50.00 H +ATOM 2382 3HD1 ILE A 145 19.286 -2.545 0.041 1.00 50.00 H +ATOM 2383 N TRP A 146 13.548 -2.798 1.309 1.00 0.00 N +ATOM 2384 CA TRP A 146 12.535 -2.162 2.152 1.00 0.00 C +ATOM 2385 C TRP A 146 11.662 -3.228 2.845 1.00 0.00 C +ATOM 2386 O TRP A 146 11.397 -3.172 4.046 1.00 0.00 O +ATOM 2387 CB TRP A 146 11.660 -1.201 1.320 1.00 0.00 C +ATOM 2388 CG TRP A 146 11.018 -0.145 2.175 1.00 0.00 C +ATOM 2389 CD1 TRP A 146 9.671 0.050 2.425 1.00 0.00 C +ATOM 2390 CD2 TRP A 146 11.716 0.842 2.926 1.00 0.00 C +ATOM 2391 NE1 TRP A 146 9.516 1.114 3.299 1.00 0.00 N +ATOM 2392 CE2 TRP A 146 10.758 1.605 3.618 1.00 0.00 C +ATOM 2393 CE3 TRP A 146 13.078 1.158 3.074 1.00 0.00 C +ATOM 2394 CZ2 TRP A 146 11.116 2.662 4.445 1.00 0.00 C +ATOM 2395 CZ3 TRP A 146 13.435 2.215 3.906 1.00 0.00 C +ATOM 2396 CH2 TRP A 146 12.453 2.957 4.572 1.00 0.00 C +ATOM 2397 H TRP A 146 13.570 -2.587 0.322 1.00 0.00 H +ATOM 2398 HA TRP A 146 13.041 -1.587 2.927 1.00 0.00 H +ATOM 2399 1HB TRP A 146 12.272 -0.720 0.557 1.00 0.00 H +ATOM 2400 2HB TRP A 146 10.883 -1.768 0.808 1.00 0.00 H +ATOM 2401 HD1 TRP A 146 8.866 -0.544 1.997 1.00 0.00 H +ATOM 2402 HE1 TRP A 146 8.636 1.469 3.643 1.00 0.00 H +ATOM 2403 HE3 TRP A 146 13.839 0.583 2.548 1.00 0.00 H +ATOM 2404 HZ2 TRP A 146 10.375 3.251 4.987 1.00 0.00 H +ATOM 2405 HZ3 TRP A 146 14.492 2.453 4.028 1.00 0.00 H +ATOM 2406 HH2 TRP A 146 12.760 3.789 5.206 1.00 0.00 H +ATOM 2407 N ILE A 147 11.278 -4.238 2.072 1.00 50.00 N +ATOM 2408 CA ILE A 147 10.459 -5.341 2.569 1.00 50.00 C +ATOM 2409 C ILE A 147 11.230 -6.150 3.610 1.00 50.00 C +ATOM 2410 O ILE A 147 10.708 -6.496 4.637 1.00 50.00 O +ATOM 2411 CB ILE A 147 9.994 -6.230 1.389 1.00 50.00 C +ATOM 2412 CG1 ILE A 147 9.009 -5.463 0.486 1.00 50.00 C +ATOM 2413 CG2 ILE A 147 9.330 -7.493 1.883 1.00 50.00 C +ATOM 2414 CD1 ILE A 147 8.755 -6.170 -0.828 1.00 50.00 C +ATOM 2415 H ILE A 147 11.567 -4.237 1.104 1.00 50.00 H +ATOM 2416 HA ILE A 147 9.582 -4.925 3.063 1.00 50.00 H +ATOM 2417 HB ILE A 147 10.855 -6.506 0.781 1.00 50.00 H +ATOM 2418 1HG1 ILE A 147 8.061 -5.335 1.008 1.00 50.00 H +ATOM 2419 2HG1 ILE A 147 9.404 -4.468 0.280 1.00 50.00 H +ATOM 2420 1HG2 ILE A 147 9.014 -8.095 1.031 1.00 50.00 H +ATOM 2421 2HG2 ILE A 147 10.035 -8.062 2.488 1.00 50.00 H +ATOM 2422 3HG2 ILE A 147 8.460 -7.234 2.487 1.00 50.00 H +ATOM 2423 1HD1 ILE A 147 8.054 -5.586 -1.426 1.00 50.00 H +ATOM 2424 2HD1 ILE A 147 9.694 -6.277 -1.371 1.00 50.00 H +ATOM 2425 3HD1 ILE A 147 8.333 -7.155 -0.635 1.00 50.00 H +ATOM 2426 N VAL A 148 12.502 -6.441 3.329 1.00 50.00 N +ATOM 2427 CA VAL A 148 13.359 -7.127 4.287 1.00 50.00 C +ATOM 2428 C VAL A 148 13.481 -6.327 5.600 1.00 50.00 C +ATOM 2429 O VAL A 148 13.473 -6.904 6.692 1.00 50.00 O +ATOM 2430 CB VAL A 148 14.749 -7.401 3.696 1.00 50.00 C +ATOM 2431 CG1 VAL A 148 15.671 -8.006 4.744 1.00 50.00 C +ATOM 2432 CG2 VAL A 148 14.635 -8.366 2.510 1.00 50.00 C +ATOM 2433 H VAL A 148 12.880 -6.179 2.430 1.00 50.00 H +ATOM 2434 HA VAL A 148 12.900 -8.084 4.538 1.00 50.00 H +ATOM 2435 HB VAL A 148 15.182 -6.459 3.357 1.00 50.00 H +ATOM 2436 1HG1 VAL A 148 16.651 -8.192 4.303 1.00 50.00 H +ATOM 2437 2HG1 VAL A 148 15.775 -7.314 5.580 1.00 50.00 H +ATOM 2438 3HG1 VAL A 148 15.250 -8.946 5.100 1.00 50.00 H +ATOM 2439 1HG2 VAL A 148 15.626 -8.554 2.097 1.00 50.00 H +ATOM 2440 2HG2 VAL A 148 14.198 -9.306 2.847 1.00 50.00 H +ATOM 2441 3HG2 VAL A 148 14.000 -7.925 1.742 1.00 50.00 H +ATOM 2442 N ALA A 149 13.624 -5.001 5.487 1.00 50.00 N +ATOM 2443 CA ALA A 149 13.775 -4.133 6.653 1.00 50.00 C +ATOM 2444 C ALA A 149 12.559 -4.314 7.577 1.00 50.00 C +ATOM 2445 O ALA A 149 12.705 -4.515 8.802 1.00 50.00 O +ATOM 2446 CB ALA A 149 13.865 -2.682 6.230 1.00 50.00 C +ATOM 2447 H ALA A 149 13.627 -4.590 4.564 1.00 50.00 H +ATOM 2448 HA ALA A 149 14.699 -4.408 7.162 1.00 50.00 H +ATOM 2449 1HB ALA A 149 13.977 -2.052 7.112 1.00 50.00 H +ATOM 2450 2HB ALA A 149 14.726 -2.546 5.576 1.00 50.00 H +ATOM 2451 3HB ALA A 149 12.958 -2.402 5.697 1.00 50.00 H +ATOM 2452 N GLY A 150 11.376 -4.237 6.960 1.00 50.00 N +ATOM 2453 CA GLY A 150 10.098 -4.395 7.645 1.00 50.00 C +ATOM 2454 C GLY A 150 9.979 -5.766 8.285 1.00 50.00 C +ATOM 2455 O GLY A 150 9.632 -5.864 9.467 1.00 50.00 O +ATOM 2456 H GLY A 150 11.383 -4.059 5.966 1.00 50.00 H +ATOM 2457 1HA GLY A 150 9.997 -3.624 8.409 1.00 50.00 H +ATOM 2458 2HA GLY A 150 9.285 -4.251 6.935 1.00 50.00 H +ATOM 2459 N TRP A 151 10.343 -6.814 7.539 1.00 50.00 N +ATOM 2460 CA TRP A 151 10.147 -8.166 8.019 1.00 50.00 C +ATOM 2461 C TRP A 151 10.989 -8.449 9.284 1.00 50.00 C +ATOM 2462 O TRP A 151 10.527 -9.014 10.254 1.00 50.00 O +ATOM 2463 CB TRP A 151 10.466 -9.212 6.930 1.00 50.00 C +ATOM 2464 CG TRP A 151 10.058 -10.557 7.388 1.00 50.00 C +ATOM 2465 CD1 TRP A 151 10.862 -11.596 7.786 1.00 50.00 C +ATOM 2466 CD2 TRP A 151 8.711 -10.986 7.605 1.00 50.00 C +ATOM 2467 NE1 TRP A 151 10.098 -12.663 8.187 1.00 50.00 N +ATOM 2468 CE2 TRP A 151 8.771 -12.314 8.102 1.00 50.00 C +ATOM 2469 CE3 TRP A 151 7.451 -10.381 7.413 1.00 50.00 C +ATOM 2470 CZ2 TRP A 151 7.613 -13.046 8.416 1.00 50.00 C +ATOM 2471 CZ3 TRP A 151 6.312 -11.101 7.726 1.00 50.00 C +ATOM 2472 CH2 TRP A 151 6.399 -12.427 8.222 1.00 50.00 C +ATOM 2473 H TRP A 151 10.760 -6.670 6.630 1.00 50.00 H +ATOM 2474 HA TRP A 151 9.102 -8.284 8.304 1.00 50.00 H +ATOM 2475 1HB TRP A 151 9.941 -8.952 6.011 1.00 50.00 H +ATOM 2476 2HB TRP A 151 11.534 -9.197 6.712 1.00 50.00 H +ATOM 2477 HD1 TRP A 151 11.950 -11.577 7.784 1.00 50.00 H +ATOM 2478 HE1 TRP A 151 10.452 -13.558 8.494 1.00 50.00 H +ATOM 2479 HE3 TRP A 151 7.378 -9.365 7.028 1.00 50.00 H +ATOM 2480 HZ2 TRP A 151 7.658 -14.065 8.801 1.00 50.00 H +ATOM 2481 HZ3 TRP A 151 5.343 -10.623 7.581 1.00 50.00 H +ATOM 2482 HH2 TRP A 151 5.480 -12.966 8.453 1.00 50.00 H +ATOM 2483 N PHE A 152 12.255 -8.055 9.249 1.00 50.00 N +ATOM 2484 CA PHE A 152 13.160 -8.288 10.326 1.00 50.00 C +ATOM 2485 C PHE A 152 13.195 -7.097 11.273 1.00 50.00 C +ATOM 2486 O PHE A 152 13.997 -7.057 12.134 1.00 50.00 O +ATOM 2487 CB PHE A 152 14.541 -8.605 9.751 1.00 50.00 C +ATOM 2488 CG PHE A 152 14.605 -9.910 9.054 1.00 50.00 C +ATOM 2489 CD1 PHE A 152 14.714 -11.067 9.772 1.00 50.00 C +ATOM 2490 CD2 PHE A 152 14.521 -9.972 7.682 1.00 50.00 C +ATOM 2491 CE1 PHE A 152 14.782 -12.295 9.131 1.00 50.00 C +ATOM 2492 CE2 PHE A 152 14.561 -11.185 7.023 1.00 50.00 C +ATOM 2493 CZ PHE A 152 14.707 -12.356 7.747 1.00 50.00 C +ATOM 2494 H PHE A 152 12.584 -7.572 8.425 1.00 50.00 H +ATOM 2495 HA PHE A 152 12.801 -9.143 10.901 1.00 50.00 H +ATOM 2496 1HB PHE A 152 14.829 -7.826 9.047 1.00 50.00 H +ATOM 2497 2HB PHE A 152 15.277 -8.609 10.554 1.00 50.00 H +ATOM 2498 HD1 PHE A 152 14.747 -11.017 10.861 1.00 50.00 H +ATOM 2499 HD2 PHE A 152 14.407 -9.047 7.115 1.00 50.00 H +ATOM 2500 HE1 PHE A 152 14.894 -13.208 9.715 1.00 50.00 H +ATOM 2501 HE2 PHE A 152 14.479 -11.223 5.937 1.00 50.00 H +ATOM 2502 HZ PHE A 152 14.764 -13.318 7.239 1.00 50.00 H +ATOM 2503 N ASP A 153 12.272 -6.150 11.120 1.00 50.00 N +ATOM 2504 CA ASP A 153 12.144 -5.003 12.011 1.00 50.00 C +ATOM 2505 C ASP A 153 13.445 -4.276 12.193 1.00 50.00 C +ATOM 2506 O ASP A 153 13.898 -4.055 13.303 1.00 50.00 O +ATOM 2507 CB ASP A 153 11.550 -5.333 13.411 1.00 50.00 C +ATOM 2508 CG ASP A 153 11.031 -4.030 14.145 1.00 50.00 C +ATOM 2509 OD1 ASP A 153 10.690 -3.046 13.421 1.00 50.00 O +ATOM 2510 OD2 ASP A 153 11.007 -3.962 15.406 1.00 50.00 O +ATOM 2511 H ASP A 153 11.634 -6.243 10.343 1.00 50.00 H +ATOM 2512 HA ASP A 153 11.471 -4.280 11.549 1.00 50.00 H +ATOM 2513 1HB ASP A 153 10.725 -6.038 13.300 1.00 50.00 H +ATOM 2514 2HB ASP A 153 12.311 -5.815 14.025 1.00 50.00 H +ATOM 2515 N LEU A 154 14.023 -3.844 11.074 1.00 50.00 N +ATOM 2516 CA LEU A 154 15.277 -3.125 11.116 1.00 50.00 C +ATOM 2517 C LEU A 154 15.056 -1.635 11.464 1.00 50.00 C +ATOM 2518 O LEU A 154 15.983 -0.879 11.541 1.00 50.00 O +ATOM 2519 CB LEU A 154 16.030 -3.370 9.801 1.00 50.00 C +ATOM 2520 CG LEU A 154 16.365 -4.855 9.545 1.00 50.00 C +ATOM 2521 CD1 LEU A 154 17.150 -5.025 8.231 1.00 50.00 C +ATOM 2522 CD2 LEU A 154 17.125 -5.461 10.697 1.00 50.00 C +ATOM 2523 H LEU A 154 13.585 -4.017 10.181 1.00 50.00 H +ATOM 2524 HA LEU A 154 15.867 -3.507 11.949 1.00 50.00 H +ATOM 2525 1HB LEU A 154 15.420 -3.002 8.978 1.00 50.00 H +ATOM 2526 2HB LEU A 154 16.959 -2.800 9.821 1.00 50.00 H +ATOM 2527 HG LEU A 154 15.441 -5.418 9.409 1.00 50.00 H +ATOM 2528 1HD1 LEU A 154 17.373 -6.080 8.074 1.00 50.00 H +ATOM 2529 2HD1 LEU A 154 16.551 -4.654 7.399 1.00 50.00 H +ATOM 2530 3HD1 LEU A 154 18.081 -4.462 8.288 1.00 50.00 H +ATOM 2531 1HD2 LEU A 154 17.342 -6.507 10.480 1.00 50.00 H +ATOM 2532 2HD2 LEU A 154 18.060 -4.919 10.841 1.00 50.00 H +ATOM 2533 3HD2 LEU A 154 16.524 -5.396 11.604 1.00 50.00 H +ATOM 2534 N PHE A 155 13.814 -1.266 11.766 1.00 0.00 N +ATOM 2535 CA PHE A 155 13.387 0.109 12.027 1.00 0.00 C +ATOM 2536 C PHE A 155 13.159 0.419 13.490 1.00 0.00 C +ATOM 2537 O PHE A 155 13.308 -0.463 14.339 1.00 0.00 O +ATOM 2538 CB PHE A 155 12.072 0.342 11.316 1.00 0.00 C +ATOM 2539 CG PHE A 155 12.207 0.424 9.822 1.00 0.00 C +ATOM 2540 CD1 PHE A 155 13.134 1.291 9.237 1.00 0.00 C +ATOM 2541 CD2 PHE A 155 11.373 -0.328 8.998 1.00 0.00 C +ATOM 2542 CE1 PHE A 155 13.233 1.397 7.864 1.00 0.00 C +ATOM 2543 CE2 PHE A 155 11.473 -0.223 7.617 1.00 0.00 C +ATOM 2544 CZ PHE A 155 12.402 0.645 7.051 1.00 0.00 C +ATOM 2545 H PHE A 155 13.133 -2.010 11.813 1.00 0.00 H +ATOM 2546 HA PHE A 155 14.144 0.788 11.631 1.00 0.00 H +ATOM 2547 1HB PHE A 155 11.382 -0.466 11.555 1.00 0.00 H +ATOM 2548 2HB PHE A 155 11.626 1.270 11.672 1.00 0.00 H +ATOM 2549 HD1 PHE A 155 13.784 1.887 9.878 1.00 0.00 H +ATOM 2550 HD2 PHE A 155 10.645 -1.008 9.441 1.00 0.00 H +ATOM 2551 HE1 PHE A 155 13.965 2.072 7.422 1.00 0.00 H +ATOM 2552 HE2 PHE A 155 10.824 -0.819 6.976 1.00 0.00 H +ATOM 2553 HZ PHE A 155 12.473 0.733 5.968 1.00 0.00 H +ATOM 2554 N GLY A 156 12.797 1.687 13.756 1.00 0.00 N +ATOM 2555 CA GLY A 156 12.450 2.185 15.075 1.00 0.00 C +ATOM 2556 C GLY A 156 11.396 1.372 15.820 1.00 0.00 C +ATOM 2557 O GLY A 156 11.705 0.631 16.725 1.00 0.00 O +ATOM 2558 H GLY A 156 12.772 2.319 12.969 1.00 0.00 H +ATOM 2559 1HA GLY A 156 13.343 2.216 15.699 1.00 0.00 H +ATOM 2560 2HA GLY A 156 12.080 3.206 14.992 1.00 0.00 H +ATOM 2561 N MET A 157 10.136 1.525 15.442 1.00 0.00 N +ATOM 2562 CA MET A 157 9.049 0.928 16.186 1.00 0.00 C +ATOM 2563 C MET A 157 8.685 -0.422 15.603 1.00 0.00 C +ATOM 2564 O MET A 157 9.268 -0.822 14.633 1.00 0.00 O +ATOM 2565 CB MET A 157 7.849 1.879 16.250 1.00 0.00 C +ATOM 2566 CG MET A 157 6.919 1.987 15.032 1.00 0.00 C +ATOM 2567 SD MET A 157 5.221 2.488 15.537 1.00 0.00 S +ATOM 2568 CE MET A 157 5.555 4.014 16.445 1.00 0.00 C +ATOM 2569 H MET A 157 9.927 2.069 14.617 1.00 0.00 H +ATOM 2570 HA MET A 157 9.391 0.734 17.202 1.00 0.00 H +ATOM 2571 1HB MET A 157 7.205 1.596 17.081 1.00 0.00 H +ATOM 2572 2HB MET A 157 8.199 2.895 16.438 1.00 0.00 H +ATOM 2573 1HG MET A 157 7.318 2.722 14.334 1.00 0.00 H +ATOM 2574 2HG MET A 157 6.873 1.024 14.523 1.00 0.00 H +ATOM 2575 1HE MET A 157 4.617 4.432 16.812 1.00 0.00 H +ATOM 2576 2HE MET A 157 6.212 3.799 17.289 1.00 0.00 H +ATOM 2577 3HE MET A 157 6.039 4.733 15.783 1.00 0.00 H +ATOM 2578 N SER A 158 7.712 -1.114 16.208 1.00 0.00 N +ATOM 2579 CA SER A 158 7.184 -2.358 15.668 1.00 0.00 C +ATOM 2580 C SER A 158 6.538 -2.198 14.284 1.00 0.00 C +ATOM 2581 O SER A 158 5.947 -1.168 13.940 1.00 0.00 O +ATOM 2582 CB SER A 158 6.162 -2.943 16.610 1.00 0.00 C +ATOM 2583 OG SER A 158 6.737 -3.081 17.863 1.00 0.00 O +ATOM 2584 H SER A 158 7.334 -0.753 17.072 1.00 0.00 H +ATOM 2585 HA SER A 158 8.007 -3.066 15.560 1.00 0.00 H +ATOM 2586 1HB SER A 158 5.292 -2.289 16.654 1.00 0.00 H +ATOM 2587 2HB SER A 158 5.827 -3.907 16.230 1.00 0.00 H +ATOM 2588 HG SER A 158 7.638 -2.760 17.777 1.00 0.00 H +ATOM 2589 N MET A 159 6.668 -3.246 13.479 1.00 50.00 N +ATOM 2590 CA MET A 159 6.131 -3.225 12.144 1.00 50.00 C +ATOM 2591 C MET A 159 4.773 -3.898 12.197 1.00 50.00 C +ATOM 2592 O MET A 159 4.547 -4.846 12.958 1.00 50.00 O +ATOM 2593 CB MET A 159 7.080 -3.950 11.171 1.00 50.00 C +ATOM 2594 CG MET A 159 8.393 -3.212 10.927 1.00 50.00 C +ATOM 2595 SD MET A 159 8.215 -1.751 9.906 1.00 50.00 S +ATOM 2596 CE MET A 159 8.288 -0.504 11.209 1.00 50.00 C +ATOM 2597 H MET A 159 7.150 -4.073 13.803 1.00 50.00 H +ATOM 2598 HA MET A 159 6.033 -2.187 11.827 1.00 50.00 H +ATOM 2599 1HB MET A 159 7.314 -4.940 11.561 1.00 50.00 H +ATOM 2600 2HB MET A 159 6.582 -4.086 10.210 1.00 50.00 H +ATOM 2601 1HG MET A 159 8.821 -2.905 11.881 1.00 50.00 H +ATOM 2602 2HG MET A 159 9.100 -3.880 10.436 1.00 50.00 H +ATOM 2603 1HE MET A 159 8.193 0.489 10.768 1.00 50.00 H +ATOM 2604 2HE MET A 159 7.473 -0.668 11.916 1.00 50.00 H +ATOM 2605 3HE MET A 159 9.242 -0.579 11.732 1.00 50.00 H +ATOM 2606 N ALA A 160 3.851 -3.399 11.379 1.00 0.00 N +ATOM 2607 CA ALA A 160 2.554 -4.045 11.225 1.00 0.00 C +ATOM 2608 C ALA A 160 2.806 -5.172 10.227 1.00 0.00 C +ATOM 2609 O ALA A 160 2.717 -4.965 9.029 1.00 0.00 O +ATOM 2610 CB ALA A 160 1.534 -3.010 10.713 1.00 0.00 C +ATOM 2611 H ALA A 160 4.048 -2.559 10.854 1.00 0.00 H +ATOM 2612 HA ALA A 160 2.241 -4.413 12.202 1.00 0.00 H +ATOM 2613 1HB ALA A 160 0.561 -3.486 10.595 1.00 0.00 H +ATOM 2614 2HB ALA A 160 1.454 -2.193 11.430 1.00 0.00 H +ATOM 2615 3HB ALA A 160 1.865 -2.618 9.752 1.00 0.00 H +ATOM 2616 N ASN A 161 3.168 -6.355 10.739 1.00 50.00 N +ATOM 2617 CA ASN A 161 3.543 -7.489 9.892 1.00 50.00 C +ATOM 2618 C ASN A 161 2.358 -8.039 9.116 1.00 50.00 C +ATOM 2619 O ASN A 161 2.504 -8.438 7.962 1.00 50.00 O +ATOM 2620 CB ASN A 161 4.180 -8.630 10.669 1.00 50.00 C +ATOM 2621 CG ASN A 161 5.496 -8.232 11.317 1.00 50.00 C +ATOM 2622 OD1 ASN A 161 5.674 -8.424 12.513 1.00 50.00 O +ATOM 2623 ND2 ASN A 161 6.416 -7.682 10.540 1.00 50.00 N +ATOM 2624 H ASN A 161 3.182 -6.465 11.743 1.00 50.00 H +ATOM 2625 HA ASN A 161 4.275 -7.146 9.159 1.00 50.00 H +ATOM 2626 1HB ASN A 161 3.494 -8.969 11.446 1.00 50.00 H +ATOM 2627 2HB ASN A 161 4.358 -9.471 9.999 1.00 50.00 H +ATOM 2628 1HD2 ASN A 161 7.296 -7.405 10.926 1.00 50.00 H +ATOM 2629 2HD2 ASN A 161 6.231 -7.543 9.568 1.00 50.00 H +ATOM 2630 N GLY A 162 1.178 -7.980 9.735 1.00 50.00 N +ATOM 2631 CA GLY A 162 -0.035 -8.445 9.097 1.00 50.00 C +ATOM 2632 C GLY A 162 -0.434 -7.526 7.981 1.00 50.00 C +ATOM 2633 O GLY A 162 -0.757 -7.987 6.917 1.00 50.00 O +ATOM 2634 H GLY A 162 1.128 -7.602 10.670 1.00 50.00 H +ATOM 2635 1HA GLY A 162 0.120 -9.453 8.711 1.00 50.00 H +ATOM 2636 2HA GLY A 162 -0.835 -8.503 9.835 1.00 50.00 H +ATOM 2637 N ALA A 163 -0.426 -6.214 8.234 1.00 0.00 N +ATOM 2638 CA ALA A 163 -0.695 -5.246 7.183 1.00 0.00 C +ATOM 2639 C ALA A 163 0.283 -5.440 6.019 1.00 0.00 C +ATOM 2640 O ALA A 163 -0.100 -5.242 4.868 1.00 0.00 O +ATOM 2641 CB ALA A 163 -0.618 -3.805 7.684 1.00 0.00 C +ATOM 2642 H ALA A 163 -0.231 -5.884 9.168 1.00 0.00 H +ATOM 2643 HA ALA A 163 -1.706 -5.419 6.814 1.00 0.00 H +ATOM 2644 1HB ALA A 163 -0.827 -3.122 6.861 1.00 0.00 H +ATOM 2645 2HB ALA A 163 -1.353 -3.655 8.475 1.00 0.00 H +ATOM 2646 3HB ALA A 163 0.379 -3.609 8.074 1.00 0.00 H +ATOM 2647 N HIS A 164 1.559 -5.737 6.316 1.00 50.00 N +ATOM 2648 CA HIS A 164 2.560 -5.848 5.242 1.00 50.00 C +ATOM 2649 C HIS A 164 2.292 -7.043 4.343 1.00 50.00 C +ATOM 2650 O HIS A 164 2.331 -6.914 3.109 1.00 50.00 O +ATOM 2651 CB HIS A 164 3.982 -5.892 5.775 1.00 50.00 C +ATOM 2652 CG HIS A 164 4.491 -4.560 6.218 1.00 50.00 C +ATOM 2653 ND1 HIS A 164 5.507 -4.419 7.136 1.00 50.00 N +ATOM 2654 CD2 HIS A 164 4.106 -3.306 5.894 1.00 50.00 C +ATOM 2655 CE1 HIS A 164 5.763 -3.139 7.318 1.00 50.00 C +ATOM 2656 NE2 HIS A 164 4.913 -2.437 6.593 1.00 50.00 N +ATOM 2657 H HIS A 164 1.845 -5.887 7.273 1.00 50.00 H +ATOM 2658 HA HIS A 164 2.489 -4.980 4.588 1.00 50.00 H +ATOM 2659 1HB HIS A 164 4.033 -6.578 6.621 1.00 50.00 H +ATOM 2660 2HB HIS A 164 4.648 -6.275 5.003 1.00 50.00 H +ATOM 2661 HD2 HIS A 164 3.304 -3.034 5.208 1.00 50.00 H +ATOM 2662 HE1 HIS A 164 6.544 -2.730 7.958 1.00 50.00 H +ATOM 2663 HE2 HIS A 164 4.861 -1.429 6.555 1.00 50.00 H +ATOM 2664 N ILE A 165 2.031 -8.199 4.974 1.00 50.00 N +ATOM 2665 CA ILE A 165 1.845 -9.445 4.271 1.00 50.00 C +ATOM 2666 C ILE A 165 0.557 -9.324 3.450 1.00 50.00 C +ATOM 2667 O ILE A 165 0.525 -9.674 2.290 1.00 50.00 O +ATOM 2668 CB ILE A 165 1.694 -10.660 5.212 1.00 50.00 C +ATOM 2669 CG1 ILE A 165 2.894 -10.831 6.123 1.00 50.00 C +ATOM 2670 CG2 ILE A 165 1.550 -11.944 4.404 1.00 50.00 C +ATOM 2671 CD1 ILE A 165 2.571 -11.637 7.383 1.00 50.00 C +ATOM 2672 H ILE A 165 1.964 -8.188 5.982 1.00 50.00 H +ATOM 2673 HA ILE A 165 2.721 -9.625 3.649 1.00 50.00 H +ATOM 2674 HB ILE A 165 0.808 -10.531 5.833 1.00 50.00 H +ATOM 2675 1HG1 ILE A 165 3.694 -11.333 5.580 1.00 50.00 H +ATOM 2676 2HG1 ILE A 165 3.267 -9.851 6.421 1.00 50.00 H +ATOM 2677 1HG2 ILE A 165 1.445 -12.791 5.082 1.00 50.00 H +ATOM 2678 2HG2 ILE A 165 0.668 -11.877 3.769 1.00 50.00 H +ATOM 2679 3HG2 ILE A 165 2.435 -12.084 3.783 1.00 50.00 H +ATOM 2680 1HD1 ILE A 165 3.467 -11.727 7.997 1.00 50.00 H +ATOM 2681 2HD1 ILE A 165 1.791 -11.128 7.951 1.00 50.00 H +ATOM 2682 3HD1 ILE A 165 2.225 -12.630 7.100 1.00 50.00 H +ATOM 2683 N ALA A 166 -0.507 -8.815 4.072 1.00 50.00 N +ATOM 2684 CA ALA A 166 -1.782 -8.678 3.408 1.00 50.00 C +ATOM 2685 C ALA A 166 -1.742 -7.707 2.179 1.00 50.00 C +ATOM 2686 O ALA A 166 -2.297 -8.000 1.121 1.00 50.00 O +ATOM 2687 CB ALA A 166 -2.811 -8.269 4.415 1.00 50.00 C +ATOM 2688 H ALA A 166 -0.418 -8.517 5.033 1.00 50.00 H +ATOM 2689 HA ALA A 166 -2.049 -9.646 2.985 1.00 50.00 H +ATOM 2690 1HB ALA A 166 -3.778 -8.163 3.924 1.00 50.00 H +ATOM 2691 2HB ALA A 166 -2.881 -9.029 5.193 1.00 50.00 H +ATOM 2692 3HB ALA A 166 -2.525 -7.318 4.862 1.00 50.00 H +ATOM 2693 N GLY A 167 -1.041 -6.588 2.323 1.00 0.00 N +ATOM 2694 CA GLY A 167 -0.935 -5.569 1.294 1.00 0.00 C +ATOM 2695 C GLY A 167 -0.168 -6.142 0.118 1.00 0.00 C +ATOM 2696 O GLY A 167 -0.621 -6.066 -1.018 1.00 0.00 O +ATOM 2697 H GLY A 167 -0.561 -6.452 3.201 1.00 0.00 H +ATOM 2698 1HA GLY A 167 -1.933 -5.252 0.992 1.00 0.00 H +ATOM 2699 2HA GLY A 167 -0.429 -4.694 1.700 1.00 0.00 H +ATOM 2700 N LEU A 168 0.971 -6.783 0.405 1.00 50.00 N +ATOM 2701 CA LEU A 168 1.788 -7.406 -0.648 1.00 50.00 C +ATOM 2702 C LEU A 168 0.944 -8.437 -1.419 1.00 50.00 C +ATOM 2703 O LEU A 168 0.932 -8.418 -2.636 1.00 50.00 O +ATOM 2704 CB LEU A 168 3.027 -8.093 -0.065 1.00 50.00 C +ATOM 2705 CG LEU A 168 4.025 -8.754 -1.033 1.00 50.00 C +ATOM 2706 CD1 LEU A 168 4.516 -7.768 -2.092 1.00 50.00 C +ATOM 2707 CD2 LEU A 168 5.195 -9.274 -0.216 1.00 50.00 C +ATOM 2708 H LEU A 168 1.278 -6.841 1.365 1.00 50.00 H +ATOM 2709 HA LEU A 168 2.122 -6.627 -1.332 1.00 50.00 H +ATOM 2710 1HB LEU A 168 3.596 -7.359 0.504 1.00 50.00 H +ATOM 2711 2HB LEU A 168 2.701 -8.877 0.618 1.00 50.00 H +ATOM 2712 HG LEU A 168 3.535 -9.576 -1.555 1.00 50.00 H +ATOM 2713 1HD1 LEU A 168 5.219 -8.269 -2.758 1.00 50.00 H +ATOM 2714 2HD1 LEU A 168 3.667 -7.402 -2.670 1.00 50.00 H +ATOM 2715 3HD1 LEU A 168 5.013 -6.929 -1.606 1.00 50.00 H +ATOM 2716 1HD2 LEU A 168 5.919 -9.749 -0.879 1.00 50.00 H +ATOM 2717 2HD2 LEU A 168 5.671 -8.444 0.307 1.00 50.00 H +ATOM 2718 3HD2 LEU A 168 4.836 -10.002 0.511 1.00 50.00 H +ATOM 2719 N ALA A 169 0.245 -9.313 -0.680 1.00 50.00 N +ATOM 2720 CA ALA A 169 -0.643 -10.315 -1.249 1.00 50.00 C +ATOM 2721 C ALA A 169 -1.698 -9.715 -2.178 1.00 50.00 C +ATOM 2722 O ALA A 169 -1.938 -10.229 -3.247 1.00 50.00 O +ATOM 2723 CB ALA A 169 -1.332 -11.102 -0.143 1.00 50.00 C +ATOM 2724 H ALA A 169 0.351 -9.262 0.323 1.00 50.00 H +ATOM 2725 HA ALA A 169 -0.042 -11.000 -1.847 1.00 50.00 H +ATOM 2726 1HB ALA A 169 -1.993 -11.848 -0.585 1.00 50.00 H +ATOM 2727 2HB ALA A 169 -0.582 -11.600 0.471 1.00 50.00 H +ATOM 2728 3HB ALA A 169 -1.915 -10.423 0.477 1.00 50.00 H +ATOM 2729 N VAL A 170 -2.356 -8.647 -1.720 1.00 50.00 N +ATOM 2730 CA VAL A 170 -3.389 -7.976 -2.502 1.00 50.00 C +ATOM 2731 C VAL A 170 -2.823 -7.466 -3.849 1.00 50.00 C +ATOM 2732 O VAL A 170 -3.435 -7.645 -4.890 1.00 50.00 O +ATOM 2733 CB VAL A 170 -3.990 -6.806 -1.708 1.00 50.00 C +ATOM 2734 CG1 VAL A 170 -4.709 -5.819 -2.610 1.00 50.00 C +ATOM 2735 CG2 VAL A 170 -4.949 -7.317 -0.691 1.00 50.00 C +ATOM 2736 H VAL A 170 -2.128 -8.295 -0.801 1.00 50.00 H +ATOM 2737 HA VAL A 170 -4.181 -8.694 -2.718 1.00 50.00 H +ATOM 2738 HB VAL A 170 -3.185 -6.267 -1.208 1.00 50.00 H +ATOM 2739 1HG1 VAL A 170 -5.119 -5.007 -2.008 1.00 50.00 H +ATOM 2740 2HG1 VAL A 170 -4.006 -5.412 -3.337 1.00 50.00 H +ATOM 2741 3HG1 VAL A 170 -5.520 -6.327 -3.132 1.00 50.00 H +ATOM 2742 1HG2 VAL A 170 -5.368 -6.480 -0.134 1.00 50.00 H +ATOM 2743 2HG2 VAL A 170 -5.752 -7.861 -1.189 1.00 50.00 H +ATOM 2744 3HG2 VAL A 170 -4.429 -7.986 -0.004 1.00 50.00 H +ATOM 2745 N GLY A 171 -1.652 -6.834 -3.794 1.00 0.00 N +ATOM 2746 CA GLY A 171 -0.972 -6.306 -4.954 1.00 0.00 C +ATOM 2747 C GLY A 171 -0.666 -7.394 -5.979 1.00 0.00 C +ATOM 2748 O GLY A 171 -0.957 -7.269 -7.167 1.00 0.00 O +ATOM 2749 H GLY A 171 -1.228 -6.726 -2.884 1.00 0.00 H +ATOM 2750 1HA GLY A 171 -1.589 -5.536 -5.418 1.00 0.00 H +ATOM 2751 2HA GLY A 171 -0.042 -5.830 -4.645 1.00 0.00 H +ATOM 2752 N LEU A 172 -0.032 -8.465 -5.506 1.00 50.00 N +ATOM 2753 CA LEU A 172 0.328 -9.595 -6.354 1.00 50.00 C +ATOM 2754 C LEU A 172 -0.913 -10.180 -7.027 1.00 50.00 C +ATOM 2755 O LEU A 172 -0.905 -10.472 -8.216 1.00 50.00 O +ATOM 2756 CB LEU A 172 1.052 -10.670 -5.554 1.00 50.00 C +ATOM 2757 CG LEU A 172 2.444 -10.231 -5.048 1.00 50.00 C +ATOM 2758 CD1 LEU A 172 3.068 -11.352 -4.219 1.00 50.00 C +ATOM 2759 CD2 LEU A 172 3.427 -9.740 -6.104 1.00 50.00 C +ATOM 2760 H LEU A 172 0.206 -8.491 -4.525 1.00 50.00 H +ATOM 2761 HA LEU A 172 0.997 -9.240 -7.137 1.00 50.00 H +ATOM 2762 1HB LEU A 172 0.436 -10.940 -4.698 1.00 50.00 H +ATOM 2763 2HB LEU A 172 1.169 -11.552 -6.183 1.00 50.00 H +ATOM 2764 HG LEU A 172 2.332 -9.409 -4.341 1.00 50.00 H +ATOM 2765 1HD1 LEU A 172 4.050 -11.039 -3.864 1.00 50.00 H +ATOM 2766 2HD1 LEU A 172 2.427 -11.573 -3.365 1.00 50.00 H +ATOM 2767 3HD1 LEU A 172 3.173 -12.244 -4.835 1.00 50.00 H +ATOM 2768 1HD2 LEU A 172 4.366 -9.461 -5.625 1.00 50.00 H +ATOM 2769 2HD2 LEU A 172 3.611 -10.535 -6.827 1.00 50.00 H +ATOM 2770 3HD2 LEU A 172 3.009 -8.873 -6.616 1.00 50.00 H +ATOM 2771 N ALA A 173 -1.988 -10.311 -6.252 1.00 50.00 N +ATOM 2772 CA ALA A 173 -3.220 -10.950 -6.681 1.00 50.00 C +ATOM 2773 C ALA A 173 -3.971 -10.124 -7.721 1.00 50.00 C +ATOM 2774 O ALA A 173 -4.545 -10.667 -8.641 1.00 50.00 O +ATOM 2775 CB ALA A 173 -4.119 -11.233 -5.467 1.00 50.00 C +ATOM 2776 H ALA A 173 -1.927 -9.939 -5.315 1.00 50.00 H +ATOM 2777 HA ALA A 173 -2.962 -11.895 -7.160 1.00 50.00 H +ATOM 2778 1HB ALA A 173 -5.040 -11.712 -5.800 1.00 50.00 H +ATOM 2779 2HB ALA A 173 -3.597 -11.893 -4.774 1.00 50.00 H +ATOM 2780 3HB ALA A 173 -4.358 -10.297 -4.966 1.00 50.00 H +ATOM 2781 N MET A 174 -4.022 -8.805 -7.512 1.00 50.00 N +ATOM 2782 CA MET A 174 -4.630 -7.921 -8.483 1.00 50.00 C +ATOM 2783 C MET A 174 -3.833 -7.881 -9.792 1.00 50.00 C +ATOM 2784 O MET A 174 -4.427 -7.776 -10.897 1.00 50.00 O +ATOM 2785 CB MET A 174 -4.822 -6.526 -7.911 1.00 50.00 C +ATOM 2786 CG MET A 174 -5.956 -6.449 -6.887 1.00 50.00 C +ATOM 2787 SD MET A 174 -6.047 -4.785 -6.163 1.00 50.00 S +ATOM 2788 CE MET A 174 -7.121 -3.976 -7.382 1.00 50.00 C +ATOM 2789 H MET A 174 -3.632 -8.414 -6.666 1.00 50.00 H +ATOM 2790 HA MET A 174 -5.609 -8.320 -8.748 1.00 50.00 H +ATOM 2791 1HB MET A 174 -3.900 -6.199 -7.433 1.00 50.00 H +ATOM 2792 2HB MET A 174 -5.037 -5.827 -8.720 1.00 50.00 H +ATOM 2793 1HG MET A 174 -6.901 -6.688 -7.373 1.00 50.00 H +ATOM 2794 2HG MET A 174 -5.784 -7.181 -6.098 1.00 50.00 H +ATOM 2795 1HE MET A 174 -7.284 -2.938 -7.092 1.00 50.00 H +ATOM 2796 2HE MET A 174 -6.647 -4.009 -8.364 1.00 50.00 H +ATOM 2797 3HE MET A 174 -8.079 -4.495 -7.424 1.00 50.00 H +ATOM 2798 N ALA A 175 -2.498 -7.964 -9.668 1.00 50.00 N +ATOM 2799 CA ALA A 175 -1.603 -7.997 -10.827 1.00 50.00 C +ATOM 2800 C ALA A 175 -1.871 -9.244 -11.669 1.00 50.00 C +ATOM 2801 O ALA A 175 -1.958 -9.165 -12.872 1.00 50.00 O +ATOM 2802 CB ALA A 175 -0.134 -7.920 -10.395 1.00 50.00 C +ATOM 2803 H ALA A 175 -2.102 -8.005 -8.740 1.00 50.00 H +ATOM 2804 HA ALA A 175 -1.826 -7.132 -11.452 1.00 50.00 H +ATOM 2805 1HB ALA A 175 0.506 -7.947 -11.277 1.00 50.00 H +ATOM 2806 2HB ALA A 175 0.037 -6.991 -9.850 1.00 50.00 H +ATOM 2807 3HB ALA A 175 0.100 -8.766 -9.751 1.00 50.00 H +ATOM 2808 N PHE A 176 -2.007 -10.382 -10.983 1.00 50.00 N +ATOM 2809 CA PHE A 176 -2.358 -11.679 -11.542 1.00 50.00 C +ATOM 2810 C PHE A 176 -3.680 -11.619 -12.287 1.00 50.00 C +ATOM 2811 O PHE A 176 -3.774 -12.015 -13.462 1.00 50.00 O +ATOM 2812 CB PHE A 176 -2.445 -12.732 -10.418 1.00 50.00 C +ATOM 2813 CG PHE A 176 -2.761 -14.091 -10.912 1.00 50.00 C +ATOM 2814 CD1 PHE A 176 -1.750 -14.951 -11.277 1.00 50.00 C +ATOM 2815 CD2 PHE A 176 -4.076 -14.496 -11.066 1.00 50.00 C +ATOM 2816 CE1 PHE A 176 -2.047 -16.194 -11.782 1.00 50.00 C +ATOM 2817 CE2 PHE A 176 -4.380 -15.742 -11.574 1.00 50.00 C +ATOM 2818 CZ PHE A 176 -3.362 -16.590 -11.931 1.00 50.00 C +ATOM 2819 H PHE A 176 -1.845 -10.302 -9.989 1.00 50.00 H +ATOM 2820 HA PHE A 176 -1.578 -11.976 -12.244 1.00 50.00 H +ATOM 2821 1HB PHE A 176 -1.497 -12.772 -9.883 1.00 50.00 H +ATOM 2822 2HB PHE A 176 -3.212 -12.438 -9.703 1.00 50.00 H +ATOM 2823 HD1 PHE A 176 -0.713 -14.634 -11.160 1.00 50.00 H +ATOM 2824 HD2 PHE A 176 -4.877 -13.814 -10.780 1.00 50.00 H +ATOM 2825 HE1 PHE A 176 -1.243 -16.872 -12.067 1.00 50.00 H +ATOM 2826 HE2 PHE A 176 -5.417 -16.056 -11.694 1.00 50.00 H +ATOM 2827 HZ PHE A 176 -3.593 -17.575 -12.333 1.00 50.00 H +ATOM 2828 N VAL A 177 -4.705 -11.112 -11.599 1.00 50.00 N +ATOM 2829 CA VAL A 177 -6.025 -10.972 -12.179 1.00 50.00 C +ATOM 2830 C VAL A 177 -5.962 -10.056 -13.401 1.00 50.00 C +ATOM 2831 O VAL A 177 -6.437 -10.424 -14.422 1.00 50.00 O +ATOM 2832 CB VAL A 177 -7.065 -10.455 -11.135 1.00 50.00 C +ATOM 2833 CG1 VAL A 177 -8.386 -10.024 -11.816 1.00 50.00 C +ATOM 2834 CG2 VAL A 177 -7.303 -11.520 -10.041 1.00 50.00 C +ATOM 2835 H VAL A 177 -4.553 -10.818 -10.645 1.00 50.00 H +ATOM 2836 HA VAL A 177 -6.355 -11.951 -12.528 1.00 50.00 H +ATOM 2837 HB VAL A 177 -6.682 -9.545 -10.674 1.00 50.00 H +ATOM 2838 1HG1 VAL A 177 -9.087 -9.669 -11.060 1.00 50.00 H +ATOM 2839 2HG1 VAL A 177 -8.184 -9.223 -12.527 1.00 50.00 H +ATOM 2840 3HG1 VAL A 177 -8.820 -10.875 -12.340 1.00 50.00 H +ATOM 2841 1HG2 VAL A 177 -8.029 -11.145 -9.320 1.00 50.00 H +ATOM 2842 2HG2 VAL A 177 -7.683 -12.433 -10.499 1.00 50.00 H +ATOM 2843 3HG2 VAL A 177 -6.364 -11.734 -9.531 1.00 50.00 H +ATOM 2844 N ASP A 178 -5.336 -8.880 -13.272 1.00 0.00 N +ATOM 2845 CA ASP A 178 -5.197 -7.948 -14.398 1.00 0.00 C +ATOM 2846 C ASP A 178 -4.380 -8.495 -15.578 1.00 0.00 C +ATOM 2847 O ASP A 178 -4.586 -8.067 -16.709 1.00 0.00 O +ATOM 2848 CB ASP A 178 -4.608 -6.638 -13.976 1.00 0.00 C +ATOM 2849 CG ASP A 178 -5.508 -5.868 -13.045 1.00 0.00 C +ATOM 2850 OD1 ASP A 178 -6.660 -6.310 -12.846 1.00 0.00 O +ATOM 2851 OD2 ASP A 178 -5.084 -4.791 -12.520 1.00 0.00 O +ATOM 2852 H ASP A 178 -4.949 -8.628 -12.374 1.00 0.00 H +ATOM 2853 HA ASP A 178 -6.188 -7.752 -14.809 1.00 0.00 H +ATOM 2854 1HB ASP A 178 -3.654 -6.812 -13.477 1.00 0.00 H +ATOM 2855 2HB ASP A 178 -4.410 -6.027 -14.857 1.00 0.00 H +ATOM 2856 N SER A 179 -3.502 -9.466 -15.305 1.00 0.00 N +ATOM 2857 CA SER A 179 -2.658 -10.101 -16.314 1.00 0.00 C +ATOM 2858 C SER A 179 -3.367 -11.185 -17.107 1.00 0.00 C +ATOM 2859 O SER A 179 -2.833 -11.682 -18.120 1.00 0.00 O +ATOM 2860 CB SER A 179 -1.473 -10.763 -15.642 1.00 0.00 C +ATOM 2861 OG SER A 179 -0.605 -9.801 -15.113 1.00 0.00 O +ATOM 2862 H SER A 179 -3.430 -9.766 -14.343 1.00 0.00 H +ATOM 2863 HA SER A 179 -2.296 -9.331 -16.997 1.00 0.00 H +ATOM 2864 1HB SER A 179 -1.826 -11.420 -14.847 1.00 0.00 H +ATOM 2865 2HB SER A 179 -0.943 -11.381 -16.366 1.00 0.00 H +ATOM 2866 HG SER A 179 -0.997 -8.949 -15.319 1.00 0.00 H +ATOM 2867 N LEU A 180 -4.540 -11.616 -16.632 1.00 0.00 N +ATOM 2868 CA LEU A 180 -5.271 -12.636 -17.357 1.00 0.00 C +ATOM 2869 C LEU A 180 -5.867 -12.022 -18.639 1.00 0.00 C +ATOM 2870 O LEU A 180 -5.913 -12.692 -19.694 1.00 0.00 O +ATOM 2871 CB LEU A 180 -6.304 -13.306 -16.460 1.00 0.00 C +ATOM 2872 CG LEU A 180 -5.711 -14.207 -15.380 1.00 0.00 C +ATOM 2873 CD1 LEU A 180 -6.841 -14.759 -14.534 1.00 0.00 C +ATOM 2874 CD2 LEU A 180 -4.903 -15.344 -15.972 1.00 0.00 C +ATOM 2875 H LEU A 180 -4.929 -11.246 -15.777 1.00 0.00 H +ATOM 2876 HA LEU A 180 -4.565 -13.394 -17.694 1.00 0.00 H +ATOM 2877 1HB LEU A 180 -6.897 -12.532 -15.975 1.00 0.00 H +ATOM 2878 2HB LEU A 180 -6.968 -13.906 -17.082 1.00 0.00 H +ATOM 2879 HG LEU A 180 -5.054 -13.621 -14.737 1.00 0.00 H +ATOM 2880 1HD1 LEU A 180 -6.432 -15.405 -13.757 1.00 0.00 H +ATOM 2881 2HD1 LEU A 180 -7.384 -13.935 -14.071 1.00 0.00 H +ATOM 2882 3HD1 LEU A 180 -7.519 -15.334 -15.164 1.00 0.00 H +ATOM 2883 1HD2 LEU A 180 -4.499 -15.960 -15.168 1.00 0.00 H +ATOM 2884 2HD2 LEU A 180 -5.545 -15.953 -16.609 1.00 0.00 H +ATOM 2885 3HD2 LEU A 180 -4.084 -14.938 -16.565 1.00 0.00 H +ATOM 2886 N ASN A 181 -6.262 -10.741 -18.544 1.00 0.00 N +ATOM 2887 CA ASN A 181 -6.744 -9.952 -19.686 1.00 0.00 C +ATOM 2888 C ASN A 181 -5.609 -9.615 -20.685 1.00 0.00 C +ATOM 2889 O ASN A 181 -4.557 -9.068 -20.289 1.00 0.00 O +ATOM 2890 CB ASN A 181 -7.402 -8.636 -19.225 1.00 0.00 C +ATOM 2891 CG ASN A 181 -8.421 -8.825 -18.095 1.00 0.00 C +ATOM 2892 OD1 ASN A 181 -9.609 -9.072 -18.334 1.00 0.00 O +ATOM 2893 ND2 ASN A 181 -7.961 -8.669 -16.856 1.00 0.00 N +ATOM 2894 H ASN A 181 -6.220 -10.310 -17.631 1.00 0.00 H +ATOM 2895 HA ASN A 181 -7.493 -10.538 -20.220 1.00 0.00 H +ATOM 2896 1HB ASN A 181 -6.632 -7.945 -18.880 1.00 0.00 H +ATOM 2897 2HB ASN A 181 -7.909 -8.167 -20.069 1.00 0.00 H +ATOM 2898 1HD2 ASN A 181 -8.578 -8.779 -16.076 1.00 0.00 H +ATOM 2899 2HD2 ASN A 181 -7.000 -8.441 -16.705 1.00 0.00 H +ATOM 2900 N ALA A 182 -5.846 -9.945 -21.969 1.00 0.00 N +ATOM 2901 CA ALA A 182 -4.904 -9.757 -23.085 1.00 0.00 C +ATOM 2902 C ALA A 182 -3.480 -10.202 -22.749 1.00 0.00 C +ATOM 2903 O ALA A 182 -3.280 -11.181 -22.028 1.00 0.00 O +ATOM 2904 OXT ALA A 182 -2.542 -9.596 -23.189 1.00 0.00 O +ATOM 2905 CB ALA A 182 -4.912 -8.312 -23.569 1.00 0.00 C +ATOM 2906 H ALA A 182 -6.752 -10.353 -22.153 1.00 0.00 H +ATOM 2907 HA ALA A 182 -5.219 -10.400 -23.906 1.00 0.00 H +ATOM 2908 1HB ALA A 182 -4.208 -8.201 -24.393 1.00 0.00 H +ATOM 2909 2HB ALA A 182 -5.913 -8.048 -23.909 1.00 0.00 H +ATOM 2910 3HB ALA A 182 -4.621 -7.653 -22.752 1.00 0.00 H +TER +HETATM 2912 THKN MEM B 183 15.000 0.000 0.000 1.00 0.00 X +HETATM 2913 CNTR MEM B 183 0.000 0.000 0.000 1.00 0.00 X +HETATM 2914 NORM MEM B 183 0.000 0.000 1.000 1.00 0.00 X +TER +CONECT 2912 2913 +CONECT 2913 2912 2914 +CONECT 2914 2913 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/superposed_struc_DLPC_ellipse.dat b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/superposed_struc_DLPC_ellipse.dat new file mode 100644 index 0000000..ed196dd --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/mp_lipid_acc/superposed_struc_DLPC_ellipse.dat @@ -0,0 +1,7 @@ +ellipse_no z_loc h k a b r00 r01 r10 r11 +1 -15 0 0 1 1 1 0 0 1 +2 -10 0 0 1 1 1 0 0 1 +3 -5 0 0 1 1 1 0 0 1 +4 0 2.54022 1.7345 13.9208 10.8991 -0.840348 -0.542048 0.542048 -0.840348 +5 5 0.831459 4.31816 9.8289 12.7619 -0.999406 -0.0344651 0.0344651 -0.999406 +6 10 3.34465 2.24778 12.8205 14.1269 -0.896065 0.443924 -0.443924 -0.896065 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/backup_0001.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/backup_0001.pdb new file mode 100644 index 0000000..24de100 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/backup_0001.pdb @@ -0,0 +1,3167 @@ +HEADER XXXX +EXPDTA THEORETICAL MODEL +REMARK 220 +REMARK 220 EXPERIMENTAL DETAILS +REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING +REMARK 220 DATE OF DATA COLLECTION : +REMARK 220 +REMARK 220 REMARK: MODEL GENERATED BY ROSETTA +REMARK 220 +ATOM 1 N GLU A 1 4.380 17.924 -15.176 1.00 0.00 N +ATOM 2 CA GLU A 1 3.896 17.224 -13.952 1.00 0.00 C +ATOM 3 C GLU A 1 4.267 15.736 -13.951 1.00 0.00 C +ATOM 4 O GLU A 1 5.331 15.372 -14.468 1.00 0.00 O +ATOM 5 CB GLU A 1 2.388 17.408 -13.815 1.00 0.00 C +ATOM 6 CG GLU A 1 1.872 17.441 -12.391 1.00 0.00 C +ATOM 7 CD GLU A 1 0.404 17.742 -12.405 1.00 0.00 C +ATOM 8 OE1 GLU A 1 -0.368 16.783 -12.568 1.00 0.00 O +ATOM 9 OE2 GLU A 1 0.018 18.929 -12.304 1.00 0.00 O +ATOM 10 1H GLU A 1 4.118 18.888 -15.135 1.00 0.00 H +ATOM 11 2H GLU A 1 5.376 17.853 -15.230 1.00 0.00 H +ATOM 12 3H GLU A 1 3.972 17.503 -15.985 1.00 0.00 H +ATOM 13 HA GLU A 1 4.388 17.664 -13.084 1.00 0.00 H +ATOM 14 1HB GLU A 1 2.091 18.341 -14.293 1.00 0.00 H +ATOM 15 2HB GLU A 1 1.874 16.597 -14.331 1.00 0.00 H +ATOM 16 1HG GLU A 1 2.062 16.475 -11.924 1.00 0.00 H +ATOM 17 2HG GLU A 1 2.423 18.197 -11.833 1.00 0.00 H +ATOM 18 N ARG A 2 3.381 14.901 -13.386 1.00 0.00 N +ATOM 19 CA ARG A 2 3.672 13.516 -12.988 1.00 0.00 C +ATOM 20 C ARG A 2 2.450 12.956 -12.225 1.00 0.00 C +ATOM 21 O ARG A 2 1.746 12.086 -12.739 1.00 0.00 O +ATOM 22 CB ARG A 2 4.985 13.447 -12.152 1.00 0.00 C +ATOM 23 CG ARG A 2 5.153 12.281 -11.170 1.00 0.00 C +ATOM 24 CD ARG A 2 6.103 11.187 -11.647 1.00 0.00 C +ATOM 25 NE ARG A 2 5.685 9.836 -11.225 1.00 0.00 N +ATOM 26 CZ ARG A 2 6.224 8.706 -11.695 1.00 0.00 C +ATOM 27 NH1 ARG A 2 7.226 8.735 -12.586 1.00 0.00 N +ATOM 28 NH2 ARG A 2 5.783 7.533 -11.272 1.00 0.00 N +ATOM 29 H ARG A 2 2.455 15.273 -13.232 1.00 0.00 H +ATOM 30 HA ARG A 2 3.803 12.917 -13.890 1.00 0.00 H +ATOM 31 1HB ARG A 2 5.841 13.398 -12.823 1.00 0.00 H +ATOM 32 2HB ARG A 2 5.086 14.355 -11.558 1.00 0.00 H +ATOM 33 1HG ARG A 2 5.548 12.655 -10.225 1.00 0.00 H +ATOM 34 2HG ARG A 2 4.186 11.808 -10.997 1.00 0.00 H +ATOM 35 1HD ARG A 2 6.148 11.194 -12.735 1.00 0.00 H +ATOM 36 2HD ARG A 2 7.098 11.367 -11.241 1.00 0.00 H +ATOM 37 HE ARG A 2 4.946 9.766 -10.538 1.00 0.00 H +ATOM 38 1HH1 ARG A 2 7.586 9.620 -12.914 1.00 0.00 H +ATOM 39 2HH1 ARG A 2 7.621 7.872 -12.930 1.00 0.00 H +ATOM 40 1HH2 ARG A 2 5.036 7.489 -10.592 1.00 0.00 H +ATOM 41 2HH2 ARG A 2 6.191 6.681 -11.628 1.00 0.00 H +ATOM 42 N ALA A 3 2.206 13.477 -11.012 1.00 0.00 N +ATOM 43 CA ALA A 3 1.107 13.045 -10.131 1.00 0.00 C +ATOM 44 C ALA A 3 -0.306 13.473 -10.625 1.00 0.00 C +ATOM 45 O ALA A 3 -0.636 14.670 -10.594 1.00 0.00 O +ATOM 46 CB ALA A 3 1.329 13.583 -8.695 1.00 0.00 C +ATOM 47 H ALA A 3 2.826 14.211 -10.701 1.00 0.00 H +ATOM 48 HA ALA A 3 1.102 11.955 -10.104 1.00 0.00 H +ATOM 49 1HB ALA A 3 0.510 13.257 -8.054 1.00 0.00 H +ATOM 50 2HB ALA A 3 2.271 13.199 -8.304 1.00 0.00 H +ATOM 51 3HB ALA A 3 1.362 14.671 -8.716 1.00 0.00 H +ATOM 52 N GLY A 4 -1.124 12.494 -11.045 1.00 0.00 N +ATOM 53 CA GLY A 4 -2.550 12.686 -11.224 1.00 0.00 C +ATOM 54 C GLY A 4 -3.257 13.042 -9.911 1.00 0.00 C +ATOM 55 O GLY A 4 -2.664 13.030 -8.823 1.00 0.00 O +ATOM 56 H GLY A 4 -0.721 11.589 -11.243 1.00 0.00 H +ATOM 57 1HA GLY A 4 -2.722 13.481 -11.949 1.00 0.00 H +ATOM 58 2HA GLY A 4 -2.991 11.778 -11.633 1.00 0.00 H +ATOM 59 N PRO A 5 -4.580 13.320 -9.958 1.00 0.00 N +ATOM 60 CA PRO A 5 -5.304 13.785 -8.773 1.00 0.00 C +ATOM 61 C PRO A 5 -5.352 12.798 -7.634 1.00 0.00 C +ATOM 62 O PRO A 5 -5.394 13.220 -6.491 1.00 0.00 O +ATOM 63 CB PRO A 5 -6.734 14.059 -9.314 1.00 0.00 C +ATOM 64 CG PRO A 5 -6.808 13.269 -10.578 1.00 0.00 C +ATOM 65 CD PRO A 5 -5.430 13.190 -11.151 1.00 0.00 C +ATOM 66 HA PRO A 5 -4.840 14.713 -8.406 1.00 0.00 H +ATOM 67 1HB PRO A 5 -7.484 13.746 -8.573 1.00 0.00 H +ATOM 68 2HB PRO A 5 -6.875 15.137 -9.478 1.00 0.00 H +ATOM 69 1HG PRO A 5 -7.206 12.264 -10.376 1.00 0.00 H +ATOM 70 2HG PRO A 5 -7.500 13.748 -11.286 1.00 0.00 H +ATOM 71 1HD PRO A 5 -5.294 12.218 -11.648 1.00 0.00 H +ATOM 72 2HD PRO A 5 -5.281 14.014 -11.863 1.00 0.00 H +ATOM 73 N VAL A 6 -5.414 11.496 -7.922 1.00 0.00 N +ATOM 74 CA VAL A 6 -5.510 10.540 -6.832 1.00 0.00 C +ATOM 75 C VAL A 6 -4.162 10.478 -6.127 1.00 0.00 C +ATOM 76 O VAL A 6 -4.089 10.549 -4.900 1.00 0.00 O +ATOM 77 CB VAL A 6 -5.921 9.142 -7.312 1.00 0.00 C +ATOM 78 CG1 VAL A 6 -5.861 8.139 -6.165 1.00 0.00 C +ATOM 79 CG2 VAL A 6 -7.320 9.187 -7.929 1.00 0.00 C +ATOM 80 H VAL A 6 -5.396 11.157 -8.873 1.00 0.00 H +ATOM 81 HA VAL A 6 -6.271 10.887 -6.133 1.00 0.00 H +ATOM 82 HB VAL A 6 -5.206 8.800 -8.061 1.00 0.00 H +ATOM 83 1HG1 VAL A 6 -6.156 7.153 -6.527 1.00 0.00 H +ATOM 84 2HG1 VAL A 6 -4.844 8.092 -5.776 1.00 0.00 H +ATOM 85 3HG1 VAL A 6 -6.540 8.451 -5.372 1.00 0.00 H +ATOM 86 1HG2 VAL A 6 -7.600 8.190 -8.267 1.00 0.00 H +ATOM 87 2HG2 VAL A 6 -8.035 9.533 -7.183 1.00 0.00 H +ATOM 88 3HG2 VAL A 6 -7.321 9.871 -8.778 1.00 0.00 H +ATOM 89 N THR A 7 -3.084 10.375 -6.915 1.00 0.00 N +ATOM 90 CA THR A 7 -1.731 10.431 -6.338 1.00 0.00 C +ATOM 91 C THR A 7 -1.543 11.639 -5.413 1.00 0.00 C +ATOM 92 O THR A 7 -1.058 11.520 -4.300 1.00 0.00 O +ATOM 93 CB THR A 7 -0.664 10.439 -7.419 1.00 0.00 C +ATOM 94 OG1 THR A 7 -0.805 9.237 -8.216 1.00 0.00 O +ATOM 95 CG2 THR A 7 0.697 10.479 -6.726 1.00 0.00 C +ATOM 96 H THR A 7 -3.189 10.257 -7.912 1.00 0.00 H +ATOM 97 HA THR A 7 -1.582 9.546 -5.720 1.00 0.00 H +ATOM 98 HB THR A 7 -0.796 11.314 -8.055 1.00 0.00 H +ATOM 99 HG1 THR A 7 -1.537 8.715 -7.880 1.00 0.00 H +ATOM 100 1HG2 THR A 7 1.487 10.486 -7.477 1.00 0.00 H +ATOM 101 2HG2 THR A 7 0.769 11.379 -6.116 1.00 0.00 H +ATOM 102 3HG2 THR A 7 0.809 9.601 -6.091 1.00 0.00 H +ATOM 103 N TRP A 8 -2.027 12.792 -5.886 1.00 0.00 N +ATOM 104 CA TRP A 8 -1.882 14.073 -5.213 1.00 0.00 C +ATOM 105 C TRP A 8 -2.730 14.179 -3.951 1.00 0.00 C +ATOM 106 O TRP A 8 -2.261 14.618 -2.913 1.00 0.00 O +ATOM 107 CB TRP A 8 -2.279 15.132 -6.214 1.00 0.00 C +ATOM 108 CG TRP A 8 -2.343 16.504 -5.772 1.00 0.00 C +ATOM 109 CD1 TRP A 8 -3.405 17.341 -5.917 1.00 0.00 C +ATOM 110 CD2 TRP A 8 -1.300 17.284 -5.203 1.00 0.00 C +ATOM 111 NE1 TRP A 8 -3.101 18.583 -5.476 1.00 0.00 N +ATOM 112 CE2 TRP A 8 -1.811 18.586 -5.019 1.00 0.00 C +ATOM 113 CE3 TRP A 8 0.014 17.018 -4.829 1.00 0.00 C +ATOM 114 CZ2 TRP A 8 -1.049 19.632 -4.462 1.00 0.00 C +ATOM 115 CZ3 TRP A 8 0.765 18.044 -4.252 1.00 0.00 C +ATOM 116 CH2 TRP A 8 0.231 19.341 -4.087 1.00 0.00 C +ATOM 117 H TRP A 8 -2.520 12.752 -6.766 1.00 0.00 H +ATOM 118 HA TRP A 8 -0.839 14.195 -4.921 1.00 0.00 H +ATOM 119 1HB TRP A 8 -1.580 15.123 -7.050 1.00 0.00 H +ATOM 120 2HB TRP A 8 -3.268 14.904 -6.612 1.00 0.00 H +ATOM 121 HD1 TRP A 8 -4.370 17.055 -6.331 1.00 0.00 H +ATOM 122 HE1 TRP A 8 -3.722 19.379 -5.484 1.00 0.00 H +ATOM 123 HE3 TRP A 8 0.447 16.029 -4.981 1.00 0.00 H +ATOM 124 HZ2 TRP A 8 -1.453 20.636 -4.329 1.00 0.00 H +ATOM 125 HZ3 TRP A 8 1.781 17.814 -3.930 1.00 0.00 H +ATOM 126 HH2 TRP A 8 0.853 20.125 -3.654 1.00 0.00 H +ATOM 127 N VAL A 9 -4.004 13.821 -4.063 1.00 0.00 N +ATOM 128 CA VAL A 9 -4.901 14.010 -2.962 1.00 0.00 C +ATOM 129 C VAL A 9 -4.493 13.124 -1.778 1.00 0.00 C +ATOM 130 O VAL A 9 -4.557 13.548 -0.666 1.00 0.00 O +ATOM 131 CB VAL A 9 -6.384 13.867 -3.364 1.00 0.00 C +ATOM 132 CG1 VAL A 9 -7.269 13.721 -2.133 1.00 0.00 C +ATOM 133 CG2 VAL A 9 -6.809 15.081 -4.144 1.00 0.00 C +ATOM 134 H VAL A 9 -4.354 13.413 -4.918 1.00 0.00 H +ATOM 135 HA VAL A 9 -4.764 15.019 -2.573 1.00 0.00 H +ATOM 136 HB VAL A 9 -6.500 12.974 -3.978 1.00 0.00 H +ATOM 137 1HG1 VAL A 9 -8.310 13.622 -2.443 1.00 0.00 H +ATOM 138 2HG1 VAL A 9 -6.972 12.834 -1.574 1.00 0.00 H +ATOM 139 3HG1 VAL A 9 -7.162 14.603 -1.501 1.00 0.00 H +ATOM 140 1HG2 VAL A 9 -7.856 14.982 -4.429 1.00 0.00 H +ATOM 141 2HG2 VAL A 9 -6.682 15.972 -3.528 1.00 0.00 H +ATOM 142 3HG2 VAL A 9 -6.195 15.170 -5.041 1.00 0.00 H +ATOM 143 N MET A 10 -4.026 11.906 -2.046 1.00 0.00 N +ATOM 144 CA MET A 10 -3.566 11.054 -0.969 1.00 0.00 C +ATOM 145 C MET A 10 -2.351 11.684 -0.222 1.00 0.00 C +ATOM 146 O MET A 10 -2.227 11.526 1.010 1.00 0.00 O +ATOM 147 CB MET A 10 -3.181 9.713 -1.563 1.00 0.00 C +ATOM 148 CG MET A 10 -2.397 8.800 -0.624 1.00 0.00 C +ATOM 149 SD MET A 10 -3.393 8.267 0.783 1.00 0.00 S +ATOM 150 CE MET A 10 -4.545 7.153 0.009 1.00 0.00 C +ATOM 151 H MET A 10 -3.986 11.564 -2.995 1.00 0.00 H +ATOM 152 HA MET A 10 -4.383 10.923 -0.259 1.00 0.00 H +ATOM 153 1HB MET A 10 -4.080 9.180 -1.869 1.00 0.00 H +ATOM 154 2HB MET A 10 -2.574 9.871 -2.455 1.00 0.00 H +ATOM 155 1HG MET A 10 -2.059 7.920 -1.170 1.00 0.00 H +ATOM 156 2HG MET A 10 -1.519 9.328 -0.252 1.00 0.00 H +ATOM 157 1HE MET A 10 -5.222 6.748 0.762 1.00 0.00 H +ATOM 158 2HE MET A 10 -5.121 7.690 -0.746 1.00 0.00 H +ATOM 159 3HE MET A 10 -4.000 6.336 -0.464 1.00 0.00 H +ATOM 160 N MET A 11 -1.422 12.302 -0.986 1.00 0.00 N +ATOM 161 CA MET A 11 -0.214 12.978 -0.438 1.00 0.00 C +ATOM 162 C MET A 11 -0.629 14.143 0.459 1.00 0.00 C +ATOM 163 O MET A 11 -0.228 14.229 1.610 1.00 0.00 O +ATOM 164 CB MET A 11 0.704 13.470 -1.567 1.00 0.00 C +ATOM 165 CG MET A 11 1.428 12.320 -2.250 1.00 0.00 C +ATOM 166 SD MET A 11 2.386 12.677 -3.757 1.00 0.00 S +ATOM 167 CE MET A 11 3.976 13.088 -3.023 1.00 0.00 C +ATOM 168 H MET A 11 -1.572 12.295 -1.984 1.00 0.00 H +ATOM 169 HA MET A 11 0.341 12.260 0.165 1.00 0.00 H +ATOM 170 1HB MET A 11 0.113 14.011 -2.306 1.00 0.00 H +ATOM 171 2HB MET A 11 1.438 14.167 -1.162 1.00 0.00 H +ATOM 172 1HG MET A 11 2.137 11.872 -1.554 1.00 0.00 H +ATOM 173 2HG MET A 11 0.706 11.556 -2.539 1.00 0.00 H +ATOM 174 1HE MET A 11 4.687 13.335 -3.811 1.00 0.00 H +ATOM 175 2HE MET A 11 3.859 13.943 -2.357 1.00 0.00 H +ATOM 176 3HE MET A 11 4.345 12.233 -2.455 1.00 0.00 H +ATOM 177 N ILE A 12 -1.481 15.008 -0.083 1.00 0.00 N +ATOM 178 CA ILE A 12 -2.049 16.103 0.664 1.00 0.00 C +ATOM 179 C ILE A 12 -2.698 15.597 1.966 1.00 0.00 C +ATOM 180 O ILE A 12 -2.426 16.088 3.061 1.00 0.00 O +ATOM 181 CB ILE A 12 -3.100 16.825 -0.202 1.00 0.00 C +ATOM 182 CG1 ILE A 12 -2.401 17.671 -1.234 1.00 0.00 C +ATOM 183 CG2 ILE A 12 -4.029 17.681 0.651 1.00 0.00 C +ATOM 184 CD1 ILE A 12 -3.359 18.231 -2.287 1.00 0.00 C +ATOM 185 H ILE A 12 -1.736 14.889 -1.053 1.00 0.00 H +ATOM 186 HA ILE A 12 -1.251 16.802 0.913 1.00 0.00 H +ATOM 187 HB ILE A 12 -3.701 16.089 -0.735 1.00 0.00 H +ATOM 188 1HG1 ILE A 12 -1.896 18.501 -0.741 1.00 0.00 H +ATOM 189 2HG1 ILE A 12 -1.638 17.076 -1.735 1.00 0.00 H +ATOM 190 1HG2 ILE A 12 -4.758 18.177 0.010 1.00 0.00 H +ATOM 191 2HG2 ILE A 12 -4.549 17.048 1.370 1.00 0.00 H +ATOM 192 3HG2 ILE A 12 -3.446 18.431 1.185 1.00 0.00 H +ATOM 193 1HD1 ILE A 12 -2.800 18.832 -3.005 1.00 0.00 H +ATOM 194 2HD1 ILE A 12 -3.849 17.407 -2.807 1.00 0.00 H +ATOM 195 3HD1 ILE A 12 -4.110 18.852 -1.802 1.00 0.00 H +ATOM 196 N ALA A 13 -3.560 14.591 1.828 1.00 0.00 N +ATOM 197 CA ALA A 13 -4.288 14.023 2.939 1.00 0.00 C +ATOM 198 C ALA A 13 -3.364 13.479 4.026 1.00 0.00 C +ATOM 199 O ALA A 13 -3.598 13.728 5.185 1.00 0.00 O +ATOM 200 CB ALA A 13 -5.221 12.952 2.470 1.00 0.00 C +ATOM 201 H ALA A 13 -3.704 14.216 0.902 1.00 0.00 H +ATOM 202 HA ALA A 13 -4.873 14.818 3.403 1.00 0.00 H +ATOM 203 1HB ALA A 13 -5.759 12.538 3.323 1.00 0.00 H +ATOM 204 2HB ALA A 13 -5.934 13.375 1.762 1.00 0.00 H +ATOM 205 3HB ALA A 13 -4.652 12.162 1.983 1.00 0.00 H +ATOM 206 N CYS A 14 -2.306 12.756 3.632 1.00 0.00 N +ATOM 207 CA CYS A 14 -1.334 12.232 4.599 1.00 0.00 C +ATOM 208 C CYS A 14 -0.548 13.355 5.340 1.00 0.00 C +ATOM 209 O CYS A 14 -0.250 13.252 6.541 1.00 0.00 O +ATOM 210 CB CYS A 14 -0.343 11.275 3.893 1.00 0.00 C +ATOM 211 SG CYS A 14 -1.073 9.684 3.499 1.00 0.00 S +ATOM 212 H CYS A 14 -2.173 12.567 2.649 1.00 0.00 H +ATOM 213 HA CYS A 14 -1.873 11.675 5.365 1.00 0.00 H +ATOM 214 1HB CYS A 14 0.012 11.735 2.970 1.00 0.00 H +ATOM 215 2HB CYS A 14 0.525 11.113 4.532 1.00 0.00 H +ATOM 216 HG CYS A 14 0.016 9.168 2.937 1.00 0.00 H +ATOM 217 N VAL A 15 -0.234 14.425 4.607 1.00 0.00 N +ATOM 218 CA VAL A 15 0.485 15.525 5.184 1.00 0.00 C +ATOM 219 C VAL A 15 -0.390 16.273 6.190 1.00 0.00 C +ATOM 220 O VAL A 15 0.037 16.552 7.323 1.00 0.00 O +ATOM 221 CB VAL A 15 1.040 16.443 4.116 1.00 0.00 C +ATOM 222 CG1 VAL A 15 1.632 17.660 4.791 1.00 0.00 C +ATOM 223 CG2 VAL A 15 2.110 15.683 3.291 1.00 0.00 C +ATOM 224 H VAL A 15 -0.503 14.469 3.634 1.00 0.00 H +ATOM 225 HA VAL A 15 1.322 15.127 5.759 1.00 0.00 H +ATOM 226 HB VAL A 15 0.227 16.760 3.463 1.00 0.00 H +ATOM 227 1HG1 VAL A 15 2.037 18.334 4.035 1.00 0.00 H +ATOM 228 2HG1 VAL A 15 0.856 18.175 5.357 1.00 0.00 H +ATOM 229 3HG1 VAL A 15 2.430 17.351 5.465 1.00 0.00 H +ATOM 230 1HG2 VAL A 15 2.511 16.342 2.521 1.00 0.00 H +ATOM 231 2HG2 VAL A 15 2.917 15.361 3.950 1.00 0.00 H +ATOM 232 3HG2 VAL A 15 1.655 14.811 2.821 1.00 0.00 H +ATOM 233 N VAL A 16 -1.626 16.563 5.784 1.00 0.00 N +ATOM 234 CA VAL A 16 -2.582 17.233 6.681 1.00 0.00 C +ATOM 235 C VAL A 16 -2.791 16.412 7.975 1.00 0.00 C +ATOM 236 O VAL A 16 -2.794 16.962 9.063 1.00 0.00 O +ATOM 237 CB VAL A 16 -3.922 17.515 5.965 1.00 0.00 C +ATOM 238 CG1 VAL A 16 -4.978 17.959 6.944 1.00 0.00 C +ATOM 239 CG2 VAL A 16 -3.744 18.613 4.940 1.00 0.00 C +ATOM 240 H VAL A 16 -1.916 16.322 4.847 1.00 0.00 H +ATOM 241 HA VAL A 16 -2.154 18.186 6.994 1.00 0.00 H +ATOM 242 HB VAL A 16 -4.256 16.605 5.467 1.00 0.00 H +ATOM 243 1HG1 VAL A 16 -5.911 18.150 6.412 1.00 0.00 H +ATOM 244 2HG1 VAL A 16 -5.139 17.176 7.686 1.00 0.00 H +ATOM 245 3HG1 VAL A 16 -4.652 18.871 7.443 1.00 0.00 H +ATOM 246 1HG2 VAL A 16 -4.694 18.802 4.441 1.00 0.00 H +ATOM 247 2HG2 VAL A 16 -3.406 19.523 5.435 1.00 0.00 H +ATOM 248 3HG2 VAL A 16 -3.003 18.305 4.202 1.00 0.00 H +ATOM 249 N VAL A 17 -2.983 15.096 7.833 1.00 0.00 N +ATOM 250 CA VAL A 17 -3.165 14.255 8.981 1.00 0.00 C +ATOM 251 C VAL A 17 -1.902 14.258 9.886 1.00 0.00 C +ATOM 252 O VAL A 17 -2.006 14.339 11.091 1.00 0.00 O +ATOM 253 CB VAL A 17 -3.573 12.835 8.617 1.00 0.00 C +ATOM 254 CG1 VAL A 17 -3.614 11.951 9.893 1.00 0.00 C +ATOM 255 CG2 VAL A 17 -4.943 12.838 7.947 1.00 0.00 C +ATOM 256 H VAL A 17 -3.003 14.682 6.912 1.00 0.00 H +ATOM 257 HA VAL A 17 -3.961 14.677 9.596 1.00 0.00 H +ATOM 258 HB VAL A 17 -2.835 12.419 7.931 1.00 0.00 H +ATOM 259 1HG1 VAL A 17 -3.907 10.936 9.624 1.00 0.00 H +ATOM 260 2HG1 VAL A 17 -2.626 11.933 10.354 1.00 0.00 H +ATOM 261 3HG1 VAL A 17 -4.337 12.362 10.597 1.00 0.00 H +ATOM 262 1HG2 VAL A 17 -5.224 11.817 7.691 1.00 0.00 H +ATOM 263 2HG2 VAL A 17 -5.681 13.258 8.630 1.00 0.00 H +ATOM 264 3HG2 VAL A 17 -4.902 13.442 7.040 1.00 0.00 H +ATOM 265 N PHE A 18 -0.720 14.223 9.267 1.00 0.00 N +ATOM 266 CA PHE A 18 0.534 14.235 9.999 1.00 0.00 C +ATOM 267 C PHE A 18 0.682 15.508 10.834 1.00 0.00 C +ATOM 268 O PHE A 18 1.157 15.482 11.972 1.00 0.00 O +ATOM 269 CB PHE A 18 1.695 14.083 9.003 1.00 0.00 C +ATOM 270 CG PHE A 18 3.024 13.806 9.663 1.00 0.00 C +ATOM 271 CD1 PHE A 18 3.260 12.581 10.295 1.00 0.00 C +ATOM 272 CD2 PHE A 18 4.004 14.734 9.649 1.00 0.00 C +ATOM 273 CE1 PHE A 18 4.483 12.316 10.894 1.00 0.00 C +ATOM 274 CE2 PHE A 18 5.238 14.487 10.255 1.00 0.00 C +ATOM 275 CZ PHE A 18 5.472 13.275 10.892 1.00 0.00 C +ATOM 276 H PHE A 18 -0.699 14.188 8.257 1.00 0.00 H +ATOM 277 HA PHE A 18 0.538 13.393 10.692 1.00 0.00 H +ATOM 278 1HB PHE A 18 1.478 13.267 8.314 1.00 0.00 H +ATOM 279 2HB PHE A 18 1.788 14.993 8.411 1.00 0.00 H +ATOM 280 HD1 PHE A 18 2.470 11.830 10.313 1.00 0.00 H +ATOM 281 HD2 PHE A 18 3.823 15.687 9.150 1.00 0.00 H +ATOM 282 HE1 PHE A 18 4.660 11.350 11.366 1.00 0.00 H +ATOM 283 HE2 PHE A 18 6.018 15.248 10.230 1.00 0.00 H +ATOM 284 HZ PHE A 18 6.422 13.079 11.386 1.00 0.00 H +ATOM 285 N ILE A 19 0.304 16.648 10.243 1.00 0.00 N +ATOM 286 CA ILE A 19 0.315 17.917 10.917 1.00 0.00 C +ATOM 287 C ILE A 19 -0.627 17.906 12.134 1.00 0.00 C +ATOM 288 O ILE A 19 -0.251 18.322 13.255 1.00 0.00 O +ATOM 289 CB ILE A 19 -0.088 19.041 9.962 1.00 0.00 C +ATOM 290 CG1 ILE A 19 1.039 19.280 8.957 1.00 0.00 C +ATOM 291 CG2 ILE A 19 -0.337 20.329 10.731 1.00 0.00 C +ATOM 292 CD1 ILE A 19 0.719 20.346 7.925 1.00 0.00 C +ATOM 293 H ILE A 19 -0.001 16.604 9.281 1.00 0.00 H +ATOM 294 HA ILE A 19 1.326 18.110 11.273 1.00 0.00 H +ATOM 295 HB ILE A 19 -0.999 18.762 9.435 1.00 0.00 H +ATOM 296 1HG1 ILE A 19 1.943 19.578 9.488 1.00 0.00 H +ATOM 297 2HG1 ILE A 19 1.261 18.351 8.431 1.00 0.00 H +ATOM 298 1HG2 ILE A 19 -0.621 21.119 10.036 1.00 0.00 H +ATOM 299 2HG2 ILE A 19 -1.139 20.173 11.451 1.00 0.00 H +ATOM 300 3HG2 ILE A 19 0.572 20.620 11.258 1.00 0.00 H +ATOM 301 1HD1 ILE A 19 1.564 20.460 7.246 1.00 0.00 H +ATOM 302 2HD1 ILE A 19 -0.164 20.050 7.358 1.00 0.00 H +ATOM 303 3HD1 ILE A 19 0.527 21.293 8.427 1.00 0.00 H +ATOM 304 N ALA A 20 -1.846 17.415 11.914 1.00 0.00 N +ATOM 305 CA ALA A 20 -2.819 17.292 12.971 1.00 0.00 C +ATOM 306 C ALA A 20 -2.227 16.438 14.121 1.00 0.00 C +ATOM 307 O ALA A 20 -2.456 16.731 15.313 1.00 0.00 O +ATOM 308 CB ALA A 20 -4.076 16.643 12.443 1.00 0.00 C +ATOM 309 H ALA A 20 -2.095 17.121 10.980 1.00 0.00 H +ATOM 310 HA ALA A 20 -3.057 18.293 13.330 1.00 0.00 H +ATOM 311 1HB ALA A 20 -4.805 16.554 13.248 1.00 0.00 H +ATOM 312 2HB ALA A 20 -4.493 17.255 11.643 1.00 0.00 H +ATOM 313 3HB ALA A 20 -3.840 15.653 12.057 1.00 0.00 H +ATOM 314 N MET A 21 -1.519 15.355 13.754 1.00 0.00 N +ATOM 315 CA MET A 21 -0.931 14.472 14.711 1.00 0.00 C +ATOM 316 C MET A 21 0.149 15.212 15.504 1.00 0.00 C +ATOM 317 O MET A 21 0.309 14.980 16.707 1.00 0.00 O +ATOM 318 CB MET A 21 -0.375 13.217 14.019 1.00 0.00 C +ATOM 319 CG MET A 21 -1.422 12.329 13.402 1.00 0.00 C +ATOM 320 SD MET A 21 -0.788 10.889 12.514 1.00 0.00 S +ATOM 321 CE MET A 21 -0.317 9.895 13.939 1.00 0.00 C +ATOM 322 H MET A 21 -1.401 15.162 12.769 1.00 0.00 H +ATOM 323 HA MET A 21 -1.701 14.166 15.419 1.00 0.00 H +ATOM 324 1HB MET A 21 0.317 13.513 13.231 1.00 0.00 H +ATOM 325 2HB MET A 21 0.186 12.622 14.740 1.00 0.00 H +ATOM 326 1HG MET A 21 -2.087 11.956 14.181 1.00 0.00 H +ATOM 327 2HG MET A 21 -2.017 12.905 12.694 1.00 0.00 H +ATOM 328 1HE MET A 21 0.104 8.948 13.599 1.00 0.00 H +ATOM 329 2HE MET A 21 0.427 10.433 14.528 1.00 0.00 H +ATOM 330 3HE MET A 21 -1.196 9.701 14.554 1.00 0.00 H +ATOM 331 N GLN A 22 0.893 16.123 14.861 1.00 0.00 N +ATOM 332 CA GLN A 22 1.959 16.871 15.611 1.00 0.00 C +ATOM 333 C GLN A 22 1.379 17.897 16.603 1.00 0.00 C +ATOM 334 O GLN A 22 1.968 18.175 17.615 1.00 0.00 O +ATOM 335 CB GLN A 22 2.981 17.595 14.703 1.00 0.00 C +ATOM 336 CG GLN A 22 3.639 16.757 13.598 1.00 0.00 C +ATOM 337 CD GLN A 22 4.001 15.327 14.026 1.00 0.00 C +ATOM 338 OE1 GLN A 22 4.847 15.146 14.896 1.00 0.00 O +ATOM 339 NE2 GLN A 22 3.347 14.316 13.425 1.00 0.00 N +ATOM 340 H GLN A 22 0.753 16.319 13.881 1.00 0.00 H +ATOM 341 HA GLN A 22 2.521 16.160 16.215 1.00 0.00 H +ATOM 342 1HB GLN A 22 2.497 18.436 14.208 1.00 0.00 H +ATOM 343 2HB GLN A 22 3.791 17.995 15.313 1.00 0.00 H +ATOM 344 1HG GLN A 22 2.952 16.681 12.756 1.00 0.00 H +ATOM 345 2HG GLN A 22 4.561 17.247 13.285 1.00 0.00 H +ATOM 346 1HE2 GLN A 22 3.552 13.368 13.674 1.00 0.00 H +ATOM 347 2HE2 GLN A 22 2.655 14.511 12.730 1.00 0.00 H +ATOM 348 N ILE A 23 0.235 18.489 16.269 1.00 0.00 N +ATOM 349 CA ILE A 23 -0.402 19.500 17.090 1.00 0.00 C +ATOM 350 C ILE A 23 -1.135 18.834 18.248 1.00 0.00 C +ATOM 351 O ILE A 23 -0.964 19.180 19.397 1.00 0.00 O +ATOM 352 CB ILE A 23 -1.442 20.291 16.250 1.00 0.00 C +ATOM 353 CG1 ILE A 23 -0.745 21.081 15.118 1.00 0.00 C +ATOM 354 CG2 ILE A 23 -2.266 21.226 17.126 1.00 0.00 C +ATOM 355 CD1 ILE A 23 -1.715 21.559 14.046 1.00 0.00 C +ATOM 356 H ILE A 23 -0.203 18.214 15.400 1.00 0.00 H +ATOM 357 HA ILE A 23 0.364 20.189 17.444 1.00 0.00 H +ATOM 358 HB ILE A 23 -2.118 19.593 15.757 1.00 0.00 H +ATOM 359 1HG1 ILE A 23 -0.234 21.946 15.539 1.00 0.00 H +ATOM 360 2HG1 ILE A 23 0.012 20.453 14.648 1.00 0.00 H +ATOM 361 1HG2 ILE A 23 -2.983 21.765 16.508 1.00 0.00 H +ATOM 362 2HG2 ILE A 23 -2.799 20.645 17.878 1.00 0.00 H +ATOM 363 3HG2 ILE A 23 -1.605 21.939 17.620 1.00 0.00 H +ATOM 364 1HD1 ILE A 23 -1.168 22.106 13.278 1.00 0.00 H +ATOM 365 2HD1 ILE A 23 -2.211 20.699 13.595 1.00 0.00 H +ATOM 366 3HD1 ILE A 23 -2.460 22.213 14.496 1.00 0.00 H +ATOM 367 N LEU A 24 -1.986 17.867 17.909 1.00 0.00 N +ATOM 368 CA LEU A 24 -2.901 17.218 18.842 1.00 0.00 C +ATOM 369 C LEU A 24 -2.296 15.978 19.565 1.00 0.00 C +ATOM 370 O LEU A 24 -2.837 15.515 20.595 1.00 0.00 O +ATOM 371 CB LEU A 24 -4.114 16.779 18.051 1.00 0.00 C +ATOM 372 CG LEU A 24 -4.984 17.857 17.398 1.00 0.00 C +ATOM 373 CD1 LEU A 24 -6.171 17.214 16.670 1.00 0.00 C +ATOM 374 CD2 LEU A 24 -5.450 18.870 18.454 1.00 0.00 C +ATOM 375 H LEU A 24 -1.983 17.578 16.941 1.00 0.00 H +ATOM 376 HA LEU A 24 -3.191 17.942 19.603 1.00 0.00 H +ATOM 377 1HB LEU A 24 -3.785 16.123 17.247 1.00 0.00 H +ATOM 378 2HB LEU A 24 -4.772 16.212 18.709 1.00 0.00 H +ATOM 379 HG LEU A 24 -4.406 18.378 16.634 1.00 0.00 H +ATOM 380 1HD1 LEU A 24 -6.781 17.992 16.210 1.00 0.00 H +ATOM 381 2HD1 LEU A 24 -5.802 16.540 15.897 1.00 0.00 H +ATOM 382 3HD1 LEU A 24 -6.775 16.654 17.383 1.00 0.00 H +ATOM 383 1HD2 LEU A 24 -6.068 19.633 17.980 1.00 0.00 H +ATOM 384 2HD2 LEU A 24 -6.032 18.355 19.219 1.00 0.00 H +ATOM 385 3HD2 LEU A 24 -4.582 19.340 18.915 1.00 0.00 H +ATOM 386 N GLY A 25 -1.198 15.436 19.003 1.00 0.00 N +ATOM 387 CA GLY A 25 -0.608 14.199 19.465 1.00 0.00 C +ATOM 388 C GLY A 25 -1.221 13.054 18.677 1.00 0.00 C +ATOM 389 O GLY A 25 -2.352 13.112 18.194 1.00 0.00 O +ATOM 390 H GLY A 25 -0.776 15.922 18.225 1.00 0.00 H +ATOM 391 1HA GLY A 25 0.473 14.237 19.328 1.00 0.00 H +ATOM 392 2HA GLY A 25 -0.792 14.085 20.533 1.00 0.00 H +ATOM 393 N ASP A 26 -0.433 12.005 18.485 1.00 0.00 N +ATOM 394 CA ASP A 26 -0.871 10.810 17.752 1.00 0.00 C +ATOM 395 C ASP A 26 -2.169 10.166 18.258 1.00 0.00 C +ATOM 396 O ASP A 26 -3.030 9.777 17.474 1.00 0.00 O +ATOM 397 CB ASP A 26 0.221 9.755 17.815 1.00 0.00 C +ATOM 398 CG ASP A 26 1.487 10.154 17.034 1.00 0.00 C +ATOM 399 OD1 ASP A 26 1.530 11.258 16.388 1.00 0.00 O +ATOM 400 OD2 ASP A 26 2.457 9.359 17.127 1.00 0.00 O +ATOM 401 H ASP A 26 0.505 12.035 18.860 1.00 0.00 H +ATOM 402 HA ASP A 26 -1.044 11.086 16.712 1.00 0.00 H +ATOM 403 1HB ASP A 26 0.495 9.576 18.855 1.00 0.00 H +ATOM 404 2HB ASP A 26 -0.157 8.816 17.410 1.00 0.00 H +ATOM 405 N GLN A 27 -2.308 10.063 19.582 1.00 0.00 N +ATOM 406 CA GLN A 27 -3.384 9.248 20.141 1.00 0.00 C +ATOM 407 C GLN A 27 -4.771 9.943 20.007 1.00 0.00 C +ATOM 408 O GLN A 27 -5.788 9.276 19.857 1.00 0.00 O +ATOM 409 CB GLN A 27 -3.069 8.667 21.552 1.00 0.00 C +ATOM 410 CG GLN A 27 -2.099 9.373 22.514 1.00 0.00 C +ATOM 411 CD GLN A 27 -0.731 9.768 21.951 1.00 0.00 C +ATOM 412 OE1 GLN A 27 -0.422 10.937 21.882 1.00 0.00 O +ATOM 413 NE2 GLN A 27 0.085 8.792 21.565 1.00 0.00 N +ATOM 414 H GLN A 27 -1.677 10.542 20.209 1.00 0.00 H +ATOM 415 HA GLN A 27 -3.554 8.400 19.478 1.00 0.00 H +ATOM 416 1HB GLN A 27 -3.992 8.581 22.125 1.00 0.00 H +ATOM 417 2HB GLN A 27 -2.654 7.664 21.449 1.00 0.00 H +ATOM 418 1HG GLN A 27 -2.559 10.298 22.863 1.00 0.00 H +ATOM 419 2HG GLN A 27 -1.898 8.714 23.359 1.00 0.00 H +ATOM 420 1HE2 GLN A 27 0.987 9.012 21.193 1.00 0.00 H +ATOM 421 2HE2 GLN A 27 -0.202 7.838 21.647 1.00 0.00 H +ATOM 422 N GLU A 28 -4.787 11.282 20.022 1.00 0.00 N +ATOM 423 CA GLU A 28 -6.010 12.060 19.729 1.00 0.00 C +ATOM 424 C GLU A 28 -6.455 11.848 18.294 1.00 0.00 C +ATOM 425 O GLU A 28 -7.629 11.751 18.041 1.00 0.00 O +ATOM 426 CB GLU A 28 -5.778 13.542 19.958 1.00 0.00 C +ATOM 427 CG GLU A 28 -6.975 14.426 19.664 1.00 0.00 C +ATOM 428 CD GLU A 28 -8.185 14.081 20.490 1.00 0.00 C +ATOM 429 OE1 GLU A 28 -8.052 13.622 21.637 1.00 0.00 O +ATOM 430 OE2 GLU A 28 -9.284 14.276 19.987 1.00 0.00 O +ATOM 431 H GLU A 28 -3.932 11.774 20.240 1.00 0.00 H +ATOM 432 HA GLU A 28 -6.801 11.726 20.402 1.00 0.00 H +ATOM 433 1HB GLU A 28 -5.490 13.709 20.997 1.00 0.00 H +ATOM 434 2HB GLU A 28 -4.953 13.882 19.332 1.00 0.00 H +ATOM 435 1HG GLU A 28 -6.704 15.464 19.858 1.00 0.00 H +ATOM 436 2HG GLU A 28 -7.228 14.338 18.608 1.00 0.00 H +ATOM 437 N VAL A 29 -5.509 11.749 17.358 1.00 0.00 N +ATOM 438 CA VAL A 29 -5.840 11.493 15.970 1.00 0.00 C +ATOM 439 C VAL A 29 -6.256 10.032 15.741 1.00 0.00 C +ATOM 440 O VAL A 29 -7.239 9.780 15.040 1.00 0.00 O +ATOM 441 CB VAL A 29 -4.775 11.960 14.948 1.00 0.00 C +ATOM 442 CG1 VAL A 29 -5.242 11.694 13.503 1.00 0.00 C +ATOM 443 CG2 VAL A 29 -4.519 13.466 15.086 1.00 0.00 C +ATOM 444 H VAL A 29 -4.540 11.854 17.622 1.00 0.00 H +ATOM 445 HA VAL A 29 -6.757 12.032 15.728 1.00 0.00 H +ATOM 446 HB VAL A 29 -3.846 11.421 15.133 1.00 0.00 H +ATOM 447 1HG1 VAL A 29 -4.475 12.031 12.805 1.00 0.00 H +ATOM 448 2HG1 VAL A 29 -5.411 10.626 13.366 1.00 0.00 H +ATOM 449 3HG1 VAL A 29 -6.168 12.236 13.313 1.00 0.00 H +ATOM 450 1HG2 VAL A 29 -3.767 13.775 14.360 1.00 0.00 H +ATOM 451 2HG2 VAL A 29 -5.445 14.011 14.904 1.00 0.00 H +ATOM 452 3HG2 VAL A 29 -4.161 13.684 16.092 1.00 0.00 H +ATOM 453 N MET A 30 -5.529 9.071 16.313 1.00 0.00 N +ATOM 454 CA MET A 30 -6.003 7.663 16.364 1.00 0.00 C +ATOM 455 C MET A 30 -7.487 7.572 16.815 1.00 0.00 C +ATOM 456 O MET A 30 -8.307 6.837 16.193 1.00 0.00 O +ATOM 457 CB MET A 30 -5.146 6.823 17.311 1.00 0.00 C +ATOM 458 CG MET A 30 -3.627 6.664 16.947 1.00 0.00 C +ATOM 459 SD MET A 30 -3.356 5.057 16.224 1.00 0.00 S +ATOM 460 CE MET A 30 -3.938 5.514 14.643 1.00 0.00 C +ATOM 461 H MET A 30 -4.635 9.305 16.721 1.00 0.00 H +ATOM 462 HA MET A 30 -5.926 7.236 15.365 1.00 0.00 H +ATOM 463 1HB MET A 30 -5.180 7.254 18.311 1.00 0.00 H +ATOM 464 2HB MET A 30 -5.556 5.814 17.374 1.00 0.00 H +ATOM 465 1HG MET A 30 -3.337 7.445 16.245 1.00 0.00 H +ATOM 466 2HG MET A 30 -3.024 6.775 17.848 1.00 0.00 H +ATOM 467 1HE MET A 30 -3.875 4.658 13.970 1.00 0.00 H +ATOM 468 2HE MET A 30 -4.976 5.842 14.718 1.00 0.00 H +ATOM 469 3HE MET A 30 -3.328 6.329 14.251 1.00 0.00 H +ATOM 470 N LEU A 31 -7.860 8.332 17.856 1.00 0.00 N +ATOM 471 CA LEU A 31 -9.257 8.329 18.337 1.00 0.00 C +ATOM 472 C LEU A 31 -10.272 8.530 17.236 1.00 0.00 C +ATOM 473 O LEU A 31 -11.346 7.927 17.248 1.00 0.00 O +ATOM 474 CB LEU A 31 -9.547 9.420 19.330 1.00 0.00 C +ATOM 475 CG LEU A 31 -9.151 9.271 20.772 1.00 0.00 C +ATOM 476 CD1 LEU A 31 -10.012 10.277 21.515 1.00 0.00 C +ATOM 477 CD2 LEU A 31 -9.364 7.871 21.316 1.00 0.00 C +ATOM 478 H LEU A 31 -7.181 8.917 18.322 1.00 0.00 H +ATOM 479 HA LEU A 31 -9.449 7.379 18.835 1.00 0.00 H +ATOM 480 1HB LEU A 31 -9.057 10.333 18.996 1.00 0.00 H +ATOM 481 2HB LEU A 31 -10.623 9.595 19.349 1.00 0.00 H +ATOM 482 HG LEU A 31 -8.092 9.507 20.885 1.00 0.00 H +ATOM 483 1HD1 LEU A 31 -9.785 10.234 22.580 1.00 0.00 H +ATOM 484 2HD1 LEU A 31 -9.804 11.280 21.141 1.00 0.00 H +ATOM 485 3HD1 LEU A 31 -11.064 10.041 21.359 1.00 0.00 H +ATOM 486 1HD2 LEU A 31 -9.057 7.836 22.362 1.00 0.00 H +ATOM 487 2HD2 LEU A 31 -10.420 7.608 21.239 1.00 0.00 H +ATOM 488 3HD2 LEU A 31 -8.771 7.162 20.739 1.00 0.00 H +ATOM 489 N TRP A 32 -9.943 9.398 16.288 1.00 0.00 N +ATOM 490 CA TRP A 32 -10.850 9.712 15.190 1.00 0.00 C +ATOM 491 C TRP A 32 -10.719 8.778 14.018 1.00 0.00 C +ATOM 492 O TRP A 32 -11.718 8.434 13.402 1.00 0.00 O +ATOM 493 CB TRP A 32 -10.691 11.187 14.746 1.00 0.00 C +ATOM 494 CG TRP A 32 -11.484 12.103 15.659 1.00 0.00 C +ATOM 495 CD1 TRP A 32 -11.206 12.385 16.969 1.00 0.00 C +ATOM 496 CD2 TRP A 32 -12.713 12.779 15.357 1.00 0.00 C +ATOM 497 NE1 TRP A 32 -12.167 13.210 17.492 1.00 0.00 N +ATOM 498 CE2 TRP A 32 -13.102 13.476 16.526 1.00 0.00 C +ATOM 499 CE3 TRP A 32 -13.511 12.888 14.205 1.00 0.00 C +ATOM 500 CZ2 TRP A 32 -14.259 14.279 16.579 1.00 0.00 C +ATOM 501 CZ3 TRP A 32 -14.661 13.689 14.258 1.00 0.00 C +ATOM 502 CH2 TRP A 32 -15.018 14.374 15.442 1.00 0.00 C +ATOM 503 H TRP A 32 -9.043 9.853 16.328 1.00 0.00 H +ATOM 504 HA TRP A 32 -11.873 9.564 15.534 1.00 0.00 H +ATOM 505 1HB TRP A 32 -9.637 11.463 14.768 1.00 0.00 H +ATOM 506 2HB TRP A 32 -11.037 11.297 13.719 1.00 0.00 H +ATOM 507 HD1 TRP A 32 -10.345 12.009 17.519 1.00 0.00 H +ATOM 508 HE1 TRP A 32 -12.187 13.566 18.436 1.00 0.00 H +ATOM 509 HE3 TRP A 32 -13.241 12.363 13.289 1.00 0.00 H +ATOM 510 HZ2 TRP A 32 -14.553 14.813 17.483 1.00 0.00 H +ATOM 511 HZ3 TRP A 32 -15.275 13.771 13.361 1.00 0.00 H +ATOM 512 HH2 TRP A 32 -15.918 14.990 15.449 1.00 0.00 H +ATOM 513 N LEU A 33 -9.479 8.392 13.685 1.00 0.00 N +ATOM 514 CA LEU A 33 -9.207 7.743 12.393 1.00 0.00 C +ATOM 515 C LEU A 33 -8.787 6.288 12.460 1.00 0.00 C +ATOM 516 O LEU A 33 -8.604 5.673 11.433 1.00 0.00 O +ATOM 517 CB LEU A 33 -8.145 8.508 11.654 1.00 0.00 C +ATOM 518 CG LEU A 33 -8.464 9.958 11.289 1.00 0.00 C +ATOM 519 CD1 LEU A 33 -7.269 10.537 10.548 1.00 0.00 C +ATOM 520 CD2 LEU A 33 -9.700 10.059 10.425 1.00 0.00 C +ATOM 521 H LEU A 33 -8.715 8.548 14.327 1.00 0.00 H +ATOM 522 HA LEU A 33 -10.124 7.748 11.804 1.00 0.00 H +ATOM 523 1HB LEU A 33 -7.242 8.523 12.261 1.00 0.00 H +ATOM 524 2HB LEU A 33 -7.924 7.985 10.723 1.00 0.00 H +ATOM 525 HG LEU A 33 -8.634 10.533 12.199 1.00 0.00 H +ATOM 526 1HD1 LEU A 33 -7.476 11.572 10.278 1.00 0.00 H +ATOM 527 2HD1 LEU A 33 -6.389 10.499 11.190 1.00 0.00 H +ATOM 528 3HD1 LEU A 33 -7.085 9.956 9.644 1.00 0.00 H +ATOM 529 1HD2 LEU A 33 -9.893 11.106 10.187 1.00 0.00 H +ATOM 530 2HD2 LEU A 33 -9.546 9.500 9.501 1.00 0.00 H +ATOM 531 3HD2 LEU A 33 -10.554 9.645 10.961 1.00 0.00 H +ATOM 532 N ALA A 34 -8.534 5.762 13.660 1.00 0.00 N +ATOM 533 CA ALA A 34 -8.021 4.404 13.776 1.00 0.00 C +ATOM 534 C ALA A 34 -9.134 3.407 13.437 1.00 0.00 C +ATOM 535 O ALA A 34 -10.314 3.716 13.568 1.00 0.00 O +ATOM 536 CB ALA A 34 -7.468 4.123 15.158 1.00 0.00 C +ATOM 537 H ALA A 34 -8.695 6.301 14.499 1.00 0.00 H +ATOM 538 HA ALA A 34 -7.212 4.285 13.056 1.00 0.00 H +ATOM 539 1HB ALA A 34 -7.096 3.099 15.200 1.00 0.00 H +ATOM 540 2HB ALA A 34 -6.652 4.814 15.370 1.00 0.00 H +ATOM 541 3HB ALA A 34 -8.256 4.254 15.898 1.00 0.00 H +ATOM 542 N TRP A 35 -8.729 2.233 12.978 1.00 0.00 N +ATOM 543 CA TRP A 35 -9.608 1.061 12.947 1.00 0.00 C +ATOM 544 C TRP A 35 -10.429 0.956 14.231 1.00 0.00 C +ATOM 545 O TRP A 35 -9.904 1.178 15.313 1.00 0.00 O +ATOM 546 CB TRP A 35 -8.734 -0.192 12.791 1.00 0.00 C +ATOM 547 CG TRP A 35 -9.532 -1.449 12.446 1.00 0.00 C +ATOM 548 CD1 TRP A 35 -10.184 -2.254 13.323 1.00 0.00 C +ATOM 549 CD2 TRP A 35 -9.720 -2.018 11.160 1.00 0.00 C +ATOM 550 NE1 TRP A 35 -10.734 -3.285 12.673 1.00 0.00 N +ATOM 551 CE2 TRP A 35 -10.501 -3.149 11.330 1.00 0.00 C +ATOM 552 CE3 TRP A 35 -9.316 -1.658 9.860 1.00 0.00 C +ATOM 553 CZ2 TRP A 35 -10.888 -3.971 10.254 1.00 0.00 C +ATOM 554 CZ3 TRP A 35 -9.708 -2.477 8.777 1.00 0.00 C +ATOM 555 CH2 TRP A 35 -10.459 -3.623 8.996 1.00 0.00 C +ATOM 556 H TRP A 35 -7.782 2.147 12.639 1.00 0.00 H +ATOM 557 HA TRP A 35 -10.276 1.152 12.091 1.00 0.00 H +ATOM 558 1HB TRP A 35 -7.997 -0.026 12.005 1.00 0.00 H +ATOM 559 2HB TRP A 35 -8.190 -0.374 13.717 1.00 0.00 H +ATOM 560 HD1 TRP A 35 -10.248 -2.083 14.396 1.00 0.00 H +ATOM 561 HE1 TRP A 35 -11.241 -4.047 13.100 1.00 0.00 H +ATOM 562 HE3 TRP A 35 -8.715 -0.765 9.693 1.00 0.00 H +ATOM 563 HZ2 TRP A 35 -11.508 -4.856 10.394 1.00 0.00 H +ATOM 564 HZ3 TRP A 35 -9.409 -2.191 7.768 1.00 0.00 H +ATOM 565 HH2 TRP A 35 -10.712 -4.261 8.149 1.00 0.00 H +ATOM 566 N PRO A 36 -11.730 0.584 14.186 1.00 0.00 N +ATOM 567 CA PRO A 36 -12.555 0.610 15.393 1.00 0.00 C +ATOM 568 C PRO A 36 -11.919 -0.174 16.508 1.00 0.00 C +ATOM 569 O PRO A 36 -11.621 -1.348 16.353 1.00 0.00 O +ATOM 570 CB PRO A 36 -13.848 -0.023 14.948 1.00 0.00 C +ATOM 571 CG PRO A 36 -13.873 0.181 13.474 1.00 0.00 C +ATOM 572 CD PRO A 36 -12.475 0.163 12.993 1.00 0.00 C +ATOM 573 HA PRO A 36 -12.717 1.655 15.698 1.00 0.00 H +ATOM 574 1HB PRO A 36 -13.863 -1.086 15.230 1.00 0.00 H +ATOM 575 2HB PRO A 36 -14.697 0.457 15.458 1.00 0.00 H +ATOM 576 1HG PRO A 36 -14.465 -0.610 12.992 1.00 0.00 H +ATOM 577 2HG PRO A 36 -14.360 1.137 13.231 1.00 0.00 H +ATOM 578 1HD PRO A 36 -12.208 -0.857 12.678 1.00 0.00 H +ATOM 579 2HD PRO A 36 -12.365 0.869 12.157 1.00 0.00 H +ATOM 580 N PHE A 37 -11.709 0.490 17.642 1.00 0.00 N +ATOM 581 CA PHE A 37 -11.047 -0.135 18.780 1.00 0.00 C +ATOM 582 C PHE A 37 -12.058 -0.385 19.865 1.00 0.00 C +ATOM 583 O PHE A 37 -11.730 -0.874 20.912 1.00 0.00 O +ATOM 584 CB PHE A 37 -9.874 0.733 19.285 1.00 0.00 C +ATOM 585 CG PHE A 37 -10.196 2.186 19.366 1.00 0.00 C +ATOM 586 CD1 PHE A 37 -10.808 2.706 20.488 1.00 0.00 C +ATOM 587 CD2 PHE A 37 -9.920 3.026 18.316 1.00 0.00 C +ATOM 588 CE1 PHE A 37 -11.117 4.042 20.567 1.00 0.00 C +ATOM 589 CE2 PHE A 37 -10.269 4.375 18.369 1.00 0.00 C +ATOM 590 CZ PHE A 37 -10.846 4.880 19.499 1.00 0.00 C +ATOM 591 H PHE A 37 -12.015 1.449 17.717 1.00 0.00 H +ATOM 592 HA PHE A 37 -10.648 -1.099 18.463 1.00 0.00 H +ATOM 593 1HB PHE A 37 -9.572 0.396 20.275 1.00 0.00 H +ATOM 594 2HB PHE A 37 -9.019 0.610 18.622 1.00 0.00 H +ATOM 595 HD1 PHE A 37 -11.046 2.042 21.320 1.00 0.00 H +ATOM 596 HD2 PHE A 37 -9.460 2.617 17.416 1.00 0.00 H +ATOM 597 HE1 PHE A 37 -11.575 4.442 21.471 1.00 0.00 H +ATOM 598 HE2 PHE A 37 -10.085 5.026 17.515 1.00 0.00 H +ATOM 599 HZ PHE A 37 -11.093 5.938 19.560 1.00 0.00 H +ATOM 600 N ASP A 38 -13.317 -0.080 19.576 1.00 0.00 N +ATOM 601 CA ASP A 38 -14.440 -0.339 20.475 1.00 0.00 C +ATOM 602 C ASP A 38 -15.632 -0.749 19.616 1.00 0.00 C +ATOM 603 O ASP A 38 -15.806 -0.193 18.530 1.00 0.00 O +ATOM 604 CB ASP A 38 -14.782 0.943 21.218 1.00 0.00 C +ATOM 605 CG ASP A 38 -15.622 0.687 22.435 1.00 0.00 C +ATOM 606 OD1 ASP A 38 -15.175 -0.114 23.275 1.00 0.00 O +ATOM 607 OD2 ASP A 38 -16.730 1.252 22.547 1.00 0.00 O +ATOM 608 H ASP A 38 -13.493 0.354 18.682 1.00 0.00 H +ATOM 609 HA ASP A 38 -14.140 -1.104 21.192 1.00 0.00 H +ATOM 610 1HB ASP A 38 -13.862 1.444 21.521 1.00 0.00 H +ATOM 611 2HB ASP A 38 -15.319 1.618 20.551 1.00 0.00 H +ATOM 612 N PRO A 39 -16.519 -1.669 20.079 1.00 0.00 N +ATOM 613 CA PRO A 39 -17.703 -2.053 19.293 1.00 0.00 C +ATOM 614 C PRO A 39 -18.590 -0.890 18.906 1.00 0.00 C +ATOM 615 O PRO A 39 -19.177 -0.896 17.826 1.00 0.00 O +ATOM 616 CB PRO A 39 -18.495 -2.967 20.235 1.00 0.00 C +ATOM 617 CG PRO A 39 -17.547 -3.359 21.311 1.00 0.00 C +ATOM 618 CD PRO A 39 -16.431 -2.373 21.375 1.00 0.00 C +ATOM 619 HA PRO A 39 -17.380 -2.608 18.400 1.00 0.00 H +ATOM 620 1HB PRO A 39 -19.370 -2.431 20.630 1.00 0.00 H +ATOM 621 2HB PRO A 39 -18.875 -3.838 19.681 1.00 0.00 H +ATOM 622 1HG PRO A 39 -18.068 -3.402 22.279 1.00 0.00 H +ATOM 623 2HG PRO A 39 -17.150 -4.366 21.119 1.00 0.00 H +ATOM 624 1HD PRO A 39 -16.596 -1.686 22.219 1.00 0.00 H +ATOM 625 2HD PRO A 39 -15.476 -2.907 21.489 1.00 0.00 H +ATOM 626 N THR A 40 -18.680 0.119 19.772 1.00 0.00 N +ATOM 627 CA THR A 40 -19.466 1.277 19.467 1.00 0.00 C +ATOM 628 C THR A 40 -18.961 2.073 18.240 1.00 0.00 C +ATOM 629 O THR A 40 -19.662 2.965 17.771 1.00 0.00 O +ATOM 630 CB THR A 40 -19.552 2.197 20.674 1.00 0.00 C +ATOM 631 OG1 THR A 40 -18.240 2.607 21.021 1.00 0.00 O +ATOM 632 CG2 THR A 40 -20.139 1.496 21.877 1.00 0.00 C +ATOM 633 H THR A 40 -18.191 0.075 20.656 1.00 0.00 H +ATOM 634 HA THR A 40 -20.473 0.952 19.205 1.00 0.00 H +ATOM 635 HB THR A 40 -20.181 3.054 20.433 1.00 0.00 H +ATOM 636 HG1 THR A 40 -17.610 2.209 20.415 1.00 0.00 H +ATOM 637 1HG2 THR A 40 -20.183 2.190 22.716 1.00 0.00 H +ATOM 638 2HG2 THR A 40 -21.144 1.147 21.641 1.00 0.00 H +ATOM 639 3HG2 THR A 40 -19.513 0.646 22.143 1.00 0.00 H +ATOM 640 N LEU A 41 -17.752 1.770 17.737 1.00 0.00 N +ATOM 641 CA LEU A 41 -17.169 2.499 16.607 1.00 0.00 C +ATOM 642 C LEU A 41 -17.318 1.730 15.295 1.00 0.00 C +ATOM 643 O LEU A 41 -16.887 2.193 14.234 1.00 0.00 O +ATOM 644 CB LEU A 41 -15.687 2.849 16.871 1.00 0.00 C +ATOM 645 CG LEU A 41 -15.388 3.530 18.256 1.00 0.00 C +ATOM 646 CD1 LEU A 41 -13.924 3.861 18.485 1.00 0.00 C +ATOM 647 CD2 LEU A 41 -16.212 4.793 18.453 1.00 0.00 C +ATOM 648 H LEU A 41 -17.231 1.013 18.155 1.00 0.00 H +ATOM 649 HA LEU A 41 -17.722 3.428 16.474 1.00 0.00 H +ATOM 650 1HB LEU A 41 -15.099 1.935 16.816 1.00 0.00 H +ATOM 651 2HB LEU A 41 -15.344 3.525 16.087 1.00 0.00 H +ATOM 652 HG LEU A 41 -15.629 2.836 19.062 1.00 0.00 H +ATOM 653 1HD1 LEU A 41 -13.804 4.327 19.463 1.00 0.00 H +ATOM 654 2HD1 LEU A 41 -13.334 2.945 18.446 1.00 0.00 H +ATOM 655 3HD1 LEU A 41 -13.581 4.547 17.712 1.00 0.00 H +ATOM 656 1HD2 LEU A 41 -15.978 5.234 19.422 1.00 0.00 H +ATOM 657 2HD2 LEU A 41 -15.977 5.507 17.663 1.00 0.00 H +ATOM 658 3HD2 LEU A 41 -17.273 4.546 18.414 1.00 0.00 H +ATOM 659 N LYS A 42 -17.942 0.548 15.380 1.00 0.00 N +ATOM 660 CA LYS A 42 -18.014 -0.378 14.280 1.00 0.00 C +ATOM 661 C LYS A 42 -18.741 0.239 13.083 1.00 0.00 C +ATOM 662 O LYS A 42 -18.416 -0.084 11.932 1.00 0.00 O +ATOM 663 CB LYS A 42 -18.664 -1.682 14.747 1.00 0.00 C +ATOM 664 CG LYS A 42 -20.158 -1.585 15.074 1.00 0.00 C +ATOM 665 CD LYS A 42 -20.649 -2.760 15.943 1.00 0.00 C +ATOM 666 CE LYS A 42 -21.816 -2.368 16.846 1.00 0.00 C +ATOM 667 NZ LYS A 42 -21.856 -3.217 18.084 1.00 0.00 N +ATOM 668 H LYS A 42 -18.378 0.303 16.258 1.00 0.00 H +ATOM 669 HA LYS A 42 -17.000 -0.589 13.938 1.00 0.00 H +ATOM 670 1HB LYS A 42 -18.548 -2.443 13.975 1.00 0.00 H +ATOM 671 2HB LYS A 42 -18.157 -2.042 15.642 1.00 0.00 H +ATOM 672 1HG LYS A 42 -20.354 -0.656 15.610 1.00 0.00 H +ATOM 673 2HG LYS A 42 -20.733 -1.578 14.149 1.00 0.00 H +ATOM 674 1HD LYS A 42 -20.970 -3.580 15.299 1.00 0.00 H +ATOM 675 2HD LYS A 42 -19.832 -3.114 16.572 1.00 0.00 H +ATOM 676 1HE LYS A 42 -21.718 -1.322 17.132 1.00 0.00 H +ATOM 677 2HE LYS A 42 -22.752 -2.486 16.301 1.00 0.00 H +ATOM 678 1HZ LYS A 42 -22.636 -2.936 18.661 1.00 0.00 H +ATOM 679 2HZ LYS A 42 -21.962 -4.188 17.824 1.00 0.00 H +ATOM 680 3HZ LYS A 42 -20.996 -3.100 18.602 1.00 0.00 H +ATOM 681 N PHE A 43 -19.681 1.164 13.347 1.00 0.00 N +ATOM 682 CA PHE A 43 -20.430 1.814 12.262 1.00 0.00 C +ATOM 683 C PHE A 43 -19.763 3.029 11.574 1.00 0.00 C +ATOM 684 O PHE A 43 -20.221 3.475 10.507 1.00 0.00 O +ATOM 685 CB PHE A 43 -21.829 2.142 12.752 1.00 0.00 C +ATOM 686 CG PHE A 43 -22.579 0.947 13.299 1.00 0.00 C +ATOM 687 CD1 PHE A 43 -22.980 -0.081 12.452 1.00 0.00 C +ATOM 688 CD2 PHE A 43 -22.897 0.862 14.651 1.00 0.00 C +ATOM 689 CE1 PHE A 43 -23.686 -1.176 12.929 1.00 0.00 C +ATOM 690 CE2 PHE A 43 -23.617 -0.228 15.143 1.00 0.00 C +ATOM 691 CZ PHE A 43 -24.001 -1.257 14.280 1.00 0.00 C +ATOM 692 H PHE A 43 -19.880 1.419 14.304 1.00 0.00 H +ATOM 693 HA PHE A 43 -20.495 1.121 11.422 1.00 0.00 H +ATOM 694 1HB PHE A 43 -21.773 2.897 13.536 1.00 0.00 H +ATOM 695 2HB PHE A 43 -22.411 2.564 11.933 1.00 0.00 H +ATOM 696 HD1 PHE A 43 -22.734 -0.023 11.391 1.00 0.00 H +ATOM 697 HD2 PHE A 43 -22.598 1.666 15.324 1.00 0.00 H +ATOM 698 HE1 PHE A 43 -23.990 -1.967 12.245 1.00 0.00 H +ATOM 699 HE2 PHE A 43 -23.881 -0.277 16.199 1.00 0.00 H +ATOM 700 HZ PHE A 43 -24.546 -2.119 14.663 1.00 0.00 H +ATOM 701 N GLU A 44 -18.646 3.498 12.149 1.00 0.00 N +ATOM 702 CA GLU A 44 -17.895 4.648 11.651 1.00 0.00 C +ATOM 703 C GLU A 44 -17.009 4.171 10.494 1.00 0.00 C +ATOM 704 O GLU A 44 -15.798 3.894 10.665 1.00 0.00 O +ATOM 705 CB GLU A 44 -17.134 5.288 12.812 1.00 0.00 C +ATOM 706 CG GLU A 44 -18.096 5.891 13.824 1.00 0.00 C +ATOM 707 CD GLU A 44 -17.459 6.557 15.048 1.00 0.00 C +ATOM 708 OE1 GLU A 44 -16.224 6.672 15.191 1.00 0.00 O +ATOM 709 OE2 GLU A 44 -18.231 6.970 15.938 1.00 0.00 O +ATOM 710 H GLU A 44 -18.319 3.016 12.974 1.00 0.00 H +ATOM 711 HA GLU A 44 -18.601 5.371 11.241 1.00 0.00 H +ATOM 712 1HB GLU A 44 -16.513 4.535 13.299 1.00 0.00 H +ATOM 713 2HB GLU A 44 -16.469 6.062 12.429 1.00 0.00 H +ATOM 714 1HG GLU A 44 -18.703 6.648 13.326 1.00 0.00 H +ATOM 715 2HG GLU A 44 -18.764 5.110 14.186 1.00 0.00 H +ATOM 716 N PHE A 45 -17.636 4.149 9.304 1.00 0.00 N +ATOM 717 CA PHE A 45 -17.180 3.464 8.081 1.00 0.00 C +ATOM 718 C PHE A 45 -15.781 3.828 7.630 1.00 0.00 C +ATOM 719 O PHE A 45 -15.035 2.979 7.132 1.00 0.00 O +ATOM 720 CB PHE A 45 -18.198 3.633 6.892 1.00 0.00 C +ATOM 721 CG PHE A 45 -18.453 5.081 6.457 1.00 0.00 C +ATOM 722 CD1 PHE A 45 -19.405 5.870 7.102 1.00 0.00 C +ATOM 723 CD2 PHE A 45 -17.758 5.642 5.381 1.00 0.00 C +ATOM 724 CE1 PHE A 45 -19.638 7.179 6.702 1.00 0.00 C +ATOM 725 CE2 PHE A 45 -17.988 6.951 4.990 1.00 0.00 C +ATOM 726 CZ PHE A 45 -18.931 7.717 5.647 1.00 0.00 C +ATOM 727 H PHE A 45 -18.505 4.664 9.285 1.00 0.00 H +ATOM 728 HA PHE A 45 -17.089 2.398 8.294 1.00 0.00 H +ATOM 729 1HB PHE A 45 -17.834 3.089 6.022 1.00 0.00 H +ATOM 730 2HB PHE A 45 -19.158 3.200 7.171 1.00 0.00 H +ATOM 731 HD1 PHE A 45 -19.972 5.447 7.932 1.00 0.00 H +ATOM 732 HD2 PHE A 45 -17.013 5.040 4.859 1.00 0.00 H +ATOM 733 HE1 PHE A 45 -20.381 7.783 7.223 1.00 0.00 H +ATOM 734 HE2 PHE A 45 -17.424 7.375 4.161 1.00 0.00 H +ATOM 735 HZ PHE A 45 -19.117 8.743 5.332 1.00 0.00 H +ATOM 736 N TRP A 46 -15.444 5.109 7.793 1.00 0.00 N +ATOM 737 CA TRP A 46 -14.157 5.659 7.371 1.00 0.00 C +ATOM 738 C TRP A 46 -12.970 4.942 8.045 1.00 0.00 C +ATOM 739 O TRP A 46 -11.941 4.791 7.444 1.00 0.00 O +ATOM 740 CB TRP A 46 -14.116 7.157 7.639 1.00 0.00 C +ATOM 741 CG TRP A 46 -14.116 7.547 9.082 1.00 0.00 C +ATOM 742 CD1 TRP A 46 -13.027 7.675 9.875 1.00 0.00 C +ATOM 743 CD2 TRP A 46 -15.241 7.932 9.882 1.00 0.00 C +ATOM 744 NE1 TRP A 46 -13.406 8.054 11.143 1.00 0.00 N +ATOM 745 CE2 TRP A 46 -14.761 8.232 11.163 1.00 0.00 C +ATOM 746 CE3 TRP A 46 -16.623 8.052 9.635 1.00 0.00 C +ATOM 747 CZ2 TRP A 46 -15.598 8.640 12.209 1.00 0.00 C +ATOM 748 CZ3 TRP A 46 -17.457 8.430 10.685 1.00 0.00 C +ATOM 749 CH2 TRP A 46 -16.934 8.726 11.951 1.00 0.00 C +ATOM 750 H TRP A 46 -16.120 5.718 8.230 1.00 0.00 H +ATOM 751 HA TRP A 46 -14.043 5.491 6.301 1.00 0.00 H +ATOM 752 1HB TRP A 46 -13.220 7.583 7.187 1.00 0.00 H +ATOM 753 2HB TRP A 46 -14.977 7.634 7.172 1.00 0.00 H +ATOM 754 HD1 TRP A 46 -12.001 7.503 9.557 1.00 0.00 H +ATOM 755 HE1 TRP A 46 -12.785 8.179 11.929 1.00 0.00 H +ATOM 756 HE3 TRP A 46 -17.030 7.856 8.644 1.00 0.00 H +ATOM 757 HZ2 TRP A 46 -15.212 8.886 13.199 1.00 0.00 H +ATOM 758 HZ3 TRP A 46 -18.529 8.489 10.496 1.00 0.00 H +ATOM 759 HH2 TRP A 46 -17.615 9.030 12.746 1.00 0.00 H +ATOM 760 N ARG A 47 -13.133 4.535 9.311 1.00 0.00 N +ATOM 761 CA ARG A 47 -12.068 3.879 10.086 1.00 0.00 C +ATOM 762 C ARG A 47 -11.411 2.675 9.385 1.00 0.00 C +ATOM 763 O ARG A 47 -10.258 2.348 9.661 1.00 0.00 O +ATOM 764 CB ARG A 47 -12.610 3.427 11.429 1.00 0.00 C +ATOM 765 CG ARG A 47 -13.019 4.609 12.262 1.00 0.00 C +ATOM 766 CD ARG A 47 -13.546 4.169 13.584 1.00 0.00 C +ATOM 767 NE ARG A 47 -13.907 5.288 14.429 1.00 0.00 N +ATOM 768 CZ ARG A 47 -13.074 5.958 15.235 1.00 0.00 C +ATOM 769 NH1 ARG A 47 -11.796 5.616 15.362 1.00 0.00 N +ATOM 770 NH2 ARG A 47 -13.536 6.951 15.980 1.00 0.00 N +ATOM 771 H ARG A 47 -14.032 4.691 9.744 1.00 0.00 H +ATOM 772 HA ARG A 47 -11.267 4.600 10.253 1.00 0.00 H +ATOM 773 1HB ARG A 47 -13.466 2.772 11.273 1.00 0.00 H +ATOM 774 2HB ARG A 47 -11.849 2.850 11.954 1.00 0.00 H +ATOM 775 1HG ARG A 47 -12.156 5.255 12.426 1.00 0.00 H +ATOM 776 2HG ARG A 47 -13.797 5.169 11.743 1.00 0.00 H +ATOM 777 1HD ARG A 47 -14.435 3.557 13.435 1.00 0.00 H +ATOM 778 2HD ARG A 47 -12.787 3.585 14.102 1.00 0.00 H +ATOM 779 HE ARG A 47 -14.871 5.596 14.416 1.00 0.00 H +ATOM 780 1HH1 ARG A 47 -11.429 4.831 14.842 1.00 0.00 H +ATOM 781 2HH1 ARG A 47 -11.191 6.141 15.978 1.00 0.00 H +ATOM 782 1HH2 ARG A 47 -14.514 7.200 15.940 1.00 0.00 H +ATOM 783 2HH2 ARG A 47 -12.910 7.458 16.589 1.00 0.00 H +ATOM 784 N TYR A 48 -12.151 2.009 8.487 1.00 0.00 N +ATOM 785 CA TYR A 48 -11.655 0.785 7.875 1.00 0.00 C +ATOM 786 C TYR A 48 -10.631 1.132 6.824 1.00 0.00 C +ATOM 787 O TYR A 48 -9.883 0.262 6.357 1.00 0.00 O +ATOM 788 CB TYR A 48 -12.843 -0.073 7.315 1.00 0.00 C +ATOM 789 CG TYR A 48 -13.808 -0.516 8.401 1.00 0.00 C +ATOM 790 CD1 TYR A 48 -13.446 -1.505 9.307 1.00 0.00 C +ATOM 791 CD2 TYR A 48 -15.081 0.025 8.526 1.00 0.00 C +ATOM 792 CE1 TYR A 48 -14.292 -1.929 10.306 1.00 0.00 C +ATOM 793 CE2 TYR A 48 -15.936 -0.400 9.533 1.00 0.00 C +ATOM 794 CZ TYR A 48 -15.531 -1.366 10.422 1.00 0.00 C +ATOM 795 OH TYR A 48 -16.383 -1.816 11.433 1.00 0.00 O +ATOM 796 H TYR A 48 -13.064 2.354 8.228 1.00 0.00 H +ATOM 797 HA TYR A 48 -11.136 0.203 8.637 1.00 0.00 H +ATOM 798 1HB TYR A 48 -13.392 0.507 6.572 1.00 0.00 H +ATOM 799 2HB TYR A 48 -12.448 -0.957 6.814 1.00 0.00 H +ATOM 800 HD1 TYR A 48 -12.464 -1.973 9.239 1.00 0.00 H +ATOM 801 HD2 TYR A 48 -15.418 0.791 7.828 1.00 0.00 H +ATOM 802 HE1 TYR A 48 -13.971 -2.708 10.997 1.00 0.00 H +ATOM 803 HE2 TYR A 48 -16.933 0.032 9.619 1.00 0.00 H +ATOM 804 HH TYR A 48 -17.221 -1.351 11.375 1.00 0.00 H +ATOM 805 N PHE A 49 -10.562 2.427 6.507 1.00 0.00 N +ATOM 806 CA PHE A 49 -9.627 3.005 5.529 1.00 0.00 C +ATOM 807 C PHE A 49 -8.635 4.048 6.092 1.00 0.00 C +ATOM 808 O PHE A 49 -7.472 4.076 5.702 1.00 0.00 O +ATOM 809 CB PHE A 49 -10.430 3.625 4.364 1.00 0.00 C +ATOM 810 CG PHE A 49 -11.432 2.646 3.769 1.00 0.00 C +ATOM 811 CD1 PHE A 49 -11.060 1.783 2.751 1.00 0.00 C +ATOM 812 CD2 PHE A 49 -12.682 2.547 4.283 1.00 0.00 C +ATOM 813 CE1 PHE A 49 -11.941 0.853 2.236 1.00 0.00 C +ATOM 814 CE2 PHE A 49 -13.575 1.636 3.790 1.00 0.00 C +ATOM 815 CZ PHE A 49 -13.214 0.800 2.755 1.00 0.00 C +ATOM 816 H PHE A 49 -11.209 3.035 6.987 1.00 0.00 H +ATOM 817 HA PHE A 49 -8.992 2.206 5.143 1.00 0.00 H +ATOM 818 1HB PHE A 49 -10.964 4.507 4.718 1.00 0.00 H +ATOM 819 2HB PHE A 49 -9.745 3.950 3.582 1.00 0.00 H +ATOM 820 HD1 PHE A 49 -10.048 1.840 2.349 1.00 0.00 H +ATOM 821 HD2 PHE A 49 -12.973 3.207 5.101 1.00 0.00 H +ATOM 822 HE1 PHE A 49 -11.620 0.183 1.438 1.00 0.00 H +ATOM 823 HE2 PHE A 49 -14.576 1.573 4.217 1.00 0.00 H +ATOM 824 HZ PHE A 49 -13.941 0.098 2.348 1.00 0.00 H +ATOM 825 N THR A 50 -9.094 4.877 7.022 1.00 0.00 N +ATOM 826 CA THR A 50 -8.330 6.038 7.399 1.00 0.00 C +ATOM 827 C THR A 50 -7.117 5.750 8.331 1.00 0.00 C +ATOM 828 O THR A 50 -6.277 6.620 8.499 1.00 0.00 O +ATOM 829 CB THR A 50 -9.195 7.083 8.062 1.00 0.00 C +ATOM 830 OG1 THR A 50 -9.856 6.486 9.167 1.00 0.00 O +ATOM 831 CG2 THR A 50 -10.191 7.724 7.033 1.00 0.00 C +ATOM 832 H THR A 50 -9.980 4.703 7.474 1.00 0.00 H +ATOM 833 HA THR A 50 -7.900 6.476 6.499 1.00 0.00 H +ATOM 834 HB THR A 50 -8.563 7.868 8.477 1.00 0.00 H +ATOM 835 HG1 THR A 50 -9.599 5.563 9.233 1.00 0.00 H +ATOM 836 1HG2 THR A 50 -10.801 8.473 7.536 1.00 0.00 H +ATOM 837 2HG2 THR A 50 -9.628 8.194 6.227 1.00 0.00 H +ATOM 838 3HG2 THR A 50 -10.836 6.949 6.621 1.00 0.00 H +ATOM 839 N HIS A 51 -7.009 4.518 8.862 1.00 0.00 N +ATOM 840 CA HIS A 51 -5.779 4.027 9.474 1.00 0.00 C +ATOM 841 C HIS A 51 -4.542 4.227 8.517 1.00 0.00 C +ATOM 842 O HIS A 51 -3.397 4.531 8.956 1.00 0.00 O +ATOM 843 CB HIS A 51 -5.928 2.564 9.906 1.00 0.00 C +ATOM 844 CG HIS A 51 -6.211 1.632 8.762 1.00 0.00 C +ATOM 845 ND1 HIS A 51 -5.218 1.159 7.929 1.00 0.00 N +ATOM 846 CD2 HIS A 51 -7.389 1.174 8.258 1.00 0.00 C +ATOM 847 CE1 HIS A 51 -5.772 0.413 6.984 1.00 0.00 C +ATOM 848 NE2 HIS A 51 -7.090 0.399 7.164 1.00 0.00 N +ATOM 849 H HIS A 51 -7.818 3.914 8.831 1.00 0.00 H +ATOM 850 HA HIS A 51 -5.554 4.618 10.362 1.00 0.00 H +ATOM 851 1HB HIS A 51 -5.013 2.235 10.400 1.00 0.00 H +ATOM 852 2HB HIS A 51 -6.739 2.479 10.629 1.00 0.00 H +ATOM 853 HD2 HIS A 51 -8.383 1.364 8.664 1.00 0.00 H +ATOM 854 HE1 HIS A 51 -5.239 -0.107 6.188 1.00 0.00 H +ATOM 855 HE2 HIS A 51 -7.759 -0.097 6.594 1.00 0.00 H +ATOM 856 N ALA A 52 -4.781 4.149 7.210 1.00 0.00 N +ATOM 857 CA ALA A 52 -3.718 4.327 6.223 1.00 0.00 C +ATOM 858 C ALA A 52 -3.122 5.746 6.067 1.00 0.00 C +ATOM 859 O ALA A 52 -2.003 5.887 5.536 1.00 0.00 O +ATOM 860 CB ALA A 52 -4.146 3.798 4.865 1.00 0.00 C +ATOM 861 H ALA A 52 -5.721 3.962 6.892 1.00 0.00 H +ATOM 862 HA ALA A 52 -2.847 3.763 6.558 1.00 0.00 H +ATOM 863 1HB ALA A 52 -3.338 3.941 4.147 1.00 0.00 H +ATOM 864 2HB ALA A 52 -4.376 2.735 4.945 1.00 0.00 H +ATOM 865 3HB ALA A 52 -5.030 4.336 4.528 1.00 0.00 H +ATOM 866 N LEU A 53 -3.817 6.741 6.610 1.00 0.00 N +ATOM 867 CA LEU A 53 -3.479 8.185 6.490 1.00 0.00 C +ATOM 868 C LEU A 53 -2.621 8.733 7.622 1.00 0.00 C +ATOM 869 O LEU A 53 -2.185 9.864 7.550 1.00 0.00 O +ATOM 870 CB LEU A 53 -4.746 9.030 6.430 1.00 0.00 C +ATOM 871 CG LEU A 53 -5.661 8.719 5.228 1.00 0.00 C +ATOM 872 CD1 LEU A 53 -6.846 9.662 5.239 1.00 0.00 C +ATOM 873 CD2 LEU A 53 -4.939 8.846 3.884 1.00 0.00 C +ATOM 874 H LEU A 53 -4.633 6.469 7.140 1.00 0.00 H +ATOM 875 HA LEU A 53 -2.919 8.333 5.567 1.00 0.00 H +ATOM 876 1HB LEU A 53 -5.314 8.871 7.345 1.00 0.00 H +ATOM 877 2HB LEU A 53 -4.461 10.081 6.383 1.00 0.00 H +ATOM 878 HG LEU A 53 -6.035 7.698 5.310 1.00 0.00 H +ATOM 879 1HD1 LEU A 53 -7.494 9.443 4.390 1.00 0.00 H +ATOM 880 2HD1 LEU A 53 -7.406 9.532 6.165 1.00 0.00 H +ATOM 881 3HD1 LEU A 53 -6.493 10.691 5.170 1.00 0.00 H +ATOM 882 1HD2 LEU A 53 -5.632 8.615 3.075 1.00 0.00 H +ATOM 883 2HD2 LEU A 53 -4.569 9.865 3.765 1.00 0.00 H +ATOM 884 3HD2 LEU A 53 -4.101 8.150 3.854 1.00 0.00 H +ATOM 885 N MET A 54 -2.398 7.915 8.668 1.00 0.00 N +ATOM 886 CA MET A 54 -1.666 8.322 9.868 1.00 0.00 C +ATOM 887 C MET A 54 -0.230 7.769 9.810 1.00 0.00 C +ATOM 888 O MET A 54 -0.006 6.604 9.477 1.00 0.00 O +ATOM 889 CB MET A 54 -2.358 7.720 11.073 1.00 0.00 C +ATOM 890 CG MET A 54 -3.609 8.447 11.441 1.00 0.00 C +ATOM 891 SD MET A 54 -4.380 7.850 12.945 1.00 0.00 S +ATOM 892 CE MET A 54 -5.011 6.298 12.258 1.00 0.00 C +ATOM 893 H MET A 54 -2.761 6.974 8.609 1.00 0.00 H +ATOM 894 HA MET A 54 -1.691 9.410 9.936 1.00 0.00 H +ATOM 895 1HB MET A 54 -2.605 6.680 10.868 1.00 0.00 H +ATOM 896 2HB MET A 54 -1.680 7.734 11.927 1.00 0.00 H +ATOM 897 1HG MET A 54 -3.388 9.505 11.577 1.00 0.00 H +ATOM 898 2HG MET A 54 -4.336 8.351 10.634 1.00 0.00 H +ATOM 899 1HE MET A 54 -5.540 5.745 13.034 1.00 0.00 H +ATOM 900 2HE MET A 54 -5.694 6.514 11.436 1.00 0.00 H +ATOM 901 3HE MET A 54 -4.178 5.697 11.889 1.00 0.00 H +ATOM 902 N HIS A 55 0.747 8.622 10.123 1.00 0.00 N +ATOM 903 CA HIS A 55 2.098 8.199 10.300 1.00 0.00 C +ATOM 904 C HIS A 55 2.668 8.620 11.643 1.00 0.00 C +ATOM 905 O HIS A 55 2.372 9.663 12.132 1.00 0.00 O +ATOM 906 CB HIS A 55 2.963 8.692 9.149 1.00 0.00 C +ATOM 907 CG HIS A 55 2.541 8.153 7.834 1.00 0.00 C +ATOM 908 ND1 HIS A 55 1.594 8.779 7.040 1.00 0.00 N +ATOM 909 CD2 HIS A 55 2.892 7.019 7.187 1.00 0.00 C +ATOM 910 CE1 HIS A 55 1.408 8.067 5.949 1.00 0.00 C +ATOM 911 NE2 HIS A 55 2.173 6.989 6.013 1.00 0.00 N +ATOM 912 H HIS A 55 0.519 9.599 10.238 1.00 0.00 H +ATOM 913 HA HIS A 55 2.139 7.110 10.315 1.00 0.00 H +ATOM 914 1HB HIS A 55 2.926 9.781 9.107 1.00 0.00 H +ATOM 915 2HB HIS A 55 4.000 8.407 9.325 1.00 0.00 H +ATOM 916 HD2 HIS A 55 3.608 6.270 7.526 1.00 0.00 H +ATOM 917 HE1 HIS A 55 0.737 8.322 5.129 1.00 0.00 H +ATOM 918 HE2 HIS A 55 2.224 6.259 5.317 1.00 0.00 H +ATOM 919 N PHE A 56 3.542 7.778 12.200 1.00 0.00 N +ATOM 920 CA PHE A 56 4.119 7.993 13.534 1.00 0.00 C +ATOM 921 C PHE A 56 5.496 8.531 13.540 1.00 0.00 C +ATOM 922 O PHE A 56 5.979 8.913 14.568 1.00 0.00 O +ATOM 923 CB PHE A 56 4.073 6.683 14.317 1.00 0.00 C +ATOM 924 CG PHE A 56 2.704 6.090 14.347 1.00 0.00 C +ATOM 925 CD1 PHE A 56 1.649 6.800 14.955 1.00 0.00 C +ATOM 926 CD2 PHE A 56 2.442 4.853 13.784 1.00 0.00 C +ATOM 927 CE1 PHE A 56 0.351 6.285 14.966 1.00 0.00 C +ATOM 928 CE2 PHE A 56 1.143 4.319 13.815 1.00 0.00 C +ATOM 929 CZ PHE A 56 0.094 5.054 14.376 1.00 0.00 C +ATOM 930 H PHE A 56 3.812 6.960 11.673 1.00 0.00 H +ATOM 931 HA PHE A 56 3.522 8.744 14.053 1.00 0.00 H +ATOM 932 1HB PHE A 56 4.760 5.967 13.869 1.00 0.00 H +ATOM 933 2HB PHE A 56 4.404 6.859 15.340 1.00 0.00 H +ATOM 934 HD1 PHE A 56 1.855 7.765 15.420 1.00 0.00 H +ATOM 935 HD2 PHE A 56 3.258 4.276 13.346 1.00 0.00 H +ATOM 936 HE1 PHE A 56 -0.455 6.850 15.436 1.00 0.00 H +ATOM 937 HE2 PHE A 56 0.954 3.328 13.401 1.00 0.00 H +ATOM 938 HZ PHE A 56 -0.922 4.661 14.352 1.00 0.00 H +ATOM 939 N SER A 57 6.130 8.577 12.377 1.00 0.00 N +ATOM 940 CA SER A 57 7.450 9.092 12.237 1.00 0.00 C +ATOM 941 C SER A 57 7.629 9.762 10.855 1.00 0.00 C +ATOM 942 O SER A 57 7.036 9.361 9.859 1.00 0.00 O +ATOM 943 CB SER A 57 8.495 7.974 12.437 1.00 0.00 C +ATOM 944 OG SER A 57 8.674 7.232 11.239 1.00 0.00 O +ATOM 945 H SER A 57 5.649 8.230 11.559 1.00 0.00 H +ATOM 946 HA SER A 57 7.607 9.854 13.001 1.00 0.00 H +ATOM 947 1HB SER A 57 9.444 8.414 12.744 1.00 0.00 H +ATOM 948 2HB SER A 57 8.169 7.311 13.237 1.00 0.00 H +ATOM 949 HG SER A 57 8.083 7.626 10.593 1.00 0.00 H +ATOM 950 N LEU A 58 8.488 10.781 10.855 1.00 0.00 N +ATOM 951 CA LEU A 58 8.909 11.546 9.726 1.00 0.00 C +ATOM 952 C LEU A 58 9.554 10.675 8.655 1.00 0.00 C +ATOM 953 O LEU A 58 9.298 10.807 7.450 1.00 0.00 O +ATOM 954 CB LEU A 58 9.937 12.561 10.252 1.00 0.00 C +ATOM 955 CG LEU A 58 10.616 13.402 9.211 1.00 0.00 C +ATOM 956 CD1 LEU A 58 9.518 14.044 8.369 1.00 0.00 C +ATOM 957 CD2 LEU A 58 11.512 14.444 9.893 1.00 0.00 C +ATOM 958 H LEU A 58 8.858 11.007 11.768 1.00 0.00 H +ATOM 959 HA LEU A 58 8.041 12.058 9.312 1.00 0.00 H +ATOM 960 1HB LEU A 58 9.436 13.234 10.946 1.00 0.00 H +ATOM 961 2HB LEU A 58 10.711 12.021 10.797 1.00 0.00 H +ATOM 962 HG LEU A 58 11.225 12.766 8.569 1.00 0.00 H +ATOM 963 1HD1 LEU A 58 9.969 14.667 7.597 1.00 0.00 H +ATOM 964 2HD1 LEU A 58 8.917 13.265 7.901 1.00 0.00 H +ATOM 965 3HD1 LEU A 58 8.884 14.659 9.006 1.00 0.00 H +ATOM 966 1HD2 LEU A 58 12.004 15.053 9.135 1.00 0.00 H +ATOM 967 2HD2 LEU A 58 10.904 15.083 10.534 1.00 0.00 H +ATOM 968 3HD2 LEU A 58 12.265 13.936 10.497 1.00 0.00 H +ATOM 969 N MET A 59 10.419 9.768 9.105 1.00 0.00 N +ATOM 970 CA MET A 59 11.136 8.885 8.192 1.00 0.00 C +ATOM 971 C MET A 59 10.119 8.039 7.381 1.00 0.00 C +ATOM 972 O MET A 59 10.223 7.981 6.157 1.00 0.00 O +ATOM 973 CB MET A 59 12.197 8.124 9.000 1.00 0.00 C +ATOM 974 CG MET A 59 12.530 6.728 8.541 1.00 0.00 C +ATOM 975 SD MET A 59 14.314 6.470 8.632 1.00 0.00 S +ATOM 976 CE MET A 59 14.282 4.787 8.025 1.00 0.00 C +ATOM 977 H MET A 59 10.584 9.689 10.098 1.00 0.00 H +ATOM 978 HA MET A 59 11.620 9.495 7.430 1.00 0.00 H +ATOM 979 1HB MET A 59 13.131 8.684 8.992 1.00 0.00 H +ATOM 980 2HB MET A 59 11.873 8.040 10.038 1.00 0.00 H +ATOM 981 1HG MET A 59 12.016 6.005 9.173 1.00 0.00 H +ATOM 982 2HG MET A 59 12.186 6.590 7.517 1.00 0.00 H +ATOM 983 1HE MET A 59 15.298 4.394 7.988 1.00 0.00 H +ATOM 984 2HE MET A 59 13.677 4.171 8.692 1.00 0.00 H +ATOM 985 3HE MET A 59 13.850 4.769 7.024 1.00 0.00 H +ATOM 986 N HIS A 60 9.085 7.508 8.057 1.00 0.00 N +ATOM 987 CA HIS A 60 8.094 6.646 7.429 1.00 0.00 C +ATOM 988 C HIS A 60 7.108 7.372 6.500 1.00 0.00 C +ATOM 989 O HIS A 60 6.807 6.860 5.407 1.00 0.00 O +ATOM 990 CB HIS A 60 7.398 5.817 8.488 1.00 0.00 C +ATOM 991 CG HIS A 60 8.277 4.741 9.044 1.00 0.00 C +ATOM 992 ND1 HIS A 60 7.844 3.794 9.948 1.00 0.00 N +ATOM 993 CD2 HIS A 60 9.572 4.447 8.784 1.00 0.00 C +ATOM 994 CE1 HIS A 60 8.846 2.980 10.233 1.00 0.00 C +ATOM 995 NE2 HIS A 60 9.910 3.359 9.543 1.00 0.00 N +ATOM 996 H HIS A 60 9.000 7.720 9.041 1.00 0.00 H +ATOM 997 HA HIS A 60 8.588 5.972 6.730 1.00 0.00 H +ATOM 998 1HB HIS A 60 7.075 6.465 9.304 1.00 0.00 H +ATOM 999 2HB HIS A 60 6.506 5.358 8.063 1.00 0.00 H +ATOM 1000 HD2 HIS A 60 10.229 4.993 8.106 1.00 0.00 H +ATOM 1001 HE1 HIS A 60 8.806 2.137 10.922 1.00 0.00 H +ATOM 1002 HE2 HIS A 60 10.819 2.920 9.570 1.00 0.00 H +ATOM 1003 N ILE A 61 6.662 8.574 6.886 1.00 0.00 N +ATOM 1004 CA ILE A 61 5.849 9.351 5.986 1.00 0.00 C +ATOM 1005 C ILE A 61 6.610 9.663 4.707 1.00 0.00 C +ATOM 1006 O ILE A 61 6.082 9.534 3.613 1.00 0.00 O +ATOM 1007 CB ILE A 61 5.143 10.538 6.636 1.00 0.00 C +ATOM 1008 CG1 ILE A 61 4.063 11.076 5.668 1.00 0.00 C +ATOM 1009 CG2 ILE A 61 6.097 11.628 7.040 1.00 0.00 C +ATOM 1010 CD1 ILE A 61 3.223 12.207 6.229 1.00 0.00 C +ATOM 1011 H ILE A 61 6.883 8.949 7.797 1.00 0.00 H +ATOM 1012 HA ILE A 61 5.070 8.707 5.581 1.00 0.00 H +ATOM 1013 HB ILE A 61 4.618 10.204 7.530 1.00 0.00 H +ATOM 1014 1HG1 ILE A 61 4.538 11.433 4.755 1.00 0.00 H +ATOM 1015 2HG1 ILE A 61 3.388 10.267 5.389 1.00 0.00 H +ATOM 1016 1HG2 ILE A 61 5.541 12.447 7.496 1.00 0.00 H +ATOM 1017 2HG2 ILE A 61 6.816 11.234 7.757 1.00 0.00 H +ATOM 1018 3HG2 ILE A 61 6.626 11.994 6.160 1.00 0.00 H +ATOM 1019 1HD1 ILE A 61 2.492 12.522 5.484 1.00 0.00 H +ATOM 1020 2HD1 ILE A 61 2.704 11.865 7.125 1.00 0.00 H +ATOM 1021 3HD1 ILE A 61 3.868 13.048 6.482 1.00 0.00 H +ATOM 1022 N LEU A 62 7.881 10.006 4.833 1.00 0.00 N +ATOM 1023 CA LEU A 62 8.691 10.397 3.681 1.00 0.00 C +ATOM 1024 C LEU A 62 8.924 9.242 2.746 1.00 0.00 C +ATOM 1025 O LEU A 62 8.695 9.359 1.562 1.00 0.00 O +ATOM 1026 CB LEU A 62 10.006 11.035 4.108 1.00 0.00 C +ATOM 1027 CG LEU A 62 9.876 12.480 4.639 1.00 0.00 C +ATOM 1028 CD1 LEU A 62 11.126 12.905 5.422 1.00 0.00 C +ATOM 1029 CD2 LEU A 62 9.618 13.462 3.503 1.00 0.00 C +ATOM 1030 H LEU A 62 8.303 9.996 5.750 1.00 0.00 H +ATOM 1031 HA LEU A 62 8.133 11.131 3.100 1.00 0.00 H +ATOM 1032 1HB LEU A 62 10.452 10.422 4.890 1.00 0.00 H +ATOM 1033 2HB LEU A 62 10.682 11.044 3.252 1.00 0.00 H +ATOM 1034 HG LEU A 62 9.046 12.536 5.343 1.00 0.00 H +ATOM 1035 1HD1 LEU A 62 11.001 13.927 5.782 1.00 0.00 H +ATOM 1036 2HD1 LEU A 62 11.268 12.238 6.272 1.00 0.00 H +ATOM 1037 3HD1 LEU A 62 11.998 12.855 4.771 1.00 0.00 H +ATOM 1038 1HD2 LEU A 62 9.530 14.471 3.907 1.00 0.00 H +ATOM 1039 2HD2 LEU A 62 10.446 13.425 2.795 1.00 0.00 H +ATOM 1040 3HD2 LEU A 62 8.693 13.193 2.993 1.00 0.00 H +ATOM 1041 N PHE A 63 9.340 8.095 3.281 1.00 0.00 N +ATOM 1042 CA PHE A 63 9.540 6.915 2.424 1.00 0.00 C +ATOM 1043 C PHE A 63 8.227 6.415 1.818 1.00 0.00 C +ATOM 1044 O PHE A 63 8.208 6.121 0.633 1.00 0.00 O +ATOM 1045 CB PHE A 63 10.322 5.801 3.128 1.00 0.00 C +ATOM 1046 CG PHE A 63 11.795 6.072 3.123 1.00 0.00 C +ATOM 1047 CD1 PHE A 63 12.510 6.001 1.916 1.00 0.00 C +ATOM 1048 CD2 PHE A 63 12.455 6.526 4.251 1.00 0.00 C +ATOM 1049 CE1 PHE A 63 13.857 6.319 1.856 1.00 0.00 C +ATOM 1050 CE2 PHE A 63 13.813 6.841 4.182 1.00 0.00 C +ATOM 1051 CZ PHE A 63 14.501 6.741 2.994 1.00 0.00 C +ATOM 1052 H PHE A 63 9.521 8.020 4.272 1.00 0.00 H +ATOM 1053 HA PHE A 63 10.114 7.217 1.547 1.00 0.00 H +ATOM 1054 1HB PHE A 63 9.976 5.708 4.157 1.00 0.00 H +ATOM 1055 2HB PHE A 63 10.129 4.851 2.631 1.00 0.00 H +ATOM 1056 HD1 PHE A 63 11.993 5.689 1.009 1.00 0.00 H +ATOM 1057 HD2 PHE A 63 11.923 6.610 5.199 1.00 0.00 H +ATOM 1058 HE1 PHE A 63 14.394 6.235 0.912 1.00 0.00 H +ATOM 1059 HE2 PHE A 63 14.330 7.170 5.084 1.00 0.00 H +ATOM 1060 HZ PHE A 63 15.560 6.996 2.959 1.00 0.00 H +ATOM 1061 N ASN A 64 7.165 6.305 2.631 1.00 0.00 N +ATOM 1062 CA ASN A 64 5.841 5.827 2.188 1.00 0.00 C +ATOM 1063 C ASN A 64 5.387 6.754 1.024 1.00 0.00 C +ATOM 1064 O ASN A 64 4.959 6.304 -0.027 1.00 0.00 O +ATOM 1065 CB ASN A 64 4.776 5.766 3.335 1.00 0.00 C +ATOM 1066 CG ASN A 64 5.036 4.662 4.372 1.00 0.00 C +ATOM 1067 OD1 ASN A 64 4.414 4.538 5.512 1.00 0.00 O +ATOM 1068 ND2 ASN A 64 5.981 3.843 3.992 1.00 0.00 N +ATOM 1069 H ASN A 64 7.295 6.569 3.598 1.00 0.00 H +ATOM 1070 HA ASN A 64 5.952 4.813 1.800 1.00 0.00 H +ATOM 1071 1HB ASN A 64 4.750 6.722 3.859 1.00 0.00 H +ATOM 1072 2HB ASN A 64 3.788 5.601 2.906 1.00 0.00 H +ATOM 1073 1HD2 ASN A 64 6.246 3.078 4.580 1.00 0.00 H +ATOM 1074 2HD2 ASN A 64 6.439 3.981 3.114 1.00 0.00 H +ATOM 1075 N LEU A 65 5.528 8.065 1.189 1.00 0.00 N +ATOM 1076 CA LEU A 65 5.031 8.970 0.175 1.00 0.00 C +ATOM 1077 C LEU A 65 5.876 8.980 -1.060 1.00 0.00 C +ATOM 1078 O LEU A 65 5.352 9.267 -2.139 1.00 0.00 O +ATOM 1079 CB LEU A 65 4.737 10.353 0.711 1.00 0.00 C +ATOM 1080 CG LEU A 65 3.526 10.527 1.620 1.00 0.00 C +ATOM 1081 CD1 LEU A 65 3.254 11.976 1.945 1.00 0.00 C +ATOM 1082 CD2 LEU A 65 2.236 9.992 1.073 1.00 0.00 C +ATOM 1083 H LEU A 65 5.976 8.446 2.011 1.00 0.00 H +ATOM 1084 HA LEU A 65 4.098 8.568 -0.219 1.00 0.00 H +ATOM 1085 1HB LEU A 65 5.601 10.697 1.278 1.00 0.00 H +ATOM 1086 2HB LEU A 65 4.590 11.028 -0.132 1.00 0.00 H +ATOM 1087 HG LEU A 65 3.701 10.009 2.563 1.00 0.00 H +ATOM 1088 1HD1 LEU A 65 2.382 12.046 2.595 1.00 0.00 H +ATOM 1089 2HD1 LEU A 65 4.119 12.403 2.452 1.00 0.00 H +ATOM 1090 3HD1 LEU A 65 3.065 12.526 1.024 1.00 0.00 H +ATOM 1091 1HD2 LEU A 65 1.436 10.163 1.795 1.00 0.00 H +ATOM 1092 2HD2 LEU A 65 1.997 10.501 0.139 1.00 0.00 H +ATOM 1093 3HD2 LEU A 65 2.335 8.922 0.888 1.00 0.00 H +ATOM 1094 N LEU A 66 7.176 8.695 -0.913 1.00 0.00 N +ATOM 1095 CA LEU A 66 8.099 8.651 -2.032 1.00 0.00 C +ATOM 1096 C LEU A 66 7.682 7.514 -2.965 1.00 0.00 C +ATOM 1097 O LEU A 66 7.540 7.699 -4.187 1.00 0.00 O +ATOM 1098 CB LEU A 66 9.539 8.411 -1.525 1.00 0.00 C +ATOM 1099 CG LEU A 66 10.587 8.319 -2.661 1.00 0.00 C +ATOM 1100 CD1 LEU A 66 10.745 9.659 -3.393 1.00 0.00 C +ATOM 1101 CD2 LEU A 66 11.937 7.756 -2.175 1.00 0.00 C +ATOM 1102 H LEU A 66 7.520 8.503 0.017 1.00 0.00 H +ATOM 1103 HA LEU A 66 8.063 9.610 -2.548 1.00 0.00 H +ATOM 1104 1HB LEU A 66 9.813 9.227 -0.858 1.00 0.00 H +ATOM 1105 2HB LEU A 66 9.557 7.482 -0.954 1.00 0.00 H +ATOM 1106 HG LEU A 66 10.213 7.664 -3.449 1.00 0.00 H +ATOM 1107 1HD1 LEU A 66 11.488 9.556 -4.184 1.00 0.00 H +ATOM 1108 2HD1 LEU A 66 9.790 9.950 -3.830 1.00 0.00 H +ATOM 1109 3HD1 LEU A 66 11.070 10.423 -2.687 1.00 0.00 H +ATOM 1110 1HD2 LEU A 66 12.635 7.712 -3.012 1.00 0.00 H +ATOM 1111 2HD2 LEU A 66 12.343 8.403 -1.397 1.00 0.00 H +ATOM 1112 3HD2 LEU A 66 11.789 6.753 -1.773 1.00 0.00 H +ATOM 1113 N TRP A 67 7.507 6.335 -2.371 1.00 0.00 N +ATOM 1114 CA TRP A 67 7.064 5.126 -3.051 1.00 0.00 C +ATOM 1115 C TRP A 67 5.669 5.251 -3.644 1.00 0.00 C +ATOM 1116 O TRP A 67 5.460 4.849 -4.765 1.00 0.00 O +ATOM 1117 CB TRP A 67 7.060 3.939 -2.075 1.00 0.00 C +ATOM 1118 CG TRP A 67 8.401 3.304 -1.844 1.00 0.00 C +ATOM 1119 CD1 TRP A 67 9.056 3.169 -0.643 1.00 0.00 C +ATOM 1120 CD2 TRP A 67 9.213 2.646 -2.818 1.00 0.00 C +ATOM 1121 NE1 TRP A 67 10.218 2.480 -0.809 1.00 0.00 N +ATOM 1122 CE2 TRP A 67 10.364 2.159 -2.134 1.00 0.00 C +ATOM 1123 CE3 TRP A 67 9.070 2.401 -4.187 1.00 0.00 C +ATOM 1124 CZ2 TRP A 67 11.378 1.447 -2.777 1.00 0.00 C +ATOM 1125 CZ3 TRP A 67 10.065 1.722 -4.840 1.00 0.00 C +ATOM 1126 CH2 TRP A 67 11.227 1.240 -4.124 1.00 0.00 C +ATOM 1127 H TRP A 67 7.701 6.299 -1.381 1.00 0.00 H +ATOM 1128 HA TRP A 67 7.759 4.911 -3.862 1.00 0.00 H +ATOM 1129 1HB TRP A 67 6.680 4.265 -1.107 1.00 0.00 H +ATOM 1130 2HB TRP A 67 6.390 3.164 -2.446 1.00 0.00 H +ATOM 1131 HD1 TRP A 67 8.699 3.558 0.309 1.00 0.00 H +ATOM 1132 HE1 TRP A 67 10.871 2.241 -0.076 1.00 0.00 H +ATOM 1133 HE3 TRP A 67 8.184 2.742 -4.723 1.00 0.00 H +ATOM 1134 HZ2 TRP A 67 12.249 1.069 -2.242 1.00 0.00 H +ATOM 1135 HZ3 TRP A 67 9.961 1.552 -5.913 1.00 0.00 H +ATOM 1136 HH2 TRP A 67 12.000 0.701 -4.673 1.00 0.00 H +ATOM 1137 N TRP A 68 4.720 5.775 -2.849 1.00 0.00 N +ATOM 1138 CA TRP A 68 3.364 6.110 -3.311 1.00 0.00 C +ATOM 1139 C TRP A 68 3.424 7.060 -4.520 1.00 0.00 C +ATOM 1140 O TRP A 68 2.782 6.803 -5.552 1.00 0.00 O +ATOM 1141 CB TRP A 68 2.521 6.732 -2.180 1.00 0.00 C +ATOM 1142 CG TRP A 68 1.275 7.416 -2.701 1.00 0.00 C +ATOM 1143 CD1 TRP A 68 1.139 8.743 -3.027 1.00 0.00 C +ATOM 1144 CD2 TRP A 68 0.034 6.808 -2.981 1.00 0.00 C +ATOM 1145 NE1 TRP A 68 -0.111 8.986 -3.487 1.00 0.00 N +ATOM 1146 CE2 TRP A 68 -0.821 7.824 -3.499 1.00 0.00 C +ATOM 1147 CE3 TRP A 68 -0.449 5.502 -2.863 1.00 0.00 C +ATOM 1148 CZ2 TRP A 68 -2.159 7.581 -3.890 1.00 0.00 C +ATOM 1149 CZ3 TRP A 68 -1.800 5.242 -3.239 1.00 0.00 C +ATOM 1150 CH2 TRP A 68 -2.640 6.298 -3.731 1.00 0.00 C +ATOM 1151 H TRP A 68 4.966 5.943 -1.884 1.00 0.00 H +ATOM 1152 HA TRP A 68 2.873 5.193 -3.636 1.00 0.00 H +ATOM 1153 1HB TRP A 68 2.228 5.955 -1.474 1.00 0.00 H +ATOM 1154 2HB TRP A 68 3.122 7.459 -1.636 1.00 0.00 H +ATOM 1155 HD1 TRP A 68 1.922 9.492 -2.928 1.00 0.00 H +ATOM 1156 HE1 TRP A 68 -0.466 9.886 -3.778 1.00 0.00 H +ATOM 1157 HE3 TRP A 68 0.190 4.700 -2.495 1.00 0.00 H +ATOM 1158 HZ2 TRP A 68 -2.793 8.365 -4.304 1.00 0.00 H +ATOM 1159 HZ3 TRP A 68 -2.181 4.225 -3.144 1.00 0.00 H +ATOM 1160 HH2 TRP A 68 -3.678 6.081 -3.983 1.00 0.00 H +ATOM 1161 N TRP A 69 4.230 8.124 -4.419 1.00 0.00 N +ATOM 1162 CA TRP A 69 4.337 9.066 -5.507 1.00 0.00 C +ATOM 1163 C TRP A 69 4.861 8.380 -6.792 1.00 0.00 C +ATOM 1164 O TRP A 69 4.351 8.616 -7.887 1.00 0.00 O +ATOM 1165 CB TRP A 69 5.235 10.258 -5.095 1.00 0.00 C +ATOM 1166 CG TRP A 69 5.481 11.368 -6.147 1.00 0.00 C +ATOM 1167 CD1 TRP A 69 4.556 11.972 -6.939 1.00 0.00 C +ATOM 1168 CD2 TRP A 69 6.727 11.978 -6.467 1.00 0.00 C +ATOM 1169 NE1 TRP A 69 5.144 12.918 -7.738 1.00 0.00 N +ATOM 1170 CE2 TRP A 69 6.478 12.944 -7.475 1.00 0.00 C +ATOM 1171 CE3 TRP A 69 8.032 11.845 -5.968 1.00 0.00 C +ATOM 1172 CZ2 TRP A 69 7.483 13.764 -8.004 1.00 0.00 C +ATOM 1173 CZ3 TRP A 69 9.048 12.671 -6.502 1.00 0.00 C +ATOM 1174 CH2 TRP A 69 8.757 13.612 -7.515 1.00 0.00 C +ATOM 1175 H TRP A 69 4.771 8.277 -3.580 1.00 0.00 H +ATOM 1176 HA TRP A 69 3.341 9.441 -5.739 1.00 0.00 H +ATOM 1177 1HB TRP A 69 4.804 10.755 -4.226 1.00 0.00 H +ATOM 1178 2HB TRP A 69 6.219 9.890 -4.808 1.00 0.00 H +ATOM 1179 HD1 TRP A 69 3.493 11.740 -6.944 1.00 0.00 H +ATOM 1180 HE1 TRP A 69 4.666 13.500 -8.411 1.00 0.00 H +ATOM 1181 HE3 TRP A 69 8.258 11.123 -5.184 1.00 0.00 H +ATOM 1182 HZ2 TRP A 69 7.279 14.505 -8.778 1.00 0.00 H +ATOM 1183 HZ3 TRP A 69 10.061 12.564 -6.115 1.00 0.00 H +ATOM 1184 HH2 TRP A 69 9.562 14.228 -7.916 1.00 0.00 H +ATOM 1185 N TYR A 70 5.898 7.555 -6.640 1.00 0.00 N +ATOM 1186 CA TYR A 70 6.473 6.855 -7.785 1.00 0.00 C +ATOM 1187 C TYR A 70 5.581 5.747 -8.369 1.00 0.00 C +ATOM 1188 O TYR A 70 5.333 5.707 -9.567 1.00 0.00 O +ATOM 1189 CB TYR A 70 7.855 6.275 -7.439 1.00 0.00 C +ATOM 1190 CG TYR A 70 8.629 5.780 -8.636 1.00 0.00 C +ATOM 1191 CD1 TYR A 70 9.215 6.663 -9.539 1.00 0.00 C +ATOM 1192 CD2 TYR A 70 8.731 4.425 -8.894 1.00 0.00 C +ATOM 1193 CE1 TYR A 70 9.911 6.200 -10.660 1.00 0.00 C +ATOM 1194 CE2 TYR A 70 9.401 3.948 -10.015 1.00 0.00 C +ATOM 1195 CZ TYR A 70 9.995 4.832 -10.890 1.00 0.00 C +ATOM 1196 OH TYR A 70 10.688 4.307 -11.969 1.00 0.00 O +ATOM 1197 H TYR A 70 6.295 7.408 -5.723 1.00 0.00 H +ATOM 1198 HA TYR A 70 6.593 7.567 -8.602 1.00 0.00 H +ATOM 1199 1HB TYR A 70 8.455 7.037 -6.939 1.00 0.00 H +ATOM 1200 2HB TYR A 70 7.737 5.444 -6.744 1.00 0.00 H +ATOM 1201 HD1 TYR A 70 9.137 7.739 -9.379 1.00 0.00 H +ATOM 1202 HD2 TYR A 70 8.280 3.705 -8.211 1.00 0.00 H +ATOM 1203 HE1 TYR A 70 10.362 6.909 -11.353 1.00 0.00 H +ATOM 1204 HE2 TYR A 70 9.456 2.875 -10.202 1.00 0.00 H +ATOM 1205 HH TYR A 70 10.645 3.349 -11.939 1.00 0.00 H +ATOM 1206 N LEU A 71 5.130 4.819 -7.529 1.00 0.00 N +ATOM 1207 CA LEU A 71 4.427 3.664 -8.031 1.00 0.00 C +ATOM 1208 C LEU A 71 2.975 4.022 -8.242 1.00 0.00 C +ATOM 1209 O LEU A 71 2.424 3.776 -9.320 1.00 0.00 O +ATOM 1210 CB LEU A 71 4.518 2.497 -7.073 1.00 0.00 C +ATOM 1211 CG LEU A 71 5.892 1.943 -6.730 1.00 0.00 C +ATOM 1212 CD1 LEU A 71 5.723 0.836 -5.745 1.00 0.00 C +ATOM 1213 CD2 LEU A 71 6.572 1.371 -7.958 1.00 0.00 C +ATOM 1214 H LEU A 71 5.275 4.913 -6.534 1.00 0.00 H +ATOM 1215 HA LEU A 71 4.883 3.364 -8.974 1.00 0.00 H +ATOM 1216 1HB LEU A 71 4.064 2.788 -6.127 1.00 0.00 H +ATOM 1217 2HB LEU A 71 3.949 1.664 -7.485 1.00 0.00 H +ATOM 1218 HG LEU A 71 6.516 2.740 -6.326 1.00 0.00 H +ATOM 1219 1HD1 LEU A 71 6.700 0.426 -5.487 1.00 0.00 H +ATOM 1220 2HD1 LEU A 71 5.243 1.220 -4.845 1.00 0.00 H +ATOM 1221 3HD1 LEU A 71 5.105 0.052 -6.181 1.00 0.00 H +ATOM 1222 1HD2 LEU A 71 7.553 0.982 -7.682 1.00 0.00 H +ATOM 1223 2HD2 LEU A 71 5.964 0.564 -8.368 1.00 0.00 H +ATOM 1224 3HD2 LEU A 71 6.690 2.154 -8.707 1.00 0.00 H +ATOM 1225 N GLY A 72 2.373 4.629 -7.211 1.00 0.00 N +ATOM 1226 CA GLY A 72 1.069 5.279 -7.319 1.00 0.00 C +ATOM 1227 C GLY A 72 0.968 6.082 -8.591 1.00 0.00 C +ATOM 1228 O GLY A 72 0.096 5.859 -9.364 1.00 0.00 O +ATOM 1229 H GLY A 72 2.851 4.631 -6.321 1.00 0.00 H +ATOM 1230 1HA GLY A 72 0.283 4.524 -7.297 1.00 0.00 H +ATOM 1231 2HA GLY A 72 0.914 5.929 -6.459 1.00 0.00 H +ATOM 1232 N GLY A 73 1.899 7.007 -8.815 1.00 0.00 N +ATOM 1233 CA GLY A 73 1.838 7.916 -9.956 1.00 0.00 C +ATOM 1234 C GLY A 73 1.960 7.210 -11.308 1.00 0.00 C +ATOM 1235 O GLY A 73 1.306 7.569 -12.302 1.00 0.00 O +ATOM 1236 H GLY A 73 2.673 7.079 -8.169 1.00 0.00 H +ATOM 1237 1HA GLY A 73 0.895 8.463 -9.936 1.00 0.00 H +ATOM 1238 2HA GLY A 73 2.638 8.652 -9.878 1.00 0.00 H +ATOM 1239 N ALA A 74 2.803 6.180 -11.353 1.00 0.00 N +ATOM 1240 CA ALA A 74 2.926 5.352 -12.548 1.00 0.00 C +ATOM 1241 C ALA A 74 1.566 4.665 -12.842 1.00 0.00 C +ATOM 1242 O ALA A 74 1.028 4.767 -13.923 1.00 0.00 O +ATOM 1243 CB ALA A 74 4.036 4.315 -12.354 1.00 0.00 C +ATOM 1244 H ALA A 74 3.369 5.965 -10.545 1.00 0.00 H +ATOM 1245 HA ALA A 74 3.188 6.001 -13.384 1.00 0.00 H +ATOM 1246 1HB ALA A 74 4.121 3.701 -13.250 1.00 0.00 H +ATOM 1247 2HB ALA A 74 4.982 4.825 -12.171 1.00 0.00 H +ATOM 1248 3HB ALA A 74 3.795 3.681 -11.502 1.00 0.00 H +ATOM 1249 N VAL A 75 0.999 4.008 -11.835 1.00 0.00 N +ATOM 1250 CA VAL A 75 -0.257 3.331 -12.027 1.00 0.00 C +ATOM 1251 C VAL A 75 -1.330 4.262 -12.587 1.00 0.00 C +ATOM 1252 O VAL A 75 -1.959 3.937 -13.556 1.00 0.00 O +ATOM 1253 CB VAL A 75 -0.731 2.615 -10.760 1.00 0.00 C +ATOM 1254 CG1 VAL A 75 -2.154 2.091 -10.937 1.00 0.00 C +ATOM 1255 CG2 VAL A 75 0.208 1.468 -10.459 1.00 0.00 C +ATOM 1256 H VAL A 75 1.442 3.975 -10.928 1.00 0.00 H +ATOM 1257 HA VAL A 75 -0.129 2.578 -12.806 1.00 0.00 H +ATOM 1258 HB VAL A 75 -0.729 3.324 -9.932 1.00 0.00 H +ATOM 1259 1HG1 VAL A 75 -2.472 1.586 -10.024 1.00 0.00 H +ATOM 1260 2HG1 VAL A 75 -2.826 2.925 -11.142 1.00 0.00 H +ATOM 1261 3HG1 VAL A 75 -2.183 1.388 -11.769 1.00 0.00 H +ATOM 1262 1HG2 VAL A 75 -0.124 0.955 -9.557 1.00 0.00 H +ATOM 1263 2HG2 VAL A 75 0.208 0.769 -11.296 1.00 0.00 H +ATOM 1264 3HG2 VAL A 75 1.216 1.854 -10.307 1.00 0.00 H +ATOM 1265 N GLU A 76 -1.542 5.405 -11.952 1.00 0.00 N +ATOM 1266 CA GLU A 76 -2.534 6.385 -12.402 1.00 0.00 C +ATOM 1267 C GLU A 76 -2.280 6.826 -13.813 1.00 0.00 C +ATOM 1268 O GLU A 76 -3.212 6.875 -14.620 1.00 0.00 O +ATOM 1269 CB GLU A 76 -2.570 7.617 -11.488 1.00 0.00 C +ATOM 1270 CG GLU A 76 -3.625 8.684 -11.800 1.00 0.00 C +ATOM 1271 CD GLU A 76 -3.959 9.500 -10.562 1.00 0.00 C +ATOM 1272 OE1 GLU A 76 -3.100 9.679 -9.654 1.00 0.00 O +ATOM 1273 OE2 GLU A 76 -5.106 9.971 -10.473 1.00 0.00 O +ATOM 1274 H GLU A 76 -0.995 5.603 -11.126 1.00 0.00 H +ATOM 1275 HA GLU A 76 -3.519 5.917 -12.378 1.00 0.00 H +ATOM 1276 1HB GLU A 76 -2.744 7.302 -10.459 1.00 0.00 H +ATOM 1277 2HB GLU A 76 -1.603 8.120 -11.517 1.00 0.00 H +ATOM 1278 1HG GLU A 76 -3.243 9.340 -12.582 1.00 0.00 H +ATOM 1279 2HG GLU A 76 -4.520 8.194 -12.180 1.00 0.00 H +ATOM 1280 N LYS A 77 -1.024 7.149 -14.125 1.00 0.00 N +ATOM 1281 CA LYS A 77 -0.691 7.631 -15.450 1.00 0.00 C +ATOM 1282 C LYS A 77 -0.950 6.572 -16.521 1.00 0.00 C +ATOM 1283 O LYS A 77 -1.494 6.879 -17.552 1.00 0.00 O +ATOM 1284 CB LYS A 77 0.772 8.113 -15.524 1.00 0.00 C +ATOM 1285 CG LYS A 77 1.123 9.036 -16.697 1.00 0.00 C +ATOM 1286 CD LYS A 77 0.318 10.360 -16.756 1.00 0.00 C +ATOM 1287 CE LYS A 77 0.264 11.189 -15.448 1.00 0.00 C +ATOM 1288 NZ LYS A 77 -1.040 11.158 -14.674 1.00 0.00 N +ATOM 1289 H LYS A 77 -0.291 7.058 -13.436 1.00 0.00 H +ATOM 1290 HA LYS A 77 -1.339 8.477 -15.684 1.00 0.00 H +ATOM 1291 1HB LYS A 77 1.024 8.652 -14.611 1.00 0.00 H +ATOM 1292 2HB LYS A 77 1.436 7.251 -15.590 1.00 0.00 H +ATOM 1293 1HG LYS A 77 2.178 9.305 -16.644 1.00 0.00 H +ATOM 1294 2HG LYS A 77 0.946 8.513 -17.637 1.00 0.00 H +ATOM 1295 1HD LYS A 77 0.748 11.013 -17.518 1.00 0.00 H +ATOM 1296 2HD LYS A 77 -0.715 10.146 -17.028 1.00 0.00 H +ATOM 1297 1HE LYS A 77 1.034 10.838 -14.762 1.00 0.00 H +ATOM 1298 2HE LYS A 77 0.460 12.238 -15.672 1.00 0.00 H +ATOM 1299 1HZ LYS A 77 -0.956 11.732 -13.847 1.00 0.00 H +ATOM 1300 2HZ LYS A 77 -1.786 11.515 -15.256 1.00 0.00 H +ATOM 1301 3HZ LYS A 77 -1.250 10.208 -14.405 1.00 0.00 H +ATOM 1302 N ARG A 78 -0.548 5.325 -16.285 1.00 0.00 N +ATOM 1303 CA ARG A 78 -0.612 4.350 -17.369 1.00 0.00 C +ATOM 1304 C ARG A 78 -1.944 3.593 -17.429 1.00 0.00 C +ATOM 1305 O ARG A 78 -2.380 3.237 -18.512 1.00 0.00 O +ATOM 1306 CB ARG A 78 0.569 3.378 -17.365 1.00 0.00 C +ATOM 1307 CG ARG A 78 1.913 3.942 -16.907 1.00 0.00 C +ATOM 1308 CD ARG A 78 2.808 4.626 -17.945 1.00 0.00 C +ATOM 1309 NE ARG A 78 3.687 5.628 -17.278 1.00 0.00 N +ATOM 1310 CZ ARG A 78 4.726 5.370 -16.459 1.00 0.00 C +ATOM 1311 NH1 ARG A 78 5.102 4.121 -16.173 1.00 0.00 N +ATOM 1312 NH2 ARG A 78 5.405 6.379 -15.905 1.00 0.00 N +ATOM 1313 H ARG A 78 -0.201 5.034 -15.382 1.00 0.00 H +ATOM 1314 HA ARG A 78 -0.592 4.886 -18.318 1.00 0.00 H +ATOM 1315 1HB ARG A 78 0.344 2.535 -16.713 1.00 0.00 H +ATOM 1316 2HB ARG A 78 0.720 2.984 -18.370 1.00 0.00 H +ATOM 1317 1HG ARG A 78 1.748 4.698 -16.139 1.00 0.00 H +ATOM 1318 2HG ARG A 78 2.525 3.137 -16.498 1.00 0.00 H +ATOM 1319 1HD ARG A 78 3.428 3.879 -18.440 1.00 0.00 H +ATOM 1320 2HD ARG A 78 2.187 5.130 -18.685 1.00 0.00 H +ATOM 1321 HE ARG A 78 3.496 6.607 -17.447 1.00 0.00 H +ATOM 1322 1HH1 ARG A 78 4.603 3.339 -16.574 1.00 0.00 H +ATOM 1323 2HH1 ARG A 78 5.885 3.958 -15.556 1.00 0.00 H +ATOM 1324 1HH2 ARG A 78 5.139 7.334 -16.100 1.00 0.00 H +ATOM 1325 2HH2 ARG A 78 6.183 6.187 -15.292 1.00 0.00 H +ATOM 1326 N LEU A 79 -2.565 3.356 -16.265 1.00 0.00 N +ATOM 1327 CA LEU A 79 -3.772 2.528 -16.104 1.00 0.00 C +ATOM 1328 C LEU A 79 -5.005 3.327 -15.682 1.00 0.00 C +ATOM 1329 O LEU A 79 -6.127 2.831 -15.754 1.00 0.00 O +ATOM 1330 CB LEU A 79 -3.520 1.406 -15.068 1.00 0.00 C +ATOM 1331 CG LEU A 79 -2.238 0.614 -15.313 1.00 0.00 C +ATOM 1332 CD1 LEU A 79 -1.982 -0.564 -14.362 1.00 0.00 C +ATOM 1333 CD2 LEU A 79 -2.283 0.107 -16.752 1.00 0.00 C +ATOM 1334 H LEU A 79 -2.154 3.790 -15.452 1.00 0.00 H +ATOM 1335 HA LEU A 79 -4.009 2.071 -17.064 1.00 0.00 H +ATOM 1336 1HB LEU A 79 -3.468 1.854 -14.076 1.00 0.00 H +ATOM 1337 2HB LEU A 79 -4.364 0.717 -15.089 1.00 0.00 H +ATOM 1338 HG LEU A 79 -1.375 1.264 -15.164 1.00 0.00 H +ATOM 1339 1HD1 LEU A 79 -1.044 -1.051 -14.631 1.00 0.00 H +ATOM 1340 2HD1 LEU A 79 -1.918 -0.197 -13.338 1.00 0.00 H +ATOM 1341 3HD1 LEU A 79 -2.799 -1.280 -14.442 1.00 0.00 H +ATOM 1342 1HD2 LEU A 79 -1.380 -0.465 -16.966 1.00 0.00 H +ATOM 1343 2HD2 LEU A 79 -3.157 -0.531 -16.886 1.00 0.00 H +ATOM 1344 3HD2 LEU A 79 -2.346 0.955 -17.435 1.00 0.00 H +ATOM 1345 N GLY A 80 -4.815 4.560 -15.219 1.00 0.00 N +ATOM 1346 CA GLY A 80 -5.916 5.393 -14.797 1.00 0.00 C +ATOM 1347 C GLY A 80 -6.069 5.570 -13.281 1.00 0.00 C +ATOM 1348 O GLY A 80 -5.678 4.723 -12.480 1.00 0.00 O +ATOM 1349 H GLY A 80 -3.874 4.923 -15.162 1.00 0.00 H +ATOM 1350 1HA GLY A 80 -5.809 6.386 -15.232 1.00 0.00 H +ATOM 1351 2HA GLY A 80 -6.851 4.977 -15.172 1.00 0.00 H +ATOM 1352 N SER A 81 -6.731 6.676 -12.933 1.00 0.00 N +ATOM 1353 CA SER A 81 -7.166 7.017 -11.624 1.00 0.00 C +ATOM 1354 C SER A 81 -7.968 5.938 -10.916 1.00 0.00 C +ATOM 1355 O SER A 81 -7.704 5.631 -9.706 1.00 0.00 O +ATOM 1356 CB SER A 81 -7.983 8.309 -11.714 1.00 0.00 C +ATOM 1357 OG SER A 81 -7.108 9.389 -11.940 1.00 0.00 O +ATOM 1358 H SER A 81 -6.926 7.308 -13.697 1.00 0.00 H +ATOM 1359 HA SER A 81 -6.287 7.180 -10.999 1.00 0.00 H +ATOM 1360 1HB SER A 81 -8.708 8.224 -12.523 1.00 0.00 H +ATOM 1361 2HB SER A 81 -8.541 8.452 -10.789 1.00 0.00 H +ATOM 1362 HG SER A 81 -6.225 9.011 -11.976 1.00 0.00 H +ATOM 1363 N GLY A 82 -8.916 5.346 -11.644 1.00 0.00 N +ATOM 1364 CA GLY A 82 -9.774 4.307 -11.103 1.00 0.00 C +ATOM 1365 C GLY A 82 -9.017 3.094 -10.559 1.00 0.00 C +ATOM 1366 O GLY A 82 -9.344 2.541 -9.500 1.00 0.00 O +ATOM 1367 H GLY A 82 -9.039 5.634 -12.605 1.00 0.00 H +ATOM 1368 1HA GLY A 82 -10.380 4.719 -10.296 1.00 0.00 H +ATOM 1369 2HA GLY A 82 -10.460 3.962 -11.875 1.00 0.00 H +ATOM 1370 N LYS A 83 -8.012 2.659 -11.315 1.00 0.00 N +ATOM 1371 CA LYS A 83 -7.228 1.523 -10.985 1.00 0.00 C +ATOM 1372 C LYS A 83 -6.484 1.815 -9.666 1.00 0.00 C +ATOM 1373 O LYS A 83 -6.444 0.988 -8.771 1.00 0.00 O +ATOM 1374 CB LYS A 83 -6.236 1.280 -12.121 1.00 0.00 C +ATOM 1375 CG LYS A 83 -5.312 0.087 -11.864 1.00 0.00 C +ATOM 1376 CD LYS A 83 -6.051 -1.227 -11.772 1.00 0.00 C +ATOM 1377 CE LYS A 83 -6.484 -1.684 -13.161 1.00 0.00 C +ATOM 1378 NZ LYS A 83 -7.079 -3.019 -12.976 1.00 0.00 N +ATOM 1379 H LYS A 83 -7.806 3.170 -12.161 1.00 0.00 H +ATOM 1380 HA LYS A 83 -7.891 0.663 -10.884 1.00 0.00 H +ATOM 1381 1HB LYS A 83 -6.781 1.104 -13.049 1.00 0.00 H +ATOM 1382 2HB LYS A 83 -5.622 2.170 -12.266 1.00 0.00 H +ATOM 1383 1HG LYS A 83 -4.584 0.009 -12.672 1.00 0.00 H +ATOM 1384 2HG LYS A 83 -4.775 0.239 -10.928 1.00 0.00 H +ATOM 1385 1HD LYS A 83 -5.400 -1.980 -11.325 1.00 0.00 H +ATOM 1386 2HD LYS A 83 -6.928 -1.107 -11.137 1.00 0.00 H +ATOM 1387 1HE LYS A 83 -7.201 -0.973 -13.571 1.00 0.00 H +ATOM 1388 2HE LYS A 83 -5.618 -1.714 -13.822 1.00 0.00 H +ATOM 1389 1HZ LYS A 83 -7.387 -3.378 -13.869 1.00 0.00 H +ATOM 1390 2HZ LYS A 83 -6.389 -3.644 -12.583 1.00 0.00 H +ATOM 1391 3HZ LYS A 83 -7.868 -2.953 -12.350 1.00 0.00 H +ATOM 1392 N LEU A 84 -5.920 3.022 -9.546 1.00 0.00 N +ATOM 1393 CA LEU A 84 -5.195 3.407 -8.334 1.00 0.00 C +ATOM 1394 C LEU A 84 -6.144 3.441 -7.155 1.00 0.00 C +ATOM 1395 O LEU A 84 -5.798 2.966 -6.092 1.00 0.00 O +ATOM 1396 CB LEU A 84 -4.518 4.767 -8.469 1.00 0.00 C +ATOM 1397 CG LEU A 84 -3.633 5.178 -7.271 1.00 0.00 C +ATOM 1398 CD1 LEU A 84 -2.666 4.084 -6.881 1.00 0.00 C +ATOM 1399 CD2 LEU A 84 -2.867 6.467 -7.571 1.00 0.00 C +ATOM 1400 H LEU A 84 -5.993 3.684 -10.306 1.00 0.00 H +ATOM 1401 HA LEU A 84 -4.418 2.667 -8.146 1.00 0.00 H +ATOM 1402 1HB LEU A 84 -3.895 4.758 -9.362 1.00 0.00 H +ATOM 1403 2HB LEU A 84 -5.289 5.527 -8.597 1.00 0.00 H +ATOM 1404 HG LEU A 84 -4.260 5.341 -6.394 1.00 0.00 H +ATOM 1405 1HD1 LEU A 84 -2.063 4.416 -6.035 1.00 0.00 H +ATOM 1406 2HD1 LEU A 84 -3.222 3.190 -6.601 1.00 0.00 H +ATOM 1407 3HD1 LEU A 84 -2.014 3.858 -7.724 1.00 0.00 H +ATOM 1408 1HD2 LEU A 84 -2.253 6.734 -6.711 1.00 0.00 H +ATOM 1409 2HD2 LEU A 84 -2.228 6.316 -8.442 1.00 0.00 H +ATOM 1410 3HD2 LEU A 84 -3.574 7.271 -7.776 1.00 0.00 H +ATOM 1411 N ILE A 85 -7.346 4.006 -7.369 1.00 0.00 N +ATOM 1412 CA ILE A 85 -8.386 3.994 -6.336 1.00 0.00 C +ATOM 1413 C ILE A 85 -8.700 2.604 -5.766 1.00 0.00 C +ATOM 1414 O ILE A 85 -8.708 2.427 -4.542 1.00 0.00 O +ATOM 1415 CB ILE A 85 -9.664 4.685 -6.826 1.00 0.00 C +ATOM 1416 CG1 ILE A 85 -9.420 6.201 -6.885 1.00 0.00 C +ATOM 1417 CG2 ILE A 85 -10.873 4.386 -5.911 1.00 0.00 C +ATOM 1418 CD1 ILE A 85 -10.451 6.950 -7.716 1.00 0.00 C +ATOM 1419 H ILE A 85 -7.540 4.447 -8.257 1.00 0.00 H +ATOM 1420 HA ILE A 85 -8.016 4.537 -5.467 1.00 0.00 H +ATOM 1421 HB ILE A 85 -9.904 4.336 -7.830 1.00 0.00 H +ATOM 1422 1HG1 ILE A 85 -9.428 6.610 -5.876 1.00 0.00 H +ATOM 1423 2HG1 ILE A 85 -8.434 6.394 -7.308 1.00 0.00 H +ATOM 1424 1HG2 ILE A 85 -11.756 4.896 -6.295 1.00 0.00 H +ATOM 1425 2HG2 ILE A 85 -11.055 3.313 -5.888 1.00 0.00 H +ATOM 1426 3HG2 ILE A 85 -10.661 4.740 -4.901 1.00 0.00 H +ATOM 1427 1HD1 ILE A 85 -10.215 8.015 -7.714 1.00 0.00 H +ATOM 1428 2HD1 ILE A 85 -10.434 6.577 -8.740 1.00 0.00 H +ATOM 1429 3HD1 ILE A 85 -11.441 6.797 -7.290 1.00 0.00 H +ATOM 1430 N VAL A 86 -8.944 1.625 -6.642 1.00 0.00 N +ATOM 1431 CA VAL A 86 -9.350 0.301 -6.188 1.00 0.00 C +ATOM 1432 C VAL A 86 -8.211 -0.453 -5.526 1.00 0.00 C +ATOM 1433 O VAL A 86 -8.402 -1.062 -4.491 1.00 0.00 O +ATOM 1434 CB VAL A 86 -9.877 -0.556 -7.378 1.00 0.00 C +ATOM 1435 CG1 VAL A 86 -10.573 -1.827 -6.883 1.00 0.00 C +ATOM 1436 CG2 VAL A 86 -10.771 0.272 -8.291 1.00 0.00 C +ATOM 1437 H VAL A 86 -8.848 1.798 -7.632 1.00 0.00 H +ATOM 1438 HA VAL A 86 -10.156 0.415 -5.463 1.00 0.00 H +ATOM 1439 HB VAL A 86 -9.027 -0.924 -7.953 1.00 0.00 H +ATOM 1440 1HG1 VAL A 86 -10.928 -2.404 -7.737 1.00 0.00 H +ATOM 1441 2HG1 VAL A 86 -9.867 -2.428 -6.309 1.00 0.00 H +ATOM 1442 3HG1 VAL A 86 -11.418 -1.556 -6.252 1.00 0.00 H +ATOM 1443 1HG2 VAL A 86 -11.124 -0.348 -9.114 1.00 0.00 H +ATOM 1444 2HG2 VAL A 86 -11.624 0.645 -7.724 1.00 0.00 H +ATOM 1445 3HG2 VAL A 86 -10.204 1.114 -8.689 1.00 0.00 H +ATOM 1446 N ILE A 87 -7.013 -0.407 -6.121 1.00 0.00 N +ATOM 1447 CA ILE A 87 -5.834 -0.934 -5.428 1.00 0.00 C +ATOM 1448 C ILE A 87 -5.713 -0.384 -4.003 1.00 0.00 C +ATOM 1449 O ILE A 87 -5.573 -1.103 -3.012 1.00 0.00 O +ATOM 1450 CB ILE A 87 -4.572 -0.636 -6.197 1.00 0.00 C +ATOM 1451 CG1 ILE A 87 -4.566 -1.446 -7.467 1.00 0.00 C +ATOM 1452 CG2 ILE A 87 -3.337 -0.963 -5.349 1.00 0.00 C +ATOM 1453 CD1 ILE A 87 -3.393 -1.087 -8.373 1.00 0.00 C +ATOM 1454 H ILE A 87 -6.905 -0.014 -7.045 1.00 0.00 H +ATOM 1455 HA ILE A 87 -5.937 -2.015 -5.345 1.00 0.00 H +ATOM 1456 HB ILE A 87 -4.549 0.420 -6.463 1.00 0.00 H +ATOM 1457 1HG1 ILE A 87 -4.515 -2.507 -7.222 1.00 0.00 H +ATOM 1458 2HG1 ILE A 87 -5.497 -1.281 -8.009 1.00 0.00 H +ATOM 1459 1HG2 ILE A 87 -2.435 -0.743 -5.920 1.00 0.00 H +ATOM 1460 2HG2 ILE A 87 -3.348 -0.360 -4.442 1.00 0.00 H +ATOM 1461 3HG2 ILE A 87 -3.348 -2.020 -5.082 1.00 0.00 H +ATOM 1462 1HD1 ILE A 87 -3.431 -1.696 -9.277 1.00 0.00 H +ATOM 1463 2HD1 ILE A 87 -3.452 -0.032 -8.644 1.00 0.00 H +ATOM 1464 3HD1 ILE A 87 -2.457 -1.275 -7.849 1.00 0.00 H +ATOM 1465 N THR A 88 -5.846 0.924 -3.904 1.00 0.00 N +ATOM 1466 CA THR A 88 -5.744 1.616 -2.627 1.00 0.00 C +ATOM 1467 C THR A 88 -6.850 1.185 -1.662 1.00 0.00 C +ATOM 1468 O THR A 88 -6.545 0.917 -0.528 1.00 0.00 O +ATOM 1469 CB THR A 88 -5.782 3.135 -2.820 1.00 0.00 C +ATOM 1470 OG1 THR A 88 -4.713 3.534 -3.666 1.00 0.00 O +ATOM 1471 CG2 THR A 88 -5.661 3.870 -1.458 1.00 0.00 C +ATOM 1472 H THR A 88 -6.024 1.461 -4.741 1.00 0.00 H +ATOM 1473 HA THR A 88 -4.793 1.352 -2.166 1.00 0.00 H +ATOM 1474 HB THR A 88 -6.722 3.418 -3.293 1.00 0.00 H +ATOM 1475 HG1 THR A 88 -4.207 2.761 -3.927 1.00 0.00 H +ATOM 1476 1HG2 THR A 88 -5.691 4.947 -1.622 1.00 0.00 H +ATOM 1477 2HG2 THR A 88 -6.489 3.578 -0.812 1.00 0.00 H +ATOM 1478 3HG2 THR A 88 -4.719 3.602 -0.982 1.00 0.00 H +ATOM 1479 N LEU A 89 -8.125 1.154 -2.113 1.00 0.00 N +ATOM 1480 CA LEU A 89 -9.231 0.758 -1.219 1.00 0.00 C +ATOM 1481 C LEU A 89 -9.087 -0.650 -0.696 1.00 0.00 C +ATOM 1482 O LEU A 89 -9.369 -0.920 0.481 1.00 0.00 O +ATOM 1483 CB LEU A 89 -10.611 0.882 -1.868 1.00 0.00 C +ATOM 1484 CG LEU A 89 -11.021 2.316 -2.222 1.00 0.00 C +ATOM 1485 CD1 LEU A 89 -12.374 2.304 -2.905 1.00 0.00 C +ATOM 1486 CD2 LEU A 89 -11.036 3.253 -1.008 1.00 0.00 C +ATOM 1487 H LEU A 89 -8.331 1.404 -3.070 1.00 0.00 H +ATOM 1488 HA LEU A 89 -9.224 1.413 -0.348 1.00 0.00 H +ATOM 1489 1HB LEU A 89 -10.620 0.289 -2.781 1.00 0.00 H +ATOM 1490 2HB LEU A 89 -11.355 0.472 -1.186 1.00 0.00 H +ATOM 1491 HG LEU A 89 -10.318 2.727 -2.947 1.00 0.00 H +ATOM 1492 1HD1 LEU A 89 -12.665 3.324 -3.156 1.00 0.00 H +ATOM 1493 2HD1 LEU A 89 -12.316 1.709 -3.816 1.00 0.00 H +ATOM 1494 3HD1 LEU A 89 -13.116 1.871 -2.234 1.00 0.00 H +ATOM 1495 1HD2 LEU A 89 -11.333 4.254 -1.324 1.00 0.00 H +ATOM 1496 2HD2 LEU A 89 -11.746 2.880 -0.270 1.00 0.00 H +ATOM 1497 3HD2 LEU A 89 -10.041 3.293 -0.566 1.00 0.00 H +ATOM 1498 N ILE A 90 -8.712 -1.568 -1.591 1.00 0.00 N +ATOM 1499 CA ILE A 90 -8.711 -2.980 -1.307 1.00 0.00 C +ATOM 1500 C ILE A 90 -7.506 -3.245 -0.406 1.00 0.00 C +ATOM 1501 O ILE A 90 -7.598 -3.961 0.567 1.00 0.00 O +ATOM 1502 CB ILE A 90 -8.637 -3.829 -2.621 1.00 0.00 C +ATOM 1503 CG1 ILE A 90 -9.932 -3.722 -3.437 1.00 0.00 C +ATOM 1504 CG2 ILE A 90 -8.453 -5.299 -2.254 1.00 0.00 C +ATOM 1505 CD1 ILE A 90 -9.913 -4.522 -4.756 1.00 0.00 C +ATOM 1506 H ILE A 90 -8.419 -1.250 -2.504 1.00 0.00 H +ATOM 1507 HA ILE A 90 -9.638 -3.230 -0.794 1.00 0.00 H +ATOM 1508 HB ILE A 90 -7.793 -3.494 -3.224 1.00 0.00 H +ATOM 1509 1HG1 ILE A 90 -10.770 -4.077 -2.838 1.00 0.00 H +ATOM 1510 2HG1 ILE A 90 -10.125 -2.676 -3.679 1.00 0.00 H +ATOM 1511 1HG2 ILE A 90 -8.401 -5.897 -3.163 1.00 0.00 H +ATOM 1512 2HG2 ILE A 90 -7.530 -5.419 -1.687 1.00 0.00 H +ATOM 1513 3HG2 ILE A 90 -9.296 -5.631 -1.649 1.00 0.00 H +ATOM 1514 1HD1 ILE A 90 -10.864 -4.394 -5.273 1.00 0.00 H +ATOM 1515 2HD1 ILE A 90 -9.103 -4.159 -5.389 1.00 0.00 H +ATOM 1516 3HD1 ILE A 90 -9.758 -5.578 -4.538 1.00 0.00 H +ATOM 1517 N SER A 91 -6.362 -2.693 -0.775 1.00 0.00 N +ATOM 1518 CA SER A 91 -5.165 -2.884 0.046 1.00 0.00 C +ATOM 1519 C SER A 91 -5.336 -2.289 1.477 1.00 0.00 C +ATOM 1520 O SER A 91 -4.976 -2.943 2.453 1.00 0.00 O +ATOM 1521 CB SER A 91 -3.895 -2.372 -0.636 1.00 0.00 C +ATOM 1522 OG SER A 91 -3.915 -0.995 -0.810 1.00 0.00 O +ATOM 1523 H SER A 91 -6.297 -2.138 -1.616 1.00 0.00 H +ATOM 1524 HA SER A 91 -5.035 -3.952 0.225 1.00 0.00 H +ATOM 1525 1HB SER A 91 -3.026 -2.643 -0.037 1.00 0.00 H +ATOM 1526 2HB SER A 91 -3.786 -2.852 -1.607 1.00 0.00 H +ATOM 1527 HG SER A 91 -4.752 -0.695 -0.446 1.00 0.00 H +ATOM 1528 N ALA A 92 -5.922 -1.094 1.572 1.00 0.00 N +ATOM 1529 CA ALA A 92 -6.158 -0.463 2.875 1.00 0.00 C +ATOM 1530 C ALA A 92 -7.060 -1.288 3.740 1.00 0.00 C +ATOM 1531 O ALA A 92 -6.823 -1.455 4.911 1.00 0.00 O +ATOM 1532 CB ALA A 92 -6.701 0.950 2.754 1.00 0.00 C +ATOM 1533 H ALA A 92 -6.211 -0.612 0.733 1.00 0.00 H +ATOM 1534 HA ALA A 92 -5.206 -0.409 3.402 1.00 0.00 H +ATOM 1535 1HB ALA A 92 -6.856 1.367 3.749 1.00 0.00 H +ATOM 1536 2HB ALA A 92 -5.988 1.568 2.208 1.00 0.00 H +ATOM 1537 3HB ALA A 92 -7.648 0.930 2.217 1.00 0.00 H +ATOM 1538 N LEU A 93 -8.139 -1.804 3.157 1.00 0.00 N +ATOM 1539 CA LEU A 93 -9.130 -2.540 3.916 1.00 0.00 C +ATOM 1540 C LEU A 93 -8.587 -3.883 4.370 1.00 0.00 C +ATOM 1541 O LEU A 93 -8.762 -4.275 5.538 1.00 0.00 O +ATOM 1542 CB LEU A 93 -10.325 -2.762 3.021 1.00 0.00 C +ATOM 1543 CG LEU A 93 -11.521 -3.362 3.641 1.00 0.00 C +ATOM 1544 CD1 LEU A 93 -12.057 -2.526 4.795 1.00 0.00 C +ATOM 1545 CD2 LEU A 93 -12.540 -3.524 2.505 1.00 0.00 C +ATOM 1546 H LEU A 93 -8.271 -1.682 2.164 1.00 0.00 H +ATOM 1547 HA LEU A 93 -9.419 -1.941 4.779 1.00 0.00 H +ATOM 1548 1HB LEU A 93 -10.628 -1.804 2.603 1.00 0.00 H +ATOM 1549 2HB LEU A 93 -10.028 -3.416 2.202 1.00 0.00 H +ATOM 1550 HG LEU A 93 -11.259 -4.325 4.080 1.00 0.00 H +ATOM 1551 1HD1 LEU A 93 -12.937 -3.011 5.217 1.00 0.00 H +ATOM 1552 2HD1 LEU A 93 -11.291 -2.434 5.565 1.00 0.00 H +ATOM 1553 3HD1 LEU A 93 -12.328 -1.536 4.432 1.00 0.00 H +ATOM 1554 1HD2 LEU A 93 -13.456 -3.967 2.898 1.00 0.00 H +ATOM 1555 2HD2 LEU A 93 -12.765 -2.548 2.075 1.00 0.00 H +ATOM 1556 3HD2 LEU A 93 -12.125 -4.173 1.734 1.00 0.00 H +ATOM 1557 N LEU A 94 -7.966 -4.610 3.431 1.00 0.00 N +ATOM 1558 CA LEU A 94 -7.517 -5.966 3.714 1.00 0.00 C +ATOM 1559 C LEU A 94 -6.316 -5.928 4.667 1.00 0.00 C +ATOM 1560 O LEU A 94 -6.235 -6.738 5.617 1.00 0.00 O +ATOM 1561 CB LEU A 94 -7.195 -6.752 2.432 1.00 0.00 C +ATOM 1562 CG LEU A 94 -8.393 -7.468 1.809 1.00 0.00 C +ATOM 1563 CD1 LEU A 94 -9.393 -6.499 1.237 1.00 0.00 C +ATOM 1564 CD2 LEU A 94 -7.954 -8.399 0.706 1.00 0.00 C +ATOM 1565 H LEU A 94 -7.804 -4.219 2.514 1.00 0.00 H +ATOM 1566 HA LEU A 94 -8.316 -6.493 4.236 1.00 0.00 H +ATOM 1567 1HB LEU A 94 -6.788 -6.062 1.695 1.00 0.00 H +ATOM 1568 2HB LEU A 94 -6.433 -7.496 2.662 1.00 0.00 H +ATOM 1569 HG LEU A 94 -8.907 -8.050 2.574 1.00 0.00 H +ATOM 1570 1HD1 LEU A 94 -10.228 -7.050 0.805 1.00 0.00 H +ATOM 1571 2HD1 LEU A 94 -9.761 -5.846 2.029 1.00 0.00 H +ATOM 1572 3HD1 LEU A 94 -8.916 -5.898 0.463 1.00 0.00 H +ATOM 1573 1HD2 LEU A 94 -8.826 -8.896 0.280 1.00 0.00 H +ATOM 1574 2HD2 LEU A 94 -7.446 -7.828 -0.072 1.00 0.00 H +ATOM 1575 3HD2 LEU A 94 -7.271 -9.146 1.111 1.00 0.00 H +ATOM 1576 N SER A 95 -5.415 -4.960 4.454 1.00 0.00 N +ATOM 1577 CA SER A 95 -4.230 -4.880 5.286 1.00 0.00 C +ATOM 1578 C SER A 95 -4.613 -4.532 6.698 1.00 0.00 C +ATOM 1579 O SER A 95 -4.114 -5.116 7.657 1.00 0.00 O +ATOM 1580 CB SER A 95 -3.213 -3.911 4.686 1.00 0.00 C +ATOM 1581 OG SER A 95 -3.678 -2.578 4.728 1.00 0.00 O +ATOM 1582 H SER A 95 -5.547 -4.279 3.720 1.00 0.00 H +ATOM 1583 HA SER A 95 -3.777 -5.871 5.338 1.00 0.00 H +ATOM 1584 1HB SER A 95 -2.274 -3.984 5.236 1.00 0.00 H +ATOM 1585 2HB SER A 95 -3.010 -4.191 3.654 1.00 0.00 H +ATOM 1586 HG SER A 95 -4.547 -2.613 5.136 1.00 0.00 H +ATOM 1587 N GLY A 96 -5.590 -3.634 6.844 1.00 0.00 N +ATOM 1588 CA GLY A 96 -6.087 -3.270 8.168 1.00 0.00 C +ATOM 1589 C GLY A 96 -6.762 -4.436 8.867 1.00 0.00 C +ATOM 1590 O GLY A 96 -6.613 -4.635 10.100 1.00 0.00 O +ATOM 1591 H GLY A 96 -5.996 -3.197 6.029 1.00 0.00 H +ATOM 1592 1HA GLY A 96 -5.259 -2.914 8.782 1.00 0.00 H +ATOM 1593 2HA GLY A 96 -6.796 -2.448 8.077 1.00 0.00 H +ATOM 1594 N TYR A 97 -7.569 -5.191 8.106 1.00 0.00 N +ATOM 1595 CA TYR A 97 -8.290 -6.287 8.694 1.00 0.00 C +ATOM 1596 C TYR A 97 -7.294 -7.303 9.260 1.00 0.00 C +ATOM 1597 O TYR A 97 -7.494 -7.813 10.362 1.00 0.00 O +ATOM 1598 CB TYR A 97 -9.250 -6.949 7.687 1.00 0.00 C +ATOM 1599 CG TYR A 97 -9.519 -8.374 7.968 1.00 0.00 C +ATOM 1600 CD1 TYR A 97 -10.347 -8.775 8.992 1.00 0.00 C +ATOM 1601 CD2 TYR A 97 -8.884 -9.347 7.235 1.00 0.00 C +ATOM 1602 CE1 TYR A 97 -10.532 -10.110 9.272 1.00 0.00 C +ATOM 1603 CE2 TYR A 97 -9.093 -10.678 7.495 1.00 0.00 C +ATOM 1604 CZ TYR A 97 -9.902 -11.053 8.518 1.00 0.00 C +ATOM 1605 OH TYR A 97 -10.075 -12.435 8.689 1.00 0.00 O +ATOM 1606 H TYR A 97 -7.680 -5.002 7.120 1.00 0.00 H +ATOM 1607 HA TYR A 97 -8.886 -5.905 9.524 1.00 0.00 H +ATOM 1608 1HB TYR A 97 -10.202 -6.417 7.687 1.00 0.00 H +ATOM 1609 2HB TYR A 97 -8.832 -6.874 6.683 1.00 0.00 H +ATOM 1610 HD1 TYR A 97 -10.867 -8.032 9.595 1.00 0.00 H +ATOM 1611 HD2 TYR A 97 -8.201 -9.067 6.433 1.00 0.00 H +ATOM 1612 HE1 TYR A 97 -11.191 -10.410 10.087 1.00 0.00 H +ATOM 1613 HE2 TYR A 97 -8.609 -11.436 6.879 1.00 0.00 H +ATOM 1614 HH TYR A 97 -9.568 -12.904 8.022 1.00 0.00 H +ATOM 1615 N VAL A 98 -6.266 -7.643 8.465 1.00 0.00 N +ATOM 1616 CA VAL A 98 -5.312 -8.664 8.858 1.00 0.00 C +ATOM 1617 C VAL A 98 -4.441 -8.204 10.028 1.00 0.00 C +ATOM 1618 O VAL A 98 -4.173 -8.969 10.946 1.00 0.00 O +ATOM 1619 CB VAL A 98 -4.425 -9.049 7.669 1.00 0.00 C +ATOM 1620 CG1 VAL A 98 -3.289 -9.957 8.138 1.00 0.00 C +ATOM 1621 CG2 VAL A 98 -5.264 -9.766 6.594 1.00 0.00 C +ATOM 1622 H VAL A 98 -6.152 -7.179 7.575 1.00 0.00 H +ATOM 1623 HA VAL A 98 -5.864 -9.546 9.184 1.00 0.00 H +ATOM 1624 HB VAL A 98 -3.989 -8.145 7.245 1.00 0.00 H +ATOM 1625 1HG1 VAL A 98 -2.663 -10.227 7.287 1.00 0.00 H +ATOM 1626 2HG1 VAL A 98 -2.687 -9.433 8.880 1.00 0.00 H +ATOM 1627 3HG1 VAL A 98 -3.706 -10.861 8.582 1.00 0.00 H +ATOM 1628 1HG2 VAL A 98 -4.625 -10.034 5.753 1.00 0.00 H +ATOM 1629 2HG2 VAL A 98 -5.705 -10.668 7.018 1.00 0.00 H +ATOM 1630 3HG2 VAL A 98 -6.057 -9.102 6.249 1.00 0.00 H +ATOM 1631 N GLN A 99 -3.981 -6.953 9.959 1.00 0.00 N +ATOM 1632 CA GLN A 99 -3.238 -6.349 11.038 1.00 0.00 C +ATOM 1633 C GLN A 99 -3.975 -6.405 12.343 1.00 0.00 C +ATOM 1634 O GLN A 99 -3.384 -6.788 13.386 1.00 0.00 O +ATOM 1635 CB GLN A 99 -2.867 -4.919 10.741 1.00 0.00 C +ATOM 1636 CG GLN A 99 -1.925 -4.309 11.812 1.00 0.00 C +ATOM 1637 CD GLN A 99 -0.648 -5.101 12.038 1.00 0.00 C +ATOM 1638 OE1 GLN A 99 -0.090 -5.670 11.095 1.00 0.00 O +ATOM 1639 NE2 GLN A 99 -0.218 -5.211 13.309 1.00 0.00 N +ATOM 1640 H GLN A 99 -4.161 -6.414 9.124 1.00 0.00 H +ATOM 1641 HA GLN A 99 -2.315 -6.911 11.179 1.00 0.00 H +ATOM 1642 1HB GLN A 99 -2.375 -4.865 9.770 1.00 0.00 H +ATOM 1643 2HB GLN A 99 -3.772 -4.313 10.684 1.00 0.00 H +ATOM 1644 1HG GLN A 99 -1.636 -3.306 11.498 1.00 0.00 H +ATOM 1645 2HG GLN A 99 -2.454 -4.264 12.764 1.00 0.00 H +ATOM 1646 1HE2 GLN A 99 0.618 -5.723 13.513 1.00 0.00 H +ATOM 1647 2HE2 GLN A 99 -0.734 -4.783 14.051 1.00 0.00 H +ATOM 1648 N GLN A 100 -5.255 -6.016 12.332 1.00 0.00 N +ATOM 1649 CA GLN A 100 -5.995 -5.975 13.596 1.00 0.00 C +ATOM 1650 C GLN A 100 -6.266 -7.363 14.120 1.00 0.00 C +ATOM 1651 O GLN A 100 -6.235 -7.573 15.322 1.00 0.00 O +ATOM 1652 CB GLN A 100 -7.257 -5.133 13.563 1.00 0.00 C +ATOM 1653 CG GLN A 100 -8.380 -5.569 12.629 1.00 0.00 C +ATOM 1654 CD GLN A 100 -9.225 -6.715 13.139 1.00 0.00 C +ATOM 1655 OE1 GLN A 100 -9.472 -6.808 14.363 1.00 0.00 O +ATOM 1656 NE2 GLN A 100 -9.605 -7.683 12.195 1.00 0.00 N +ATOM 1657 H GLN A 100 -5.725 -5.750 11.478 1.00 0.00 H +ATOM 1658 HA GLN A 100 -5.350 -5.541 14.360 1.00 0.00 H +ATOM 1659 1HB GLN A 100 -7.694 -5.094 14.561 1.00 0.00 H +ATOM 1660 2HB GLN A 100 -7.006 -4.112 13.276 1.00 0.00 H +ATOM 1661 1HG GLN A 100 -9.051 -4.726 12.465 1.00 0.00 H +ATOM 1662 2HG GLN A 100 -7.946 -5.891 11.682 1.00 0.00 H +ATOM 1663 1HE2 GLN A 100 -10.165 -8.463 12.476 1.00 0.00 H +ATOM 1664 2HE2 GLN A 100 -9.317 -7.593 11.242 1.00 0.00 H +ATOM 1665 N LYS A 101 -6.472 -8.333 13.220 1.00 0.00 N +ATOM 1666 CA LYS A 101 -6.681 -9.723 13.636 1.00 0.00 C +ATOM 1667 C LYS A 101 -5.500 -10.281 14.454 1.00 0.00 C +ATOM 1668 O LYS A 101 -5.719 -10.974 15.393 1.00 0.00 O +ATOM 1669 CB LYS A 101 -6.895 -10.634 12.429 1.00 0.00 C +ATOM 1670 CG LYS A 101 -7.287 -12.058 12.764 1.00 0.00 C +ATOM 1671 CD LYS A 101 -8.474 -12.147 13.720 1.00 0.00 C +ATOM 1672 CE LYS A 101 -9.673 -11.284 13.326 1.00 0.00 C +ATOM 1673 NZ LYS A 101 -10.721 -11.378 14.389 1.00 0.00 N +ATOM 1674 H LYS A 101 -6.483 -8.108 12.235 1.00 0.00 H +ATOM 1675 HA LYS A 101 -7.575 -9.766 14.260 1.00 0.00 H +ATOM 1676 1HB LYS A 101 -7.677 -10.219 11.793 1.00 0.00 H +ATOM 1677 2HB LYS A 101 -5.980 -10.676 11.838 1.00 0.00 H +ATOM 1678 1HG LYS A 101 -7.552 -12.588 11.849 1.00 0.00 H +ATOM 1679 2HG LYS A 101 -6.443 -12.568 13.227 1.00 0.00 H +ATOM 1680 1HD LYS A 101 -8.820 -13.180 13.776 1.00 0.00 H +ATOM 1681 2HD LYS A 101 -8.162 -11.833 14.717 1.00 0.00 H +ATOM 1682 1HE LYS A 101 -9.352 -10.250 13.205 1.00 0.00 H +ATOM 1683 2HE LYS A 101 -10.073 -11.630 12.373 1.00 0.00 H +ATOM 1684 1HZ LYS A 101 -11.515 -10.809 14.130 1.00 0.00 H +ATOM 1685 2HZ LYS A 101 -11.015 -12.339 14.489 1.00 0.00 H +ATOM 1686 3HZ LYS A 101 -10.343 -11.049 15.265 1.00 0.00 H +ATOM 1687 N PHE A 102 -4.264 -9.996 14.037 1.00 0.00 N +ATOM 1688 CA PHE A 102 -3.069 -10.555 14.677 1.00 0.00 C +ATOM 1689 C PHE A 102 -2.668 -9.771 15.906 1.00 0.00 C +ATOM 1690 O PHE A 102 -2.255 -10.357 16.860 1.00 0.00 O +ATOM 1691 CB PHE A 102 -1.839 -10.534 13.768 1.00 0.00 C +ATOM 1692 CG PHE A 102 -1.901 -11.455 12.572 1.00 0.00 C +ATOM 1693 CD1 PHE A 102 -2.862 -12.455 12.445 1.00 0.00 C +ATOM 1694 CD2 PHE A 102 -0.918 -11.337 11.570 1.00 0.00 C +ATOM 1695 CE1 PHE A 102 -2.866 -13.295 11.330 1.00 0.00 C +ATOM 1696 CE2 PHE A 102 -0.914 -12.178 10.463 1.00 0.00 C +ATOM 1697 CZ PHE A 102 -1.892 -13.156 10.344 1.00 0.00 C +ATOM 1698 H PHE A 102 -4.155 -9.372 13.251 1.00 0.00 H +ATOM 1699 HA PHE A 102 -3.268 -11.597 14.932 1.00 0.00 H +ATOM 1700 1HB PHE A 102 -1.683 -9.524 13.391 1.00 0.00 H +ATOM 1701 2HB PHE A 102 -0.956 -10.809 14.343 1.00 0.00 H +ATOM 1702 HD1 PHE A 102 -3.613 -12.575 13.226 1.00 0.00 H +ATOM 1703 HD2 PHE A 102 -0.153 -10.566 11.671 1.00 0.00 H +ATOM 1704 HE1 PHE A 102 -3.633 -14.062 11.229 1.00 0.00 H +ATOM 1705 HE2 PHE A 102 -0.150 -12.076 9.692 1.00 0.00 H +ATOM 1706 HZ PHE A 102 -1.895 -13.816 9.477 1.00 0.00 H +ATOM 1707 N SER A 103 -2.801 -8.443 15.854 1.00 0.00 N +ATOM 1708 CA SER A 103 -2.190 -7.538 16.816 1.00 0.00 C +ATOM 1709 C SER A 103 -3.041 -6.399 17.376 1.00 0.00 C +ATOM 1710 O SER A 103 -2.533 -5.548 18.090 1.00 0.00 O +ATOM 1711 CB SER A 103 -1.010 -6.901 16.091 1.00 0.00 C +ATOM 1712 OG SER A 103 -0.155 -7.948 15.732 1.00 0.00 O +ATOM 1713 H SER A 103 -3.358 -8.061 15.103 1.00 0.00 H +ATOM 1714 HA SER A 103 -1.851 -8.121 17.673 1.00 0.00 H +ATOM 1715 1HB SER A 103 -1.371 -6.353 15.221 1.00 0.00 H +ATOM 1716 2HB SER A 103 -0.522 -6.184 16.750 1.00 0.00 H +ATOM 1717 HG SER A 103 -0.572 -8.752 16.052 1.00 0.00 H +ATOM 1718 N GLY A 104 -4.315 -6.325 16.976 1.00 0.00 N +ATOM 1719 CA GLY A 104 -5.217 -5.309 17.481 1.00 0.00 C +ATOM 1720 C GLY A 104 -5.236 -4.009 16.680 1.00 0.00 C +ATOM 1721 O GLY A 104 -4.581 -3.850 15.652 1.00 0.00 O +ATOM 1722 H GLY A 104 -4.657 -6.997 16.304 1.00 0.00 H +ATOM 1723 1HA GLY A 104 -6.234 -5.702 17.500 1.00 0.00 H +ATOM 1724 2HA GLY A 104 -4.950 -5.062 18.508 1.00 0.00 H +ATOM 1725 N PRO A 105 -6.068 -3.048 17.121 1.00 0.00 N +ATOM 1726 CA PRO A 105 -6.440 -1.913 16.282 1.00 0.00 C +ATOM 1727 C PRO A 105 -5.457 -0.681 16.228 1.00 0.00 C +ATOM 1728 O PRO A 105 -5.726 0.307 15.537 1.00 0.00 O +ATOM 1729 CB PRO A 105 -7.760 -1.520 16.927 1.00 0.00 C +ATOM 1730 CG PRO A 105 -7.526 -1.820 18.398 1.00 0.00 C +ATOM 1731 CD PRO A 105 -6.796 -3.114 18.390 1.00 0.00 C +ATOM 1732 HA PRO A 105 -6.570 -2.257 15.245 1.00 0.00 H +ATOM 1733 1HB PRO A 105 -7.976 -0.460 16.726 1.00 0.00 H +ATOM 1734 2HB PRO A 105 -8.582 -2.103 16.487 1.00 0.00 H +ATOM 1735 1HG PRO A 105 -6.949 -1.008 18.865 1.00 0.00 H +ATOM 1736 2HG PRO A 105 -8.486 -1.875 18.932 1.00 0.00 H +ATOM 1737 1HD PRO A 105 -6.118 -3.159 19.255 1.00 0.00 H +ATOM 1738 2HD PRO A 105 -7.519 -3.943 18.419 1.00 0.00 H +ATOM 1739 N TRP A 106 -4.367 -0.740 16.992 1.00 0.00 N +ATOM 1740 CA TRP A 106 -3.498 0.422 17.226 1.00 0.00 C +ATOM 1741 C TRP A 106 -2.361 0.393 16.263 1.00 0.00 C +ATOM 1742 O TRP A 106 -1.195 0.124 16.642 1.00 0.00 O +ATOM 1743 CB TRP A 106 -2.977 0.415 18.663 1.00 0.00 C +ATOM 1744 CG TRP A 106 -4.087 0.430 19.601 1.00 0.00 C +ATOM 1745 CD1 TRP A 106 -4.515 -0.604 20.362 1.00 0.00 C +ATOM 1746 CD2 TRP A 106 -4.992 1.513 19.833 1.00 0.00 C +ATOM 1747 NE1 TRP A 106 -5.592 -0.214 21.128 1.00 0.00 N +ATOM 1748 CE2 TRP A 106 -5.934 1.072 20.791 1.00 0.00 C +ATOM 1749 CE3 TRP A 106 -5.101 2.806 19.333 1.00 0.00 C +ATOM 1750 CZ2 TRP A 106 -6.967 1.876 21.254 1.00 0.00 C +ATOM 1751 CZ3 TRP A 106 -6.162 3.615 19.799 1.00 0.00 C +ATOM 1752 CH2 TRP A 106 -7.062 3.140 20.765 1.00 0.00 C +ATOM 1753 H TRP A 106 -4.136 -1.623 17.424 1.00 0.00 H +ATOM 1754 HA TRP A 106 -4.082 1.328 17.070 1.00 0.00 H +ATOM 1755 1HB TRP A 106 -2.365 -0.472 18.824 1.00 0.00 H +ATOM 1756 2HB TRP A 106 -2.341 1.285 18.824 1.00 0.00 H +ATOM 1757 HD1 TRP A 106 -4.072 -1.598 20.367 1.00 0.00 H +ATOM 1758 HE1 TRP A 106 -6.056 -0.781 21.823 1.00 0.00 H +ATOM 1759 HE3 TRP A 106 -4.388 3.189 18.604 1.00 0.00 H +ATOM 1760 HZ2 TRP A 106 -7.691 1.524 21.990 1.00 0.00 H +ATOM 1761 HZ3 TRP A 106 -6.264 4.620 19.388 1.00 0.00 H +ATOM 1762 HH2 TRP A 106 -7.853 3.797 21.128 1.00 0.00 H +ATOM 1763 N PHE A 107 -2.709 0.640 14.997 1.00 0.00 N +ATOM 1764 CA PHE A 107 -1.764 0.669 13.907 1.00 0.00 C +ATOM 1765 C PHE A 107 -2.133 1.791 12.969 1.00 0.00 C +ATOM 1766 O PHE A 107 -3.244 2.341 13.025 1.00 0.00 O +ATOM 1767 CB PHE A 107 -1.780 -0.683 13.192 1.00 0.00 C +ATOM 1768 CG PHE A 107 -3.055 -0.981 12.478 1.00 0.00 C +ATOM 1769 CD1 PHE A 107 -4.101 -1.552 13.148 1.00 0.00 C +ATOM 1770 CD2 PHE A 107 -3.202 -0.668 11.145 1.00 0.00 C +ATOM 1771 CE1 PHE A 107 -5.286 -1.837 12.510 1.00 0.00 C +ATOM 1772 CE2 PHE A 107 -4.388 -0.947 10.489 1.00 0.00 C +ATOM 1773 CZ PHE A 107 -5.435 -1.512 11.190 1.00 0.00 C +ATOM 1774 H PHE A 107 -3.686 0.814 14.806 1.00 0.00 H +ATOM 1775 HA PHE A 107 -0.769 0.848 14.317 1.00 0.00 H +ATOM 1776 1HB PHE A 107 -0.971 -0.719 12.463 1.00 0.00 H +ATOM 1777 2HB PHE A 107 -1.605 -1.479 13.914 1.00 0.00 H +ATOM 1778 HD1 PHE A 107 -3.992 -1.784 14.207 1.00 0.00 H +ATOM 1779 HD2 PHE A 107 -2.370 -0.222 10.600 1.00 0.00 H +ATOM 1780 HE1 PHE A 107 -6.097 -2.317 13.058 1.00 0.00 H +ATOM 1781 HE2 PHE A 107 -4.501 -0.725 9.428 1.00 0.00 H +ATOM 1782 HZ PHE A 107 -6.381 -1.700 10.685 1.00 0.00 H +ATOM 1783 N GLY A 108 -1.192 2.152 12.097 1.00 0.00 N +ATOM 1784 CA GLY A 108 -1.459 3.141 11.089 1.00 0.00 C +ATOM 1785 C GLY A 108 -0.352 3.178 10.084 1.00 0.00 C +ATOM 1786 O GLY A 108 0.717 2.636 10.301 1.00 0.00 O +ATOM 1787 H GLY A 108 -0.276 1.729 12.140 1.00 0.00 H +ATOM 1788 1HA GLY A 108 -2.404 2.911 10.596 1.00 0.00 H +ATOM 1789 2HA GLY A 108 -1.570 4.117 11.559 1.00 0.00 H +ATOM 1790 N GLY A 109 -0.607 3.856 8.974 1.00 0.00 N +ATOM 1791 CA GLY A 109 0.409 4.042 7.971 1.00 0.00 C +ATOM 1792 C GLY A 109 0.014 3.548 6.596 1.00 0.00 C +ATOM 1793 O GLY A 109 -0.753 2.586 6.452 1.00 0.00 O +ATOM 1794 H GLY A 109 -1.525 4.250 8.824 1.00 0.00 H +ATOM 1795 1HA GLY A 109 0.655 5.102 7.895 1.00 0.00 H +ATOM 1796 2HA GLY A 109 1.317 3.522 8.273 1.00 0.00 H +ATOM 1797 N LEU A 110 0.604 4.186 5.588 1.00 0.00 N +ATOM 1798 CA LEU A 110 0.424 3.859 4.190 1.00 0.00 C +ATOM 1799 C LEU A 110 1.186 2.611 3.628 1.00 0.00 C +ATOM 1800 O LEU A 110 0.993 2.204 2.505 1.00 0.00 O +ATOM 1801 CB LEU A 110 0.718 5.128 3.351 1.00 0.00 C +ATOM 1802 CG LEU A 110 0.154 5.105 1.933 1.00 0.00 C +ATOM 1803 CD1 LEU A 110 -1.387 5.048 1.998 1.00 0.00 C +ATOM 1804 CD2 LEU A 110 0.647 6.371 1.227 1.00 0.00 C +ATOM 1805 H LEU A 110 1.216 4.949 5.840 1.00 0.00 H +ATOM 1806 HA LEU A 110 -0.610 3.550 4.038 1.00 0.00 H +ATOM 1807 1HB LEU A 110 0.301 5.990 3.867 1.00 0.00 H +ATOM 1808 2HB LEU A 110 1.798 5.257 3.284 1.00 0.00 H +ATOM 1809 HG LEU A 110 0.510 4.215 1.414 1.00 0.00 H +ATOM 1810 1HD1 LEU A 110 -1.794 5.032 0.986 1.00 0.00 H +ATOM 1811 2HD1 LEU A 110 -1.696 4.146 2.526 1.00 0.00 H +ATOM 1812 3HD1 LEU A 110 -1.762 5.924 2.525 1.00 0.00 H +ATOM 1813 1HD2 LEU A 110 0.263 6.391 0.206 1.00 0.00 H +ATOM 1814 2HD2 LEU A 110 0.291 7.250 1.765 1.00 0.00 H +ATOM 1815 3HD2 LEU A 110 1.737 6.375 1.205 1.00 0.00 H +ATOM 1816 N SER A 111 2.024 1.979 4.429 1.00 0.00 N +ATOM 1817 CA SER A 111 2.845 0.888 3.946 1.00 0.00 C +ATOM 1818 C SER A 111 2.089 -0.351 3.481 1.00 0.00 C +ATOM 1819 O SER A 111 2.634 -1.120 2.676 1.00 0.00 O +ATOM 1820 CB SER A 111 3.898 0.485 4.992 1.00 0.00 C +ATOM 1821 OG SER A 111 3.320 -0.053 6.194 1.00 0.00 O +ATOM 1822 H SER A 111 2.098 2.259 5.396 1.00 0.00 H +ATOM 1823 HA SER A 111 3.363 1.217 3.045 1.00 0.00 H +ATOM 1824 1HB SER A 111 4.568 -0.261 4.566 1.00 0.00 H +ATOM 1825 2HB SER A 111 4.500 1.354 5.255 1.00 0.00 H +ATOM 1826 HG SER A 111 2.369 -0.036 6.061 1.00 0.00 H +ATOM 1827 N GLY A 112 0.858 -0.562 3.971 1.00 0.00 N +ATOM 1828 CA GLY A 112 0.035 -1.663 3.484 1.00 0.00 C +ATOM 1829 C GLY A 112 -0.209 -1.434 2.009 1.00 0.00 C +ATOM 1830 O GLY A 112 -0.034 -2.335 1.146 1.00 0.00 O +ATOM 1831 H GLY A 112 0.491 0.048 4.688 1.00 0.00 H +ATOM 1832 1HA GLY A 112 0.548 -2.608 3.663 1.00 0.00 H +ATOM 1833 2HA GLY A 112 -0.899 -1.694 4.044 1.00 0.00 H +ATOM 1834 N VAL A 113 -0.603 -0.192 1.714 1.00 0.00 N +ATOM 1835 CA VAL A 113 -0.867 0.283 0.356 1.00 0.00 C +ATOM 1836 C VAL A 113 0.414 0.290 -0.469 1.00 0.00 C +ATOM 1837 O VAL A 113 0.432 -0.103 -1.577 1.00 0.00 O +ATOM 1838 CB VAL A 113 -1.508 1.687 0.352 1.00 0.00 C +ATOM 1839 CG1 VAL A 113 -1.660 2.166 -1.059 1.00 0.00 C +ATOM 1840 CG2 VAL A 113 -2.865 1.687 1.021 1.00 0.00 C +ATOM 1841 H VAL A 113 -0.720 0.445 2.490 1.00 0.00 H +ATOM 1842 HA VAL A 113 -1.564 -0.406 -0.122 1.00 0.00 H +ATOM 1843 HB VAL A 113 -0.855 2.376 0.889 1.00 0.00 H +ATOM 1844 1HG1 VAL A 113 -2.113 3.158 -1.060 1.00 0.00 H +ATOM 1845 2HG1 VAL A 113 -0.681 2.214 -1.535 1.00 0.00 H +ATOM 1846 3HG1 VAL A 113 -2.299 1.477 -1.610 1.00 0.00 H +ATOM 1847 1HG2 VAL A 113 -3.282 2.693 0.998 1.00 0.00 H +ATOM 1848 2HG2 VAL A 113 -3.531 1.005 0.492 1.00 0.00 H +ATOM 1849 3HG2 VAL A 113 -2.760 1.361 2.056 1.00 0.00 H +ATOM 1850 N VAL A 114 1.508 0.767 0.113 1.00 0.00 N +ATOM 1851 CA VAL A 114 2.762 0.775 -0.584 1.00 0.00 C +ATOM 1852 C VAL A 114 3.197 -0.628 -0.973 1.00 0.00 C +ATOM 1853 O VAL A 114 3.678 -0.814 -2.114 1.00 0.00 O +ATOM 1854 CB VAL A 114 3.842 1.485 0.225 1.00 0.00 C +ATOM 1855 CG1 VAL A 114 5.199 1.247 -0.375 1.00 0.00 C +ATOM 1856 CG2 VAL A 114 3.541 2.962 0.244 1.00 0.00 C +ATOM 1857 H VAL A 114 1.465 1.129 1.054 1.00 0.00 H +ATOM 1858 HA VAL A 114 2.632 1.312 -1.524 1.00 0.00 H +ATOM 1859 HB VAL A 114 3.841 1.090 1.241 1.00 0.00 H +ATOM 1860 1HG1 VAL A 114 5.955 1.763 0.217 1.00 0.00 H +ATOM 1861 2HG1 VAL A 114 5.411 0.178 -0.383 1.00 0.00 H +ATOM 1862 3HG1 VAL A 114 5.217 1.629 -1.396 1.00 0.00 H +ATOM 1863 1HG2 VAL A 114 4.306 3.482 0.820 1.00 0.00 H +ATOM 1864 2HG2 VAL A 114 3.532 3.344 -0.777 1.00 0.00 H +ATOM 1865 3HG2 VAL A 114 2.566 3.129 0.702 1.00 0.00 H +ATOM 1866 N TYR A 115 3.043 -1.596 -0.049 1.00 0.00 N +ATOM 1867 CA TYR A 115 3.414 -2.996 -0.328 1.00 0.00 C +ATOM 1868 C TYR A 115 2.578 -3.556 -1.496 1.00 0.00 C +ATOM 1869 O TYR A 115 3.112 -4.264 -2.333 1.00 0.00 O +ATOM 1870 CB TYR A 115 3.320 -3.943 0.896 1.00 0.00 C +ATOM 1871 CG TYR A 115 4.556 -3.954 1.826 1.00 0.00 C +ATOM 1872 CD1 TYR A 115 5.159 -2.779 2.226 1.00 0.00 C +ATOM 1873 CD2 TYR A 115 5.076 -5.152 2.331 1.00 0.00 C +ATOM 1874 CE1 TYR A 115 6.236 -2.770 3.059 1.00 0.00 C +ATOM 1875 CE2 TYR A 115 6.156 -5.157 3.195 1.00 0.00 C +ATOM 1876 CZ TYR A 115 6.735 -3.950 3.563 1.00 0.00 C +ATOM 1877 OH TYR A 115 7.822 -3.893 4.430 1.00 0.00 O +ATOM 1878 H TYR A 115 2.665 -1.358 0.856 1.00 0.00 H +ATOM 1879 HA TYR A 115 4.452 -3.019 -0.661 1.00 0.00 H +ATOM 1880 1HB TYR A 115 2.459 -3.665 1.505 1.00 0.00 H +ATOM 1881 2HB TYR A 115 3.163 -4.965 0.553 1.00 0.00 H +ATOM 1882 HD1 TYR A 115 4.773 -1.822 1.875 1.00 0.00 H +ATOM 1883 HD2 TYR A 115 4.629 -6.104 2.043 1.00 0.00 H +ATOM 1884 HE1 TYR A 115 6.687 -1.823 3.356 1.00 0.00 H +ATOM 1885 HE2 TYR A 115 6.544 -6.101 3.578 1.00 0.00 H +ATOM 1886 HH TYR A 115 8.065 -4.783 4.696 1.00 0.00 H +ATOM 1887 N ALA A 116 1.272 -3.244 -1.524 1.00 0.00 N +ATOM 1888 CA ALA A 116 0.378 -3.644 -2.626 1.00 0.00 C +ATOM 1889 C ALA A 116 0.883 -3.072 -3.969 1.00 0.00 C +ATOM 1890 O ALA A 116 0.976 -3.781 -4.968 1.00 0.00 O +ATOM 1891 CB ALA A 116 -1.030 -3.160 -2.328 1.00 0.00 C +ATOM 1892 H ALA A 116 0.894 -2.713 -0.752 1.00 0.00 H +ATOM 1893 HA ALA A 116 0.383 -4.732 -2.689 1.00 0.00 H +ATOM 1894 1HB ALA A 116 -1.695 -3.453 -3.140 1.00 0.00 H +ATOM 1895 2HB ALA A 116 -1.378 -3.606 -1.396 1.00 0.00 H +ATOM 1896 3HB ALA A 116 -1.029 -2.075 -2.233 1.00 0.00 H +ATOM 1897 N LEU A 117 1.307 -1.803 -3.960 1.00 0.00 N +ATOM 1898 CA LEU A 117 1.793 -1.174 -5.192 1.00 0.00 C +ATOM 1899 C LEU A 117 3.062 -1.832 -5.692 1.00 0.00 C +ATOM 1900 O LEU A 117 3.231 -2.090 -6.909 1.00 0.00 O +ATOM 1901 CB LEU A 117 2.021 0.336 -4.980 1.00 0.00 C +ATOM 1902 CG LEU A 117 0.732 1.105 -4.829 1.00 0.00 C +ATOM 1903 CD1 LEU A 117 1.067 2.545 -4.468 1.00 0.00 C +ATOM 1904 CD2 LEU A 117 -0.071 1.040 -6.123 1.00 0.00 C +ATOM 1905 H LEU A 117 1.297 -1.266 -3.104 1.00 0.00 H +ATOM 1906 HA LEU A 117 1.039 -1.304 -5.967 1.00 0.00 H +ATOM 1907 1HB LEU A 117 2.627 0.473 -4.085 1.00 0.00 H +ATOM 1908 2HB LEU A 117 2.576 0.727 -5.832 1.00 0.00 H +ATOM 1909 HG LEU A 117 0.142 0.673 -4.020 1.00 0.00 H +ATOM 1910 1HD1 LEU A 117 0.146 3.116 -4.356 1.00 0.00 H +ATOM 1911 2HD1 LEU A 117 1.623 2.565 -3.530 1.00 0.00 H +ATOM 1912 3HD1 LEU A 117 1.673 2.986 -5.259 1.00 0.00 H +ATOM 1913 1HD2 LEU A 117 -1.000 1.599 -6.003 1.00 0.00 H +ATOM 1914 2HD2 LEU A 117 0.511 1.476 -6.936 1.00 0.00 H +ATOM 1915 3HD2 LEU A 117 -0.301 0.001 -6.358 1.00 0.00 H +ATOM 1916 N MET A 118 3.969 -2.096 -4.748 1.00 0.00 N +ATOM 1917 CA MET A 118 5.201 -2.771 -5.073 1.00 0.00 C +ATOM 1918 C MET A 118 4.967 -4.096 -5.740 1.00 0.00 C +ATOM 1919 O MET A 118 5.547 -4.372 -6.811 1.00 0.00 O +ATOM 1920 CB MET A 118 6.032 -2.963 -3.833 1.00 0.00 C +ATOM 1921 CG MET A 118 6.762 -1.697 -3.397 1.00 0.00 C +ATOM 1922 SD MET A 118 7.500 -2.061 -1.777 1.00 0.00 S +ATOM 1923 CE MET A 118 8.512 -0.606 -1.567 1.00 0.00 C +ATOM 1924 H MET A 118 3.795 -1.822 -3.792 1.00 0.00 H +ATOM 1925 HA MET A 118 5.759 -2.152 -5.776 1.00 0.00 H +ATOM 1926 1HB MET A 118 5.393 -3.293 -3.015 1.00 0.00 H +ATOM 1927 2HB MET A 118 6.771 -3.746 -4.008 1.00 0.00 H +ATOM 1928 1HG MET A 118 7.521 -1.442 -4.136 1.00 0.00 H +ATOM 1929 2HG MET A 118 6.053 -0.871 -3.338 1.00 0.00 H +ATOM 1930 1HE MET A 118 9.041 -0.664 -0.615 1.00 0.00 H +ATOM 1931 2HE MET A 118 9.235 -0.545 -2.382 1.00 0.00 H +ATOM 1932 3HE MET A 118 7.880 0.282 -1.577 1.00 0.00 H +ATOM 1933 N GLY A 119 4.128 -4.921 -5.109 1.00 0.00 N +ATOM 1934 CA GLY A 119 3.780 -6.215 -5.668 1.00 0.00 C +ATOM 1935 C GLY A 119 3.013 -6.118 -7.011 1.00 0.00 C +ATOM 1936 O GLY A 119 3.228 -6.907 -7.928 1.00 0.00 O +ATOM 1937 H GLY A 119 3.725 -4.642 -4.226 1.00 0.00 H +ATOM 1938 1HA GLY A 119 4.688 -6.798 -5.828 1.00 0.00 H +ATOM 1939 2HA GLY A 119 3.167 -6.765 -4.956 1.00 0.00 H +ATOM 1940 N TYR A 120 2.094 -5.146 -7.090 1.00 0.00 N +ATOM 1941 CA TYR A 120 1.310 -4.902 -8.270 1.00 0.00 C +ATOM 1942 C TYR A 120 2.201 -4.574 -9.482 1.00 0.00 C +ATOM 1943 O TYR A 120 2.107 -5.247 -10.564 1.00 0.00 O +ATOM 1944 CB TYR A 120 0.268 -3.789 -8.056 1.00 0.00 C +ATOM 1945 CG TYR A 120 -0.656 -3.729 -9.246 1.00 0.00 C +ATOM 1946 CD1 TYR A 120 -1.761 -4.581 -9.374 1.00 0.00 C +ATOM 1947 CD2 TYR A 120 -0.395 -2.853 -10.276 1.00 0.00 C +ATOM 1948 CE1 TYR A 120 -2.583 -4.520 -10.496 1.00 0.00 C +ATOM 1949 CE2 TYR A 120 -1.183 -2.785 -11.390 1.00 0.00 C +ATOM 1950 CZ TYR A 120 -2.276 -3.617 -11.508 1.00 0.00 C +ATOM 1951 OH TYR A 120 -2.972 -3.472 -12.648 1.00 0.00 O +ATOM 1952 H TYR A 120 1.954 -4.564 -6.277 1.00 0.00 H +ATOM 1953 HA TYR A 120 0.773 -5.816 -8.524 1.00 0.00 H +ATOM 1954 1HB TYR A 120 -0.298 -3.990 -7.145 1.00 0.00 H +ATOM 1955 2HB TYR A 120 0.777 -2.835 -7.921 1.00 0.00 H +ATOM 1956 HD1 TYR A 120 -1.985 -5.304 -8.588 1.00 0.00 H +ATOM 1957 HD2 TYR A 120 0.464 -2.185 -10.218 1.00 0.00 H +ATOM 1958 HE1 TYR A 120 -3.439 -5.190 -10.582 1.00 0.00 H +ATOM 1959 HE2 TYR A 120 -0.946 -2.076 -12.182 1.00 0.00 H +ATOM 1960 HH TYR A 120 -2.562 -2.791 -13.186 1.00 0.00 H +ATOM 1961 N VAL A 121 3.017 -3.519 -9.321 1.00 0.00 N +ATOM 1962 CA VAL A 121 3.800 -2.988 -10.441 1.00 0.00 C +ATOM 1963 C VAL A 121 4.821 -4.036 -10.855 1.00 0.00 C +ATOM 1964 O VAL A 121 4.985 -4.342 -12.051 1.00 0.00 O +ATOM 1965 CB VAL A 121 4.453 -1.625 -10.146 1.00 0.00 C +ATOM 1966 CG1 VAL A 121 5.414 -1.209 -11.276 1.00 0.00 C +ATOM 1967 CG2 VAL A 121 3.388 -0.562 -9.926 1.00 0.00 C +ATOM 1968 H VAL A 121 3.095 -3.080 -8.414 1.00 0.00 H +ATOM 1969 HA VAL A 121 3.133 -2.847 -11.293 1.00 0.00 H +ATOM 1970 HB VAL A 121 5.065 -1.712 -9.248 1.00 0.00 H +ATOM 1971 1HG1 VAL A 121 5.860 -0.243 -11.038 1.00 0.00 H +ATOM 1972 2HG1 VAL A 121 6.202 -1.956 -11.377 1.00 0.00 H +ATOM 1973 3HG1 VAL A 121 4.863 -1.133 -12.213 1.00 0.00 H +ATOM 1974 1HG2 VAL A 121 3.867 0.395 -9.718 1.00 0.00 H +ATOM 1975 2HG2 VAL A 121 2.772 -0.473 -10.821 1.00 0.00 H +ATOM 1976 3HG2 VAL A 121 2.761 -0.845 -9.080 1.00 0.00 H +ATOM 1977 N TRP A 122 5.474 -4.644 -9.863 1.00 0.00 N +ATOM 1978 CA TRP A 122 6.471 -5.652 -10.166 1.00 0.00 C +ATOM 1979 C TRP A 122 5.866 -6.834 -10.982 1.00 0.00 C +ATOM 1980 O TRP A 122 6.376 -7.200 -12.039 1.00 0.00 O +ATOM 1981 CB TRP A 122 7.098 -6.217 -8.883 1.00 0.00 C +ATOM 1982 CG TRP A 122 8.104 -7.242 -9.233 1.00 0.00 C +ATOM 1983 CD1 TRP A 122 9.278 -7.032 -9.857 1.00 0.00 C +ATOM 1984 CD2 TRP A 122 7.981 -8.647 -9.059 1.00 0.00 C +ATOM 1985 NE1 TRP A 122 9.919 -8.220 -10.058 1.00 0.00 N +ATOM 1986 CE2 TRP A 122 9.141 -9.230 -9.567 1.00 0.00 C +ATOM 1987 CE3 TRP A 122 7.004 -9.467 -8.500 1.00 0.00 C +ATOM 1988 CZ2 TRP A 122 9.360 -10.612 -9.550 1.00 0.00 C +ATOM 1989 CZ3 TRP A 122 7.228 -10.841 -8.476 1.00 0.00 C +ATOM 1990 CH2 TRP A 122 8.392 -11.399 -9.011 1.00 0.00 C +ATOM 1991 H TRP A 122 5.285 -4.413 -8.898 1.00 0.00 H +ATOM 1992 HA TRP A 122 7.261 -5.190 -10.757 1.00 0.00 H +ATOM 1993 1HB TRP A 122 7.561 -5.408 -8.318 1.00 0.00 H +ATOM 1994 2HB TRP A 122 6.318 -6.649 -8.257 1.00 0.00 H +ATOM 1995 HD1 TRP A 122 9.658 -6.057 -10.157 1.00 0.00 H +ATOM 1996 HE1 TRP A 122 10.821 -8.335 -10.498 1.00 0.00 H +ATOM 1997 HE3 TRP A 122 6.088 -9.046 -8.089 1.00 0.00 H +ATOM 1998 HZ2 TRP A 122 10.270 -11.059 -9.950 1.00 0.00 H +ATOM 1999 HZ3 TRP A 122 6.463 -11.474 -8.025 1.00 0.00 H +ATOM 2000 HH2 TRP A 122 8.528 -12.481 -8.997 1.00 0.00 H +ATOM 2001 N LEU A 123 4.798 -7.431 -10.436 1.00 0.00 N +ATOM 2002 CA LEU A 123 4.236 -8.639 -10.992 1.00 0.00 C +ATOM 2003 C LEU A 123 3.578 -8.340 -12.350 1.00 0.00 C +ATOM 2004 O LEU A 123 3.724 -9.102 -13.289 1.00 0.00 O +ATOM 2005 CB LEU A 123 3.242 -9.306 -10.025 1.00 0.00 C +ATOM 2006 CG LEU A 123 2.717 -10.640 -10.622 1.00 0.00 C +ATOM 2007 CD1 LEU A 123 3.851 -11.614 -10.939 1.00 0.00 C +ATOM 2008 CD2 LEU A 123 1.678 -11.292 -9.719 1.00 0.00 C +ATOM 2009 H LEU A 123 4.375 -7.024 -9.614 1.00 0.00 H +ATOM 2010 HA LEU A 123 5.046 -9.343 -11.180 1.00 0.00 H +ATOM 2011 1HB LEU A 123 3.747 -9.486 -9.078 1.00 0.00 H +ATOM 2012 2HB LEU A 123 2.415 -8.618 -9.847 1.00 0.00 H +ATOM 2013 HG LEU A 123 2.256 -10.449 -11.592 1.00 0.00 H +ATOM 2014 1HD1 LEU A 123 3.437 -12.533 -11.354 1.00 0.00 H +ATOM 2015 2HD1 LEU A 123 4.528 -11.162 -11.664 1.00 0.00 H +ATOM 2016 3HD1 LEU A 123 4.398 -11.844 -10.025 1.00 0.00 H +ATOM 2017 1HD2 LEU A 123 1.335 -12.223 -10.171 1.00 0.00 H +ATOM 2018 2HD2 LEU A 123 2.124 -11.504 -8.746 1.00 0.00 H +ATOM 2019 3HD2 LEU A 123 0.832 -10.616 -9.591 1.00 0.00 H +ATOM 2020 N ARG A 124 2.880 -7.201 -12.438 1.00 0.00 N +ATOM 2021 CA ARG A 124 2.221 -6.812 -13.684 1.00 0.00 C +ATOM 2022 C ARG A 124 3.280 -6.664 -14.777 1.00 0.00 C +ATOM 2023 O ARG A 124 3.098 -7.141 -15.879 1.00 0.00 O +ATOM 2024 CB ARG A 124 1.417 -5.541 -13.460 1.00 0.00 C +ATOM 2025 CG ARG A 124 0.528 -5.097 -14.593 1.00 0.00 C +ATOM 2026 CD ARG A 124 -0.784 -5.868 -14.693 1.00 0.00 C +ATOM 2027 NE ARG A 124 -1.470 -5.582 -15.960 1.00 0.00 N +ATOM 2028 CZ ARG A 124 -2.321 -4.575 -16.184 1.00 0.00 C +ATOM 2029 NH1 ARG A 124 -2.663 -3.708 -15.249 1.00 0.00 N +ATOM 2030 NH2 ARG A 124 -2.867 -4.452 -17.369 1.00 0.00 N +ATOM 2031 H ARG A 124 2.805 -6.596 -11.632 1.00 0.00 H +ATOM 2032 HA ARG A 124 1.545 -7.614 -13.982 1.00 0.00 H +ATOM 2033 1HB ARG A 124 0.775 -5.666 -12.589 1.00 0.00 H +ATOM 2034 2HB ARG A 124 2.095 -4.713 -13.251 1.00 0.00 H +ATOM 2035 1HG ARG A 124 0.273 -4.045 -14.465 1.00 0.00 H +ATOM 2036 2HG ARG A 124 1.052 -5.232 -15.540 1.00 0.00 H +ATOM 2037 1HD ARG A 124 -0.583 -6.937 -14.639 1.00 0.00 H +ATOM 2038 2HD ARG A 124 -1.438 -5.580 -13.871 1.00 0.00 H +ATOM 2039 HE ARG A 124 -1.288 -6.196 -16.742 1.00 0.00 H +ATOM 2040 1HH1 ARG A 124 -2.276 -3.789 -14.319 1.00 0.00 H +ATOM 2041 2HH1 ARG A 124 -3.310 -2.963 -15.463 1.00 0.00 H +ATOM 2042 1HH2 ARG A 124 -2.642 -5.112 -18.101 1.00 0.00 H +ATOM 2043 2HH2 ARG A 124 -3.511 -3.697 -17.552 1.00 0.00 H +ATOM 2044 N GLY A 125 4.393 -6.009 -14.432 1.00 0.00 N +ATOM 2045 CA GLY A 125 5.570 -5.926 -15.273 1.00 0.00 C +ATOM 2046 C GLY A 125 6.050 -7.286 -15.737 1.00 0.00 C +ATOM 2047 O GLY A 125 6.206 -7.513 -16.921 1.00 0.00 O +ATOM 2048 H GLY A 125 4.398 -5.551 -13.532 1.00 0.00 H +ATOM 2049 1HA GLY A 125 5.351 -5.311 -16.146 1.00 0.00 H +ATOM 2050 2HA GLY A 125 6.373 -5.434 -14.726 1.00 0.00 H +ATOM 2051 N GLU A 126 6.255 -8.206 -14.797 1.00 0.00 N +ATOM 2052 CA GLU A 126 6.746 -9.536 -15.137 1.00 0.00 C +ATOM 2053 C GLU A 126 5.807 -10.313 -16.067 1.00 0.00 C +ATOM 2054 O GLU A 126 6.267 -10.978 -16.989 1.00 0.00 O +ATOM 2055 CB GLU A 126 7.039 -10.355 -13.869 1.00 0.00 C +ATOM 2056 CG GLU A 126 8.192 -9.810 -13.037 1.00 0.00 C +ATOM 2057 CD GLU A 126 9.507 -9.667 -13.814 1.00 0.00 C +ATOM 2058 OE1 GLU A 126 10.253 -10.654 -13.907 1.00 0.00 O +ATOM 2059 OE2 GLU A 126 9.809 -8.552 -14.316 1.00 0.00 O +ATOM 2060 H GLU A 126 6.069 -7.983 -13.830 1.00 0.00 H +ATOM 2061 HA GLU A 126 7.674 -9.428 -15.700 1.00 0.00 H +ATOM 2062 1HB GLU A 126 6.149 -10.382 -13.240 1.00 0.00 H +ATOM 2063 2HB GLU A 126 7.276 -11.383 -14.146 1.00 0.00 H +ATOM 2064 1HG GLU A 126 7.915 -8.830 -12.650 1.00 0.00 H +ATOM 2065 2HG GLU A 126 8.359 -10.472 -12.189 1.00 0.00 H +ATOM 2066 N ARG A 127 4.493 -10.236 -15.816 1.00 0.00 N +ATOM 2067 CA ARG A 127 3.518 -11.098 -16.495 1.00 0.00 C +ATOM 2068 C ARG A 127 2.929 -10.485 -17.761 1.00 0.00 C +ATOM 2069 O ARG A 127 2.431 -11.182 -18.611 1.00 0.00 O +ATOM 2070 CB ARG A 127 2.382 -11.466 -15.540 1.00 0.00 C +ATOM 2071 CG ARG A 127 2.787 -12.411 -14.416 1.00 0.00 C +ATOM 2072 CD ARG A 127 1.581 -13.121 -13.799 1.00 0.00 C +ATOM 2073 NE ARG A 127 1.003 -14.101 -14.719 1.00 0.00 N +ATOM 2074 CZ ARG A 127 -0.292 -14.237 -15.015 1.00 0.00 C +ATOM 2075 NH1 ARG A 127 -1.225 -13.501 -14.432 1.00 0.00 N +ATOM 2076 NH2 ARG A 127 -0.666 -15.148 -15.897 1.00 0.00 N +ATOM 2077 H ARG A 127 4.166 -9.563 -15.138 1.00 0.00 H +ATOM 2078 HA ARG A 127 4.024 -12.012 -16.808 1.00 0.00 H +ATOM 2079 1HB ARG A 127 1.980 -10.561 -15.087 1.00 0.00 H +ATOM 2080 2HB ARG A 127 1.575 -11.939 -16.099 1.00 0.00 H +ATOM 2081 1HG ARG A 127 3.466 -13.170 -14.805 1.00 0.00 H +ATOM 2082 2HG ARG A 127 3.288 -11.846 -13.629 1.00 0.00 H +ATOM 2083 1HD ARG A 127 1.890 -13.642 -12.893 1.00 0.00 H +ATOM 2084 2HD ARG A 127 0.814 -12.387 -13.553 1.00 0.00 H +ATOM 2085 HE ARG A 127 1.634 -14.742 -15.181 1.00 0.00 H +ATOM 2086 1HH1 ARG A 127 -0.966 -12.811 -13.741 1.00 0.00 H +ATOM 2087 2HH1 ARG A 127 -2.196 -13.628 -14.679 1.00 0.00 H +ATOM 2088 1HH2 ARG A 127 0.026 -15.736 -16.341 1.00 0.00 H +ATOM 2089 2HH2 ARG A 127 -1.643 -15.257 -16.126 1.00 0.00 H +ATOM 2090 N ASP A 128 2.991 -9.161 -17.870 1.00 0.00 N +ATOM 2091 CA ASP A 128 2.188 -8.414 -18.819 1.00 0.00 C +ATOM 2092 C ASP A 128 3.015 -7.181 -19.165 1.00 0.00 C +ATOM 2093 O ASP A 128 2.616 -6.051 -18.889 1.00 0.00 O +ATOM 2094 CB ASP A 128 0.866 -8.053 -18.129 1.00 0.00 C +ATOM 2095 CG ASP A 128 -0.161 -7.438 -19.057 1.00 0.00 C +ATOM 2096 OD1 ASP A 128 -0.006 -7.503 -20.296 1.00 0.00 O +ATOM 2097 OD2 ASP A 128 -1.147 -6.892 -18.503 1.00 0.00 O +ATOM 2098 H ASP A 128 3.627 -8.662 -17.264 1.00 0.00 H +ATOM 2099 HA ASP A 128 1.996 -9.049 -19.684 1.00 0.00 H +ATOM 2100 1HB ASP A 128 0.430 -8.949 -17.686 1.00 0.00 H +ATOM 2101 2HB ASP A 128 1.058 -7.348 -17.320 1.00 0.00 H +ATOM 2102 N PRO A 129 4.226 -7.395 -19.731 1.00 0.00 N +ATOM 2103 CA PRO A 129 5.109 -6.314 -20.169 1.00 0.00 C +ATOM 2104 C PRO A 129 4.489 -5.026 -20.743 1.00 0.00 C +ATOM 2105 O PRO A 129 4.764 -3.952 -20.239 1.00 0.00 O +ATOM 2106 CB PRO A 129 5.948 -7.003 -21.263 1.00 0.00 C +ATOM 2107 CG PRO A 129 5.945 -8.464 -20.915 1.00 0.00 C +ATOM 2108 CD PRO A 129 4.830 -8.724 -19.941 1.00 0.00 C +ATOM 2109 HA PRO A 129 5.738 -5.995 -19.325 1.00 0.00 H +ATOM 2110 1HB PRO A 129 5.506 -6.812 -22.252 1.00 0.00 H +ATOM 2111 2HB PRO A 129 6.964 -6.583 -21.279 1.00 0.00 H +ATOM 2112 1HG PRO A 129 5.812 -9.071 -21.823 1.00 0.00 H +ATOM 2113 2HG PRO A 129 6.913 -8.752 -20.479 1.00 0.00 H +ATOM 2114 1HD PRO A 129 4.109 -9.425 -20.387 1.00 0.00 H +ATOM 2115 2HD PRO A 129 5.245 -9.135 -19.009 1.00 0.00 H +ATOM 2116 N GLN A 130 3.696 -5.132 -21.807 1.00 0.00 N +ATOM 2117 CA GLN A 130 3.330 -3.943 -22.569 1.00 0.00 C +ATOM 2118 C GLN A 130 1.940 -3.380 -22.244 1.00 0.00 C +ATOM 2119 O GLN A 130 1.258 -2.836 -23.110 1.00 0.00 O +ATOM 2120 CB GLN A 130 3.517 -4.154 -24.087 1.00 0.00 C +ATOM 2121 CG GLN A 130 4.795 -4.886 -24.528 1.00 0.00 C +ATOM 2122 CD GLN A 130 6.113 -4.367 -23.934 1.00 0.00 C +ATOM 2123 OE1 GLN A 130 6.153 -3.534 -23.021 1.00 0.00 O +ATOM 2124 NE2 GLN A 130 7.210 -4.888 -24.463 1.00 0.00 N +ATOM 2125 H GLN A 130 3.341 -6.032 -22.098 1.00 0.00 H +ATOM 2126 HA GLN A 130 3.977 -3.122 -22.261 1.00 0.00 H +ATOM 2127 1HB GLN A 130 2.677 -4.726 -24.481 1.00 0.00 H +ATOM 2128 2HB GLN A 130 3.520 -3.188 -24.591 1.00 0.00 H +ATOM 2129 1HG GLN A 130 4.720 -5.934 -24.239 1.00 0.00 H +ATOM 2130 2HG GLN A 130 4.893 -4.803 -25.611 1.00 0.00 H +ATOM 2131 1HE2 GLN A 130 8.110 -4.602 -24.131 1.00 0.00 H +ATOM 2132 2HE2 GLN A 130 7.140 -5.567 -25.194 1.00 0.00 H +ATOM 2133 N SER A 131 1.541 -3.499 -20.974 1.00 0.00 N +ATOM 2134 CA SER A 131 0.605 -2.561 -20.361 1.00 0.00 C +ATOM 2135 C SER A 131 1.388 -1.294 -19.981 1.00 0.00 C +ATOM 2136 O SER A 131 0.791 -0.295 -19.554 1.00 0.00 O +ATOM 2137 CB SER A 131 -0.082 -3.172 -19.139 1.00 0.00 C +ATOM 2138 OG SER A 131 0.777 -4.049 -18.428 1.00 0.00 O +ATOM 2139 H SER A 131 1.903 -4.264 -20.423 1.00 0.00 H +ATOM 2140 HA SER A 131 -0.164 -2.311 -21.094 1.00 0.00 H +ATOM 2141 1HB SER A 131 -0.412 -2.376 -18.472 1.00 0.00 H +ATOM 2142 2HB SER A 131 -0.968 -3.720 -19.457 1.00 0.00 H +ATOM 2143 HG SER A 131 1.611 -4.046 -18.903 1.00 0.00 H +ATOM 2144 N GLY A 132 2.724 -1.359 -20.153 1.00 0.00 N +ATOM 2145 CA GLY A 132 3.627 -0.240 -20.001 1.00 0.00 C +ATOM 2146 C GLY A 132 3.926 0.067 -18.541 1.00 0.00 C +ATOM 2147 O GLY A 132 4.341 1.179 -18.207 1.00 0.00 O +ATOM 2148 H GLY A 132 3.099 -2.262 -20.404 1.00 0.00 H +ATOM 2149 1HA GLY A 132 4.561 -0.453 -20.521 1.00 0.00 H +ATOM 2150 2HA GLY A 132 3.193 0.643 -20.470 1.00 0.00 H +ATOM 2151 N ILE A 133 3.704 -0.916 -17.663 1.00 0.00 N +ATOM 2152 CA ILE A 133 3.998 -0.763 -16.254 1.00 0.00 C +ATOM 2153 C ILE A 133 4.976 -1.885 -15.849 1.00 0.00 C +ATOM 2154 O ILE A 133 4.755 -3.067 -16.148 1.00 0.00 O +ATOM 2155 CB ILE A 133 2.686 -0.724 -15.403 1.00 0.00 C +ATOM 2156 CG1 ILE A 133 2.872 0.176 -14.185 1.00 0.00 C +ATOM 2157 CG2 ILE A 133 2.203 -2.122 -15.014 1.00 0.00 C +ATOM 2158 CD1 ILE A 133 2.061 -0.228 -12.962 1.00 0.00 C +ATOM 2159 H ILE A 133 3.321 -1.790 -17.994 1.00 0.00 H +ATOM 2160 HA ILE A 133 4.526 0.180 -16.111 1.00 0.00 H +ATOM 2161 HB ILE A 133 1.895 -0.242 -15.976 1.00 0.00 H +ATOM 2162 1HG1 ILE A 133 3.923 0.186 -13.897 1.00 0.00 H +ATOM 2163 2HG1 ILE A 133 2.595 1.198 -14.442 1.00 0.00 H +ATOM 2164 1HG2 ILE A 133 1.290 -2.041 -14.425 1.00 0.00 H +ATOM 2165 2HG2 ILE A 133 2.002 -2.701 -15.915 1.00 0.00 H +ATOM 2166 3HG2 ILE A 133 2.971 -2.623 -14.426 1.00 0.00 H +ATOM 2167 1HD1 ILE A 133 2.258 0.470 -12.148 1.00 0.00 H +ATOM 2168 2HD1 ILE A 133 0.999 -0.208 -13.207 1.00 0.00 H +ATOM 2169 3HD1 ILE A 133 2.344 -1.233 -12.654 1.00 0.00 H +ATOM 2170 N TYR A 134 6.081 -1.500 -15.201 1.00 0.00 N +ATOM 2171 CA TYR A 134 7.049 -2.463 -14.656 1.00 0.00 C +ATOM 2172 C TYR A 134 7.906 -1.803 -13.575 1.00 0.00 C +ATOM 2173 O TYR A 134 7.943 -0.587 -13.446 1.00 0.00 O +ATOM 2174 CB TYR A 134 7.937 -3.039 -15.770 1.00 0.00 C +ATOM 2175 CG TYR A 134 8.900 -2.022 -16.318 1.00 0.00 C +ATOM 2176 CD1 TYR A 134 8.461 -1.022 -17.198 1.00 0.00 C +ATOM 2177 CD2 TYR A 134 10.253 -2.039 -15.955 1.00 0.00 C +ATOM 2178 CE1 TYR A 134 9.341 -0.073 -17.699 1.00 0.00 C +ATOM 2179 CE2 TYR A 134 11.135 -1.092 -16.447 1.00 0.00 C +ATOM 2180 CZ TYR A 134 10.674 -0.114 -17.314 1.00 0.00 C +ATOM 2181 OH TYR A 134 11.541 0.820 -17.815 1.00 0.00 O +ATOM 2182 H TYR A 134 6.252 -0.512 -15.085 1.00 0.00 H +ATOM 2183 HA TYR A 134 6.499 -3.283 -14.195 1.00 0.00 H +ATOM 2184 1HB TYR A 134 8.501 -3.889 -15.383 1.00 0.00 H +ATOM 2185 2HB TYR A 134 7.309 -3.406 -16.582 1.00 0.00 H +ATOM 2186 HD1 TYR A 134 7.414 -0.981 -17.499 1.00 0.00 H +ATOM 2187 HD2 TYR A 134 10.626 -2.807 -15.277 1.00 0.00 H +ATOM 2188 HE1 TYR A 134 8.981 0.696 -18.382 1.00 0.00 H +ATOM 2189 HE2 TYR A 134 12.184 -1.119 -16.152 1.00 0.00 H +ATOM 2190 HH TYR A 134 12.422 0.656 -17.468 1.00 0.00 H +ATOM 2191 N LEU A 135 8.584 -2.631 -12.782 1.00 0.00 N +ATOM 2192 CA LEU A 135 9.495 -2.154 -11.752 1.00 0.00 C +ATOM 2193 C LEU A 135 10.906 -2.493 -12.240 1.00 0.00 C +ATOM 2194 O LEU A 135 11.294 -3.664 -12.280 1.00 0.00 O +ATOM 2195 CB LEU A 135 9.165 -2.810 -10.405 1.00 0.00 C +ATOM 2196 CG LEU A 135 9.821 -2.159 -9.195 1.00 0.00 C +ATOM 2197 CD1 LEU A 135 9.403 -0.705 -9.022 1.00 0.00 C +ATOM 2198 CD2 LEU A 135 9.497 -2.957 -7.948 1.00 0.00 C +ATOM 2199 H LEU A 135 8.457 -3.626 -12.905 1.00 0.00 H +ATOM 2200 HA LEU A 135 9.374 -1.076 -11.656 1.00 0.00 H +ATOM 2201 1HB LEU A 135 8.086 -2.782 -10.261 1.00 0.00 H +ATOM 2202 2HB LEU A 135 9.479 -3.854 -10.440 1.00 0.00 H +ATOM 2203 HG LEU A 135 10.902 -2.134 -9.337 1.00 0.00 H +ATOM 2204 1HD1 LEU A 135 9.898 -0.286 -8.146 1.00 0.00 H +ATOM 2205 2HD1 LEU A 135 9.689 -0.136 -9.906 1.00 0.00 H +ATOM 2206 3HD1 LEU A 135 8.323 -0.651 -8.889 1.00 0.00 H +ATOM 2207 1HD2 LEU A 135 9.968 -2.489 -7.084 1.00 0.00 H +ATOM 2208 2HD2 LEU A 135 8.416 -2.982 -7.803 1.00 0.00 H +ATOM 2209 3HD2 LEU A 135 9.871 -3.974 -8.060 1.00 0.00 H +ATOM 2210 N GLN A 136 11.657 -1.461 -12.640 1.00 0.00 N +ATOM 2211 CA GLN A 136 13.041 -1.614 -13.051 1.00 0.00 C +ATOM 2212 C GLN A 136 13.819 -2.347 -11.919 1.00 0.00 C +ATOM 2213 O GLN A 136 13.624 -2.081 -10.726 1.00 0.00 O +ATOM 2214 CB GLN A 136 13.665 -0.236 -13.417 1.00 0.00 C +ATOM 2215 CG GLN A 136 14.777 -0.294 -14.464 1.00 0.00 C +ATOM 2216 CD GLN A 136 15.318 1.074 -14.929 1.00 0.00 C +ATOM 2217 OE1 GLN A 136 15.077 1.483 -16.069 1.00 0.00 O +ATOM 2218 NE2 GLN A 136 16.074 1.760 -14.071 1.00 0.00 N +ATOM 2219 H GLN A 136 11.239 -0.542 -12.653 1.00 0.00 H +ATOM 2220 HA GLN A 136 13.070 -2.252 -13.934 1.00 0.00 H +ATOM 2221 1HB GLN A 136 12.887 0.426 -13.796 1.00 0.00 H +ATOM 2222 2HB GLN A 136 14.078 0.225 -12.520 1.00 0.00 H +ATOM 2223 1HG GLN A 136 15.623 -0.843 -14.051 1.00 0.00 H +ATOM 2224 2HG GLN A 136 14.399 -0.801 -15.352 1.00 0.00 H +ATOM 2225 1HE2 GLN A 136 16.446 2.652 -14.333 1.00 0.00 H +ATOM 2226 2HE2 GLN A 136 16.270 1.384 -13.165 1.00 0.00 H +ATOM 2227 N ARG A 137 14.635 -3.319 -12.325 1.00 0.00 N +ATOM 2228 CA ARG A 137 15.623 -4.027 -11.511 1.00 0.00 C +ATOM 2229 C ARG A 137 16.142 -3.293 -10.287 1.00 0.00 C +ATOM 2230 O ARG A 137 15.964 -3.717 -9.137 1.00 0.00 O +ATOM 2231 CB ARG A 137 16.822 -4.296 -12.412 1.00 0.00 C +ATOM 2232 CG ARG A 137 16.655 -5.482 -13.326 1.00 0.00 C +ATOM 2233 CD ARG A 137 17.906 -5.620 -14.157 1.00 0.00 C +ATOM 2234 NE ARG A 137 17.924 -6.937 -14.724 1.00 0.00 N +ATOM 2235 CZ ARG A 137 18.919 -7.440 -15.404 1.00 0.00 C +ATOM 2236 NH1 ARG A 137 20.015 -6.750 -15.648 1.00 0.00 N +ATOM 2237 NH2 ARG A 137 18.810 -8.667 -15.831 1.00 0.00 N +ATOM 2238 H ARG A 137 14.533 -3.565 -13.299 1.00 0.00 H +ATOM 2239 HA ARG A 137 15.184 -4.965 -11.172 1.00 0.00 H +ATOM 2240 1HB ARG A 137 17.016 -3.421 -13.030 1.00 0.00 H +ATOM 2241 2HB ARG A 137 17.707 -4.467 -11.799 1.00 0.00 H +ATOM 2242 1HG ARG A 137 16.502 -6.382 -12.730 1.00 0.00 H +ATOM 2243 2HG ARG A 137 15.792 -5.324 -13.973 1.00 0.00 H +ATOM 2244 1HD ARG A 137 17.901 -4.872 -14.948 1.00 0.00 H +ATOM 2245 2HD ARG A 137 18.781 -5.473 -13.524 1.00 0.00 H +ATOM 2246 HE ARG A 137 17.108 -7.518 -14.589 1.00 0.00 H +ATOM 2247 1HH1 ARG A 137 20.103 -5.804 -15.307 1.00 0.00 H +ATOM 2248 2HH1 ARG A 137 20.767 -7.168 -16.177 1.00 0.00 H +ATOM 2249 1HH2 ARG A 137 17.973 -9.198 -15.634 1.00 0.00 H +ATOM 2250 2HH2 ARG A 137 19.561 -9.086 -16.359 1.00 0.00 H +ATOM 2251 N GLY A 138 16.804 -2.165 -10.552 1.00 0.00 N +ATOM 2252 CA GLY A 138 17.296 -1.302 -9.513 1.00 0.00 C +ATOM 2253 C GLY A 138 16.267 -1.061 -8.463 1.00 0.00 C +ATOM 2254 O GLY A 138 16.453 -1.386 -7.307 1.00 0.00 O +ATOM 2255 H GLY A 138 16.962 -1.913 -11.517 1.00 0.00 H +ATOM 2256 1HA GLY A 138 18.180 -1.748 -9.058 1.00 0.00 H +ATOM 2257 2HA GLY A 138 17.602 -0.350 -9.945 1.00 0.00 H +ATOM 2258 N LEU A 139 15.144 -0.470 -8.863 1.00 0.00 N +ATOM 2259 CA LEU A 139 14.143 -0.162 -7.902 1.00 0.00 C +ATOM 2260 C LEU A 139 13.598 -1.384 -7.233 1.00 0.00 C +ATOM 2261 O LEU A 139 13.144 -1.278 -6.108 1.00 0.00 O +ATOM 2262 CB LEU A 139 13.005 0.709 -8.473 1.00 0.00 C +ATOM 2263 CG LEU A 139 13.298 2.216 -8.567 1.00 0.00 C +ATOM 2264 CD1 LEU A 139 13.818 2.750 -7.239 1.00 0.00 C +ATOM 2265 CD2 LEU A 139 14.282 2.529 -9.694 1.00 0.00 C +ATOM 2266 H LEU A 139 14.985 -0.235 -9.832 1.00 0.00 H +ATOM 2267 HA LEU A 139 14.605 0.398 -7.089 1.00 0.00 H +ATOM 2268 1HB LEU A 139 12.767 0.356 -9.475 1.00 0.00 H +ATOM 2269 2HB LEU A 139 12.122 0.583 -7.847 1.00 0.00 H +ATOM 2270 HG LEU A 139 12.371 2.756 -8.761 1.00 0.00 H +ATOM 2271 1HD1 LEU A 139 14.018 3.818 -7.329 1.00 0.00 H +ATOM 2272 2HD1 LEU A 139 13.069 2.587 -6.464 1.00 0.00 H +ATOM 2273 3HD1 LEU A 139 14.737 2.230 -6.973 1.00 0.00 H +ATOM 2274 1HD2 LEU A 139 14.464 3.603 -9.730 1.00 0.00 H +ATOM 2275 2HD2 LEU A 139 15.221 2.007 -9.512 1.00 0.00 H +ATOM 2276 3HD2 LEU A 139 13.862 2.200 -10.645 1.00 0.00 H +ATOM 2277 N ILE A 140 13.570 -2.529 -7.924 1.00 0.00 N +ATOM 2278 CA ILE A 140 13.024 -3.706 -7.258 1.00 0.00 C +ATOM 2279 C ILE A 140 13.980 -4.206 -6.206 1.00 0.00 C +ATOM 2280 O ILE A 140 13.523 -4.655 -5.163 1.00 0.00 O +ATOM 2281 CB ILE A 140 12.508 -4.849 -8.159 1.00 0.00 C +ATOM 2282 CG1 ILE A 140 12.133 -6.129 -7.323 1.00 0.00 C +ATOM 2283 CG2 ILE A 140 13.497 -5.201 -9.227 1.00 0.00 C +ATOM 2284 CD1 ILE A 140 11.057 -6.010 -6.220 1.00 0.00 C +ATOM 2285 H ILE A 140 13.904 -2.612 -8.874 1.00 0.00 H +ATOM 2286 HA ILE A 140 12.166 -3.400 -6.661 1.00 0.00 H +ATOM 2287 HB ILE A 140 11.579 -4.543 -8.639 1.00 0.00 H +ATOM 2288 1HG1 ILE A 140 11.778 -6.911 -7.994 1.00 0.00 H +ATOM 2289 2HG1 ILE A 140 13.023 -6.509 -6.821 1.00 0.00 H +ATOM 2290 1HG2 ILE A 140 13.099 -6.009 -9.841 1.00 0.00 H +ATOM 2291 2HG2 ILE A 140 13.683 -4.329 -9.853 1.00 0.00 H +ATOM 2292 3HG2 ILE A 140 14.432 -5.522 -8.767 1.00 0.00 H +ATOM 2293 1HD1 ILE A 140 10.919 -6.980 -5.740 1.00 0.00 H +ATOM 2294 2HD1 ILE A 140 11.377 -5.280 -5.475 1.00 0.00 H +ATOM 2295 3HD1 ILE A 140 10.116 -5.688 -6.663 1.00 0.00 H +ATOM 2296 N ILE A 141 15.293 -4.066 -6.443 1.00 0.00 N +ATOM 2297 CA ILE A 141 16.231 -4.301 -5.364 1.00 0.00 C +ATOM 2298 C ILE A 141 15.859 -3.453 -4.140 1.00 0.00 C +ATOM 2299 O ILE A 141 15.760 -3.974 -3.011 1.00 0.00 O +ATOM 2300 CB ILE A 141 17.662 -4.035 -5.787 1.00 0.00 C +ATOM 2301 CG1 ILE A 141 18.116 -5.203 -6.656 1.00 0.00 C +ATOM 2302 CG2 ILE A 141 18.551 -3.768 -4.557 1.00 0.00 C +ATOM 2303 CD1 ILE A 141 18.026 -6.534 -5.937 1.00 0.00 C +ATOM 2304 H ILE A 141 15.645 -3.802 -7.352 1.00 0.00 H +ATOM 2305 HA ILE A 141 16.158 -5.345 -5.064 1.00 0.00 H +ATOM 2306 HB ILE A 141 17.693 -3.164 -6.440 1.00 0.00 H +ATOM 2307 1HG1 ILE A 141 17.503 -5.246 -7.556 1.00 0.00 H +ATOM 2308 2HG1 ILE A 141 19.147 -5.043 -6.972 1.00 0.00 H +ATOM 2309 1HG2 ILE A 141 19.575 -3.581 -4.882 1.00 0.00 H +ATOM 2310 2HG2 ILE A 141 18.176 -2.899 -4.019 1.00 0.00 H +ATOM 2311 3HG2 ILE A 141 18.533 -4.637 -3.899 1.00 0.00 H +ATOM 2312 1HD1 ILE A 141 18.361 -7.331 -6.601 1.00 0.00 H +ATOM 2313 2HD1 ILE A 141 18.659 -6.512 -5.049 1.00 0.00 H +ATOM 2314 3HD1 ILE A 141 16.993 -6.719 -5.642 1.00 0.00 H +ATOM 2315 N PHE A 142 15.607 -2.162 -4.359 1.00 0.00 N +ATOM 2316 CA PHE A 142 15.386 -1.278 -3.241 1.00 0.00 C +ATOM 2317 C PHE A 142 14.034 -1.563 -2.596 1.00 0.00 C +ATOM 2318 O PHE A 142 13.867 -1.430 -1.356 1.00 0.00 O +ATOM 2319 CB PHE A 142 15.615 0.176 -3.648 1.00 0.00 C +ATOM 2320 CG PHE A 142 17.033 0.460 -4.064 1.00 0.00 C +ATOM 2321 CD1 PHE A 142 18.081 0.379 -3.141 1.00 0.00 C +ATOM 2322 CD2 PHE A 142 17.353 0.774 -5.389 1.00 0.00 C +ATOM 2323 CE1 PHE A 142 19.376 0.632 -3.523 1.00 0.00 C +ATOM 2324 CE2 PHE A 142 18.649 1.028 -5.756 1.00 0.00 C +ATOM 2325 CZ PHE A 142 19.651 0.943 -4.827 1.00 0.00 C +ATOM 2326 H PHE A 142 15.567 -1.788 -5.297 1.00 0.00 H +ATOM 2327 HA PHE A 142 16.095 -1.534 -2.453 1.00 0.00 H +ATOM 2328 1HB PHE A 142 14.955 0.431 -4.476 1.00 0.00 H +ATOM 2329 2HB PHE A 142 15.362 0.831 -2.815 1.00 0.00 H +ATOM 2330 HD1 PHE A 142 17.860 0.111 -2.107 1.00 0.00 H +ATOM 2331 HD2 PHE A 142 16.553 0.842 -6.128 1.00 0.00 H +ATOM 2332 HE1 PHE A 142 20.179 0.586 -2.788 1.00 0.00 H +ATOM 2333 HE2 PHE A 142 18.883 1.298 -6.786 1.00 0.00 H +ATOM 2334 HZ PHE A 142 20.678 1.127 -5.139 1.00 0.00 H +ATOM 2335 N ALA A 143 13.066 -2.009 -3.410 1.00 0.00 N +ATOM 2336 CA ALA A 143 11.784 -2.410 -2.859 1.00 0.00 C +ATOM 2337 C ALA A 143 11.991 -3.633 -1.984 1.00 0.00 C +ATOM 2338 O ALA A 143 11.497 -3.730 -0.844 1.00 0.00 O +ATOM 2339 CB ALA A 143 10.753 -2.709 -3.944 1.00 0.00 C +ATOM 2340 H ALA A 143 13.214 -2.070 -4.407 1.00 0.00 H +ATOM 2341 HA ALA A 143 11.404 -1.588 -2.253 1.00 0.00 H +ATOM 2342 1HB ALA A 143 9.812 -3.005 -3.480 1.00 0.00 H +ATOM 2343 2HB ALA A 143 10.594 -1.818 -4.551 1.00 0.00 H +ATOM 2344 3HB ALA A 143 11.115 -3.519 -4.577 1.00 0.00 H +ATOM 2345 N LEU A 144 12.753 -4.575 -2.525 1.00 0.00 N +ATOM 2346 CA LEU A 144 13.036 -5.787 -1.833 1.00 0.00 C +ATOM 2347 C LEU A 144 13.787 -5.549 -0.461 1.00 0.00 C +ATOM 2348 O LEU A 144 13.441 -6.139 0.568 1.00 0.00 O +ATOM 2349 CB LEU A 144 13.729 -6.719 -2.790 1.00 0.00 C +ATOM 2350 CG LEU A 144 13.995 -8.114 -2.266 1.00 0.00 C +ATOM 2351 CD1 LEU A 144 12.729 -8.868 -1.879 1.00 0.00 C +ATOM 2352 CD2 LEU A 144 14.805 -8.863 -3.332 1.00 0.00 C +ATOM 2353 H LEU A 144 13.142 -4.433 -3.447 1.00 0.00 H +ATOM 2354 HA LEU A 144 12.094 -6.227 -1.506 1.00 0.00 H +ATOM 2355 1HB LEU A 144 13.119 -6.811 -3.687 1.00 0.00 H +ATOM 2356 2HB LEU A 144 14.686 -6.280 -3.071 1.00 0.00 H +ATOM 2357 HG LEU A 144 14.559 -8.051 -1.335 1.00 0.00 H +ATOM 2358 1HD1 LEU A 144 12.994 -9.860 -1.512 1.00 0.00 H +ATOM 2359 2HD1 LEU A 144 12.204 -8.321 -1.096 1.00 0.00 H +ATOM 2360 3HD1 LEU A 144 12.083 -8.966 -2.751 1.00 0.00 H +ATOM 2361 1HD2 LEU A 144 15.016 -9.875 -2.984 1.00 0.00 H +ATOM 2362 2HD2 LEU A 144 14.232 -8.910 -4.258 1.00 0.00 H +ATOM 2363 3HD2 LEU A 144 15.744 -8.339 -3.512 1.00 0.00 H +ATOM 2364 N ILE A 145 14.778 -4.654 -0.456 1.00 0.00 N +ATOM 2365 CA ILE A 145 15.456 -4.271 0.778 1.00 0.00 C +ATOM 2366 C ILE A 145 14.456 -3.656 1.794 1.00 0.00 C +ATOM 2367 O ILE A 145 14.517 -3.953 2.986 1.00 0.00 O +ATOM 2368 CB ILE A 145 16.641 -3.309 0.469 1.00 0.00 C +ATOM 2369 CG1 ILE A 145 17.802 -4.055 -0.198 1.00 0.00 C +ATOM 2370 CG2 ILE A 145 17.200 -2.668 1.716 1.00 0.00 C +ATOM 2371 CD1 ILE A 145 18.862 -3.150 -0.760 1.00 0.00 C +ATOM 2372 H ILE A 145 15.065 -4.232 -1.327 1.00 0.00 H +ATOM 2373 HA ILE A 145 15.851 -5.170 1.249 1.00 0.00 H +ATOM 2374 HB ILE A 145 16.300 -2.514 -0.194 1.00 0.00 H +ATOM 2375 1HG1 ILE A 145 18.271 -4.720 0.526 1.00 0.00 H +ATOM 2376 2HG1 ILE A 145 17.419 -4.674 -1.010 1.00 0.00 H +ATOM 2377 1HG2 ILE A 145 18.023 -2.007 1.447 1.00 0.00 H +ATOM 2378 2HG2 ILE A 145 16.419 -2.092 2.210 1.00 0.00 H +ATOM 2379 3HG2 ILE A 145 17.562 -3.443 2.392 1.00 0.00 H +ATOM 2380 1HD1 ILE A 145 19.650 -3.750 -1.216 1.00 0.00 H +ATOM 2381 2HD1 ILE A 145 18.421 -2.497 -1.515 1.00 0.00 H +ATOM 2382 3HD1 ILE A 145 19.285 -2.545 0.040 1.00 0.00 H +ATOM 2383 N TRP A 146 13.548 -2.798 1.309 1.00 0.00 N +ATOM 2384 CA TRP A 146 12.535 -2.162 2.152 1.00 0.00 C +ATOM 2385 C TRP A 146 11.662 -3.228 2.845 1.00 0.00 C +ATOM 2386 O TRP A 146 11.397 -3.172 4.046 1.00 0.00 O +ATOM 2387 CB TRP A 146 11.660 -1.201 1.320 1.00 0.00 C +ATOM 2388 CG TRP A 146 11.018 -0.145 2.175 1.00 0.00 C +ATOM 2389 CD1 TRP A 146 9.671 0.050 2.425 1.00 0.00 C +ATOM 2390 CD2 TRP A 146 11.716 0.842 2.926 1.00 0.00 C +ATOM 2391 NE1 TRP A 146 9.516 1.114 3.299 1.00 0.00 N +ATOM 2392 CE2 TRP A 146 10.758 1.605 3.618 1.00 0.00 C +ATOM 2393 CE3 TRP A 146 13.078 1.158 3.074 1.00 0.00 C +ATOM 2394 CZ2 TRP A 146 11.116 2.662 4.445 1.00 0.00 C +ATOM 2395 CZ3 TRP A 146 13.435 2.215 3.906 1.00 0.00 C +ATOM 2396 CH2 TRP A 146 12.453 2.957 4.572 1.00 0.00 C +ATOM 2397 H TRP A 146 13.569 -2.588 0.321 1.00 0.00 H +ATOM 2398 HA TRP A 146 13.042 -1.587 2.927 1.00 0.00 H +ATOM 2399 1HB TRP A 146 12.273 -0.721 0.556 1.00 0.00 H +ATOM 2400 2HB TRP A 146 10.884 -1.768 0.807 1.00 0.00 H +ATOM 2401 HD1 TRP A 146 8.866 -0.545 1.998 1.00 0.00 H +ATOM 2402 HE1 TRP A 146 8.636 1.469 3.643 1.00 0.00 H +ATOM 2403 HE3 TRP A 146 13.840 0.583 2.548 1.00 0.00 H +ATOM 2404 HZ2 TRP A 146 10.374 3.251 4.985 1.00 0.00 H +ATOM 2405 HZ3 TRP A 146 14.492 2.454 4.029 1.00 0.00 H +ATOM 2406 HH2 TRP A 146 12.759 3.789 5.207 1.00 0.00 H +ATOM 2407 N ILE A 147 11.278 -4.238 2.072 1.00 0.00 N +ATOM 2408 CA ILE A 147 10.459 -5.341 2.569 1.00 0.00 C +ATOM 2409 C ILE A 147 11.230 -6.150 3.610 1.00 0.00 C +ATOM 2410 O ILE A 147 10.708 -6.496 4.637 1.00 0.00 O +ATOM 2411 CB ILE A 147 9.994 -6.230 1.389 1.00 0.00 C +ATOM 2412 CG1 ILE A 147 9.009 -5.463 0.486 1.00 0.00 C +ATOM 2413 CG2 ILE A 147 9.330 -7.493 1.883 1.00 0.00 C +ATOM 2414 CD1 ILE A 147 8.755 -6.170 -0.828 1.00 0.00 C +ATOM 2415 H ILE A 147 11.567 -4.237 1.104 1.00 0.00 H +ATOM 2416 HA ILE A 147 9.582 -4.925 3.063 1.00 0.00 H +ATOM 2417 HB ILE A 147 10.854 -6.506 0.780 1.00 0.00 H +ATOM 2418 1HG1 ILE A 147 8.061 -5.336 1.008 1.00 0.00 H +ATOM 2419 2HG1 ILE A 147 9.403 -4.468 0.280 1.00 0.00 H +ATOM 2420 1HG2 ILE A 147 9.014 -8.095 1.031 1.00 0.00 H +ATOM 2421 2HG2 ILE A 147 10.035 -8.062 2.487 1.00 0.00 H +ATOM 2422 3HG2 ILE A 147 8.460 -7.234 2.487 1.00 0.00 H +ATOM 2423 1HD1 ILE A 147 8.055 -5.587 -1.426 1.00 0.00 H +ATOM 2424 2HD1 ILE A 147 9.695 -6.277 -1.371 1.00 0.00 H +ATOM 2425 3HD1 ILE A 147 8.334 -7.156 -0.635 1.00 0.00 H +ATOM 2426 N VAL A 148 12.502 -6.441 3.329 1.00 0.00 N +ATOM 2427 CA VAL A 148 13.359 -7.127 4.287 1.00 0.00 C +ATOM 2428 C VAL A 148 13.481 -6.327 5.600 1.00 0.00 C +ATOM 2429 O VAL A 148 13.473 -6.904 6.692 1.00 0.00 O +ATOM 2430 CB VAL A 148 14.749 -7.401 3.696 1.00 0.00 C +ATOM 2431 CG1 VAL A 148 15.671 -8.006 4.744 1.00 0.00 C +ATOM 2432 CG2 VAL A 148 14.635 -8.366 2.510 1.00 0.00 C +ATOM 2433 H VAL A 148 12.881 -6.179 2.430 1.00 0.00 H +ATOM 2434 HA VAL A 148 12.900 -8.083 4.539 1.00 0.00 H +ATOM 2435 HB VAL A 148 15.182 -6.460 3.357 1.00 0.00 H +ATOM 2436 1HG1 VAL A 148 16.651 -8.192 4.302 1.00 0.00 H +ATOM 2437 2HG1 VAL A 148 15.776 -7.314 5.579 1.00 0.00 H +ATOM 2438 3HG1 VAL A 148 15.250 -8.946 5.099 1.00 0.00 H +ATOM 2439 1HG2 VAL A 148 15.626 -8.554 2.097 1.00 0.00 H +ATOM 2440 2HG2 VAL A 148 14.198 -9.306 2.847 1.00 0.00 H +ATOM 2441 3HG2 VAL A 148 14.000 -7.925 1.742 1.00 0.00 H +ATOM 2442 N ALA A 149 13.624 -5.001 5.487 1.00 0.00 N +ATOM 2443 CA ALA A 149 13.775 -4.133 6.653 1.00 0.00 C +ATOM 2444 C ALA A 149 12.559 -4.314 7.577 1.00 0.00 C +ATOM 2445 O ALA A 149 12.705 -4.515 8.802 1.00 0.00 O +ATOM 2446 CB ALA A 149 13.865 -2.682 6.230 1.00 0.00 C +ATOM 2447 H ALA A 149 13.628 -4.590 4.565 1.00 0.00 H +ATOM 2448 HA ALA A 149 14.698 -4.408 7.163 1.00 0.00 H +ATOM 2449 1HB ALA A 149 13.977 -2.051 7.112 1.00 0.00 H +ATOM 2450 2HB ALA A 149 14.727 -2.546 5.576 1.00 0.00 H +ATOM 2451 3HB ALA A 149 12.958 -2.401 5.697 1.00 0.00 H +ATOM 2452 N GLY A 150 11.376 -4.237 6.959 1.00 0.00 N +ATOM 2453 CA GLY A 150 10.098 -4.395 7.645 1.00 0.00 C +ATOM 2454 C GLY A 150 9.979 -5.766 8.285 1.00 0.00 C +ATOM 2455 O GLY A 150 9.632 -5.864 9.467 1.00 0.00 O +ATOM 2456 H GLY A 150 11.383 -4.061 5.965 1.00 0.00 H +ATOM 2457 1HA GLY A 150 9.998 -3.624 8.410 1.00 0.00 H +ATOM 2458 2HA GLY A 150 9.284 -4.250 6.935 1.00 0.00 H +ATOM 2459 N TRP A 151 10.343 -6.814 7.539 1.00 0.00 N +ATOM 2460 CA TRP A 151 10.147 -8.166 8.019 1.00 0.00 C +ATOM 2461 C TRP A 151 10.989 -8.449 9.284 1.00 0.00 C +ATOM 2462 O TRP A 151 10.527 -9.014 10.254 1.00 0.00 O +ATOM 2463 CB TRP A 151 10.466 -9.212 6.930 1.00 0.00 C +ATOM 2464 CG TRP A 151 10.058 -10.557 7.388 1.00 0.00 C +ATOM 2465 CD1 TRP A 151 10.862 -11.596 7.786 1.00 0.00 C +ATOM 2466 CD2 TRP A 151 8.711 -10.986 7.605 1.00 0.00 C +ATOM 2467 NE1 TRP A 151 10.098 -12.663 8.187 1.00 0.00 N +ATOM 2468 CE2 TRP A 151 8.771 -12.314 8.102 1.00 0.00 C +ATOM 2469 CE3 TRP A 151 7.451 -10.381 7.413 1.00 0.00 C +ATOM 2470 CZ2 TRP A 151 7.613 -13.046 8.416 1.00 0.00 C +ATOM 2471 CZ3 TRP A 151 6.312 -11.101 7.726 1.00 0.00 C +ATOM 2472 CH2 TRP A 151 6.399 -12.427 8.221 1.00 0.00 C +ATOM 2473 H TRP A 151 10.761 -6.670 6.630 1.00 0.00 H +ATOM 2474 HA TRP A 151 9.102 -8.284 8.303 1.00 0.00 H +ATOM 2475 1HB TRP A 151 9.940 -8.952 6.011 1.00 0.00 H +ATOM 2476 2HB TRP A 151 11.533 -9.196 6.712 1.00 0.00 H +ATOM 2477 HD1 TRP A 151 11.950 -11.578 7.784 1.00 0.00 H +ATOM 2478 HE1 TRP A 151 10.451 -13.558 8.494 1.00 0.00 H +ATOM 2479 HE3 TRP A 151 7.377 -9.364 7.027 1.00 0.00 H +ATOM 2480 HZ2 TRP A 151 7.658 -14.065 8.801 1.00 0.00 H +ATOM 2481 HZ3 TRP A 151 5.343 -10.623 7.582 1.00 0.00 H +ATOM 2482 HH2 TRP A 151 5.480 -12.965 8.452 1.00 0.00 H +ATOM 2483 N PHE A 152 12.255 -8.055 9.249 1.00 0.00 N +ATOM 2484 CA PHE A 152 13.160 -8.288 10.325 1.00 0.00 C +ATOM 2485 C PHE A 152 13.195 -7.097 11.273 1.00 0.00 C +ATOM 2486 O PHE A 152 13.997 -7.057 12.134 1.00 0.00 O +ATOM 2487 CB PHE A 152 14.542 -8.605 9.751 1.00 0.00 C +ATOM 2488 CG PHE A 152 14.605 -9.910 9.054 1.00 0.00 C +ATOM 2489 CD1 PHE A 152 14.714 -11.067 9.772 1.00 0.00 C +ATOM 2490 CD2 PHE A 152 14.521 -9.972 7.682 1.00 0.00 C +ATOM 2491 CE1 PHE A 152 14.782 -12.295 9.131 1.00 0.00 C +ATOM 2492 CE2 PHE A 152 14.561 -11.185 7.023 1.00 0.00 C +ATOM 2493 CZ PHE A 152 14.708 -12.356 7.747 1.00 0.00 C +ATOM 2494 H PHE A 152 12.584 -7.572 8.425 1.00 0.00 H +ATOM 2495 HA PHE A 152 12.801 -9.143 10.900 1.00 0.00 H +ATOM 2496 1HB PHE A 152 14.830 -7.826 9.047 1.00 0.00 H +ATOM 2497 2HB PHE A 152 15.277 -8.609 10.554 1.00 0.00 H +ATOM 2498 HD1 PHE A 152 14.748 -11.018 10.861 1.00 0.00 H +ATOM 2499 HD2 PHE A 152 14.407 -9.047 7.115 1.00 0.00 H +ATOM 2500 HE1 PHE A 152 14.892 -13.209 9.714 1.00 0.00 H +ATOM 2501 HE2 PHE A 152 14.479 -11.223 5.937 1.00 0.00 H +ATOM 2502 HZ PHE A 152 14.766 -13.318 7.239 1.00 0.00 H +ATOM 2503 N ASP A 153 12.272 -6.150 11.120 1.00 0.00 N +ATOM 2504 CA ASP A 153 12.144 -5.003 12.011 1.00 0.00 C +ATOM 2505 C ASP A 153 13.445 -4.276 12.193 1.00 0.00 C +ATOM 2506 O ASP A 153 13.898 -4.055 13.303 1.00 0.00 O +ATOM 2507 CB ASP A 153 11.550 -5.333 13.411 1.00 0.00 C +ATOM 2508 CG ASP A 153 11.031 -4.030 14.145 1.00 0.00 C +ATOM 2509 OD1 ASP A 153 10.690 -3.046 13.421 1.00 0.00 O +ATOM 2510 OD2 ASP A 153 11.007 -3.962 15.406 1.00 0.00 O +ATOM 2511 H ASP A 153 11.633 -6.243 10.343 1.00 0.00 H +ATOM 2512 HA ASP A 153 11.472 -4.279 11.549 1.00 0.00 H +ATOM 2513 1HB ASP A 153 10.726 -6.037 13.299 1.00 0.00 H +ATOM 2514 2HB ASP A 153 12.312 -5.814 14.025 1.00 0.00 H +ATOM 2515 N LEU A 154 14.023 -3.844 11.074 1.00 0.00 N +ATOM 2516 CA LEU A 154 15.277 -3.125 11.116 1.00 0.00 C +ATOM 2517 C LEU A 154 15.056 -1.635 11.464 1.00 0.00 C +ATOM 2518 O LEU A 154 15.983 -0.879 11.541 1.00 0.00 O +ATOM 2519 CB LEU A 154 16.030 -3.370 9.801 1.00 0.00 C +ATOM 2520 CG LEU A 154 16.365 -4.855 9.545 1.00 0.00 C +ATOM 2521 CD1 LEU A 154 17.150 -5.025 8.231 1.00 0.00 C +ATOM 2522 CD2 LEU A 154 17.125 -5.461 10.697 1.00 0.00 C +ATOM 2523 H LEU A 154 13.586 -4.019 10.181 1.00 0.00 H +ATOM 2524 HA LEU A 154 15.867 -3.505 11.949 1.00 0.00 H +ATOM 2525 1HB LEU A 154 15.421 -3.002 8.977 1.00 0.00 H +ATOM 2526 2HB LEU A 154 16.959 -2.800 9.821 1.00 0.00 H +ATOM 2527 HG LEU A 154 15.441 -5.418 9.410 1.00 0.00 H +ATOM 2528 1HD1 LEU A 154 17.373 -6.080 8.074 1.00 0.00 H +ATOM 2529 2HD1 LEU A 154 16.551 -4.654 7.399 1.00 0.00 H +ATOM 2530 3HD1 LEU A 154 18.081 -4.462 8.288 1.00 0.00 H +ATOM 2531 1HD2 LEU A 154 17.341 -6.507 10.480 1.00 0.00 H +ATOM 2532 2HD2 LEU A 154 18.060 -4.919 10.841 1.00 0.00 H +ATOM 2533 3HD2 LEU A 154 16.524 -5.395 11.604 1.00 0.00 H +ATOM 2534 N PHE A 155 13.814 -1.266 11.766 1.00 0.00 N +ATOM 2535 CA PHE A 155 13.387 0.109 12.027 1.00 0.00 C +ATOM 2536 C PHE A 155 13.159 0.419 13.490 1.00 0.00 C +ATOM 2537 O PHE A 155 13.308 -0.463 14.339 1.00 0.00 O +ATOM 2538 CB PHE A 155 12.072 0.342 11.316 1.00 0.00 C +ATOM 2539 CG PHE A 155 12.207 0.424 9.822 1.00 0.00 C +ATOM 2540 CD1 PHE A 155 13.134 1.291 9.237 1.00 0.00 C +ATOM 2541 CD2 PHE A 155 11.373 -0.328 8.998 1.00 0.00 C +ATOM 2542 CE1 PHE A 155 13.233 1.397 7.864 1.00 0.00 C +ATOM 2543 CE2 PHE A 155 11.473 -0.223 7.617 1.00 0.00 C +ATOM 2544 CZ PHE A 155 12.402 0.645 7.051 1.00 0.00 C +ATOM 2545 H PHE A 155 13.132 -2.011 11.812 1.00 0.00 H +ATOM 2546 HA PHE A 155 14.143 0.788 11.631 1.00 0.00 H +ATOM 2547 1HB PHE A 155 11.381 -0.466 11.555 1.00 0.00 H +ATOM 2548 2HB PHE A 155 11.626 1.269 11.673 1.00 0.00 H +ATOM 2549 HD1 PHE A 155 13.785 1.886 9.878 1.00 0.00 H +ATOM 2550 HD2 PHE A 155 10.645 -1.009 9.442 1.00 0.00 H +ATOM 2551 HE1 PHE A 155 13.966 2.073 7.422 1.00 0.00 H +ATOM 2552 HE2 PHE A 155 10.824 -0.820 6.976 1.00 0.00 H +ATOM 2553 HZ PHE A 155 12.472 0.734 5.967 1.00 0.00 H +ATOM 2554 N GLY A 156 12.797 1.687 13.756 1.00 0.00 N +ATOM 2555 CA GLY A 156 12.450 2.185 15.075 1.00 0.00 C +ATOM 2556 C GLY A 156 11.396 1.372 15.820 1.00 0.00 C +ATOM 2557 O GLY A 156 11.705 0.631 16.725 1.00 0.00 O +ATOM 2558 H GLY A 156 12.773 2.320 12.970 1.00 0.00 H +ATOM 2559 1HA GLY A 156 13.343 2.216 15.699 1.00 0.00 H +ATOM 2560 2HA GLY A 156 12.080 3.206 14.992 1.00 0.00 H +ATOM 2561 N MET A 157 10.136 1.525 15.442 1.00 0.00 N +ATOM 2562 CA MET A 157 9.049 0.928 16.186 1.00 0.00 C +ATOM 2563 C MET A 157 8.685 -0.422 15.603 1.00 0.00 C +ATOM 2564 O MET A 157 9.268 -0.822 14.633 1.00 0.00 O +ATOM 2565 CB MET A 157 7.849 1.879 16.250 1.00 0.00 C +ATOM 2566 CG MET A 157 6.919 1.987 15.032 1.00 0.00 C +ATOM 2567 SD MET A 157 5.221 2.488 15.537 1.00 0.00 S +ATOM 2568 CE MET A 157 5.555 4.014 16.445 1.00 0.00 C +ATOM 2569 H MET A 157 9.927 2.069 14.617 1.00 0.00 H +ATOM 2570 HA MET A 157 9.391 0.734 17.202 1.00 0.00 H +ATOM 2571 1HB MET A 157 7.205 1.596 17.082 1.00 0.00 H +ATOM 2572 2HB MET A 157 8.200 2.895 16.438 1.00 0.00 H +ATOM 2573 1HG MET A 157 7.318 2.722 14.334 1.00 0.00 H +ATOM 2574 2HG MET A 157 6.873 1.024 14.523 1.00 0.00 H +ATOM 2575 1HE MET A 157 4.617 4.432 16.811 1.00 0.00 H +ATOM 2576 2HE MET A 157 6.212 3.798 17.289 1.00 0.00 H +ATOM 2577 3HE MET A 157 6.039 4.733 15.783 1.00 0.00 H +ATOM 2578 N SER A 158 7.712 -1.114 16.208 1.00 0.00 N +ATOM 2579 CA SER A 158 7.184 -2.358 15.668 1.00 0.00 C +ATOM 2580 C SER A 158 6.538 -2.198 14.284 1.00 0.00 C +ATOM 2581 O SER A 158 5.947 -1.168 13.940 1.00 0.00 O +ATOM 2582 CB SER A 158 6.162 -2.943 16.610 1.00 0.00 C +ATOM 2583 OG SER A 158 6.737 -3.081 17.863 1.00 0.00 O +ATOM 2584 H SER A 158 7.334 -0.754 17.073 1.00 0.00 H +ATOM 2585 HA SER A 158 8.008 -3.065 15.559 1.00 0.00 H +ATOM 2586 1HB SER A 158 5.291 -2.290 16.654 1.00 0.00 H +ATOM 2587 2HB SER A 158 5.828 -3.908 16.230 1.00 0.00 H +ATOM 2588 HG SER A 158 7.638 -2.759 17.778 1.00 0.00 H +ATOM 2589 N MET A 159 6.668 -3.246 13.479 1.00 0.00 N +ATOM 2590 CA MET A 159 6.131 -3.225 12.144 1.00 0.00 C +ATOM 2591 C MET A 159 4.773 -3.898 12.197 1.00 0.00 C +ATOM 2592 O MET A 159 4.547 -4.846 12.958 1.00 0.00 O +ATOM 2593 CB MET A 159 7.080 -3.950 11.171 1.00 0.00 C +ATOM 2594 CG MET A 159 8.393 -3.212 10.927 1.00 0.00 C +ATOM 2595 SD MET A 159 8.215 -1.751 9.906 1.00 0.00 S +ATOM 2596 CE MET A 159 8.288 -0.504 11.209 1.00 0.00 C +ATOM 2597 H MET A 159 7.150 -4.073 13.802 1.00 0.00 H +ATOM 2598 HA MET A 159 6.032 -2.187 11.827 1.00 0.00 H +ATOM 2599 1HB MET A 159 7.314 -4.940 11.560 1.00 0.00 H +ATOM 2600 2HB MET A 159 6.583 -4.085 10.209 1.00 0.00 H +ATOM 2601 1HG MET A 159 8.821 -2.906 11.882 1.00 0.00 H +ATOM 2602 2HG MET A 159 9.101 -3.880 10.437 1.00 0.00 H +ATOM 2603 1HE MET A 159 8.193 0.489 10.768 1.00 0.00 H +ATOM 2604 2HE MET A 159 7.473 -0.668 11.916 1.00 0.00 H +ATOM 2605 3HE MET A 159 9.242 -0.579 11.732 1.00 0.00 H +ATOM 2606 N ALA A 160 3.851 -3.399 11.379 1.00 0.00 N +ATOM 2607 CA ALA A 160 2.554 -4.045 11.225 1.00 0.00 C +ATOM 2608 C ALA A 160 2.806 -5.172 10.227 1.00 0.00 C +ATOM 2609 O ALA A 160 2.717 -4.965 9.029 1.00 0.00 O +ATOM 2610 CB ALA A 160 1.534 -3.010 10.713 1.00 0.00 C +ATOM 2611 H ALA A 160 4.048 -2.559 10.854 1.00 0.00 H +ATOM 2612 HA ALA A 160 2.240 -4.412 12.203 1.00 0.00 H +ATOM 2613 1HB ALA A 160 0.561 -3.486 10.595 1.00 0.00 H +ATOM 2614 2HB ALA A 160 1.455 -2.192 11.429 1.00 0.00 H +ATOM 2615 3HB ALA A 160 1.865 -2.619 9.752 1.00 0.00 H +ATOM 2616 N ASN A 161 3.168 -6.355 10.739 1.00 0.00 N +ATOM 2617 CA ASN A 161 3.543 -7.489 9.892 1.00 0.00 C +ATOM 2618 C ASN A 161 2.358 -8.039 9.116 1.00 0.00 C +ATOM 2619 O ASN A 161 2.504 -8.438 7.961 1.00 0.00 O +ATOM 2620 CB ASN A 161 4.180 -8.630 10.669 1.00 0.00 C +ATOM 2621 CG ASN A 161 5.496 -8.232 11.317 1.00 0.00 C +ATOM 2622 OD1 ASN A 161 5.675 -8.424 12.513 1.00 0.00 O +ATOM 2623 ND2 ASN A 161 6.416 -7.682 10.540 1.00 0.00 N +ATOM 2624 H ASN A 161 3.181 -6.465 11.743 1.00 0.00 H +ATOM 2625 HA ASN A 161 4.275 -7.146 9.159 1.00 0.00 H +ATOM 2626 1HB ASN A 161 3.494 -8.969 11.446 1.00 0.00 H +ATOM 2627 2HB ASN A 161 4.358 -9.471 9.999 1.00 0.00 H +ATOM 2628 1HD2 ASN A 161 7.297 -7.406 10.927 1.00 0.00 H +ATOM 2629 2HD2 ASN A 161 6.232 -7.542 9.568 1.00 0.00 H +ATOM 2630 N GLY A 162 1.178 -7.980 9.735 1.00 0.00 N +ATOM 2631 CA GLY A 162 -0.035 -8.445 9.097 1.00 0.00 C +ATOM 2632 C GLY A 162 -0.434 -7.526 7.981 1.00 0.00 C +ATOM 2633 O GLY A 162 -0.757 -7.987 6.917 1.00 0.00 O +ATOM 2634 H GLY A 162 1.128 -7.602 10.671 1.00 0.00 H +ATOM 2635 1HA GLY A 162 0.120 -9.453 8.712 1.00 0.00 H +ATOM 2636 2HA GLY A 162 -0.834 -8.503 9.835 1.00 0.00 H +ATOM 2637 N ALA A 163 -0.426 -6.214 8.234 1.00 0.00 N +ATOM 2638 CA ALA A 163 -0.695 -5.246 7.183 1.00 0.00 C +ATOM 2639 C ALA A 163 0.283 -5.440 6.019 1.00 0.00 C +ATOM 2640 O ALA A 163 -0.100 -5.242 4.868 1.00 0.00 O +ATOM 2641 CB ALA A 163 -0.618 -3.805 7.684 1.00 0.00 C +ATOM 2642 H ALA A 163 -0.230 -5.884 9.168 1.00 0.00 H +ATOM 2643 HA ALA A 163 -1.706 -5.419 6.814 1.00 0.00 H +ATOM 2644 1HB ALA A 163 -0.827 -3.121 6.861 1.00 0.00 H +ATOM 2645 2HB ALA A 163 -1.353 -3.655 8.476 1.00 0.00 H +ATOM 2646 3HB ALA A 163 0.380 -3.608 8.074 1.00 0.00 H +ATOM 2647 N HIS A 164 1.559 -5.737 6.316 1.00 0.00 N +ATOM 2648 CA HIS A 164 2.560 -5.848 5.242 1.00 0.00 C +ATOM 2649 C HIS A 164 2.292 -7.043 4.343 1.00 0.00 C +ATOM 2650 O HIS A 164 2.331 -6.914 3.109 1.00 0.00 O +ATOM 2651 CB HIS A 164 3.982 -5.892 5.775 1.00 0.00 C +ATOM 2652 CG HIS A 164 4.491 -4.560 6.218 1.00 0.00 C +ATOM 2653 ND1 HIS A 164 5.507 -4.419 7.136 1.00 0.00 N +ATOM 2654 CD2 HIS A 164 4.106 -3.306 5.894 1.00 0.00 C +ATOM 2655 CE1 HIS A 164 5.763 -3.139 7.318 1.00 0.00 C +ATOM 2656 NE2 HIS A 164 4.913 -2.437 6.593 1.00 0.00 N +ATOM 2657 H HIS A 164 1.846 -5.886 7.272 1.00 0.00 H +ATOM 2658 HA HIS A 164 2.489 -4.980 4.587 1.00 0.00 H +ATOM 2659 1HB HIS A 164 4.032 -6.578 6.622 1.00 0.00 H +ATOM 2660 2HB HIS A 164 4.649 -6.275 5.003 1.00 0.00 H +ATOM 2661 HD2 HIS A 164 3.304 -3.033 5.208 1.00 0.00 H +ATOM 2662 HE1 HIS A 164 6.544 -2.730 7.959 1.00 0.00 H +ATOM 2663 HE2 HIS A 164 4.860 -1.429 6.555 1.00 0.00 H +ATOM 2664 N ILE A 165 2.031 -8.199 4.974 1.00 0.00 N +ATOM 2665 CA ILE A 165 1.845 -9.445 4.271 1.00 0.00 C +ATOM 2666 C ILE A 165 0.557 -9.324 3.450 1.00 0.00 C +ATOM 2667 O ILE A 165 0.525 -9.674 2.290 1.00 0.00 O +ATOM 2668 CB ILE A 165 1.695 -10.660 5.212 1.00 0.00 C +ATOM 2669 CG1 ILE A 165 2.894 -10.831 6.123 1.00 0.00 C +ATOM 2670 CG2 ILE A 165 1.550 -11.944 4.404 1.00 0.00 C +ATOM 2671 CD1 ILE A 165 2.571 -11.637 7.383 1.00 0.00 C +ATOM 2672 H ILE A 165 1.962 -8.187 5.981 1.00 0.00 H +ATOM 2673 HA ILE A 165 2.721 -9.624 3.649 1.00 0.00 H +ATOM 2674 HB ILE A 165 0.809 -10.531 5.834 1.00 0.00 H +ATOM 2675 1HG1 ILE A 165 3.694 -11.333 5.581 1.00 0.00 H +ATOM 2676 2HG1 ILE A 165 3.267 -9.851 6.421 1.00 0.00 H +ATOM 2677 1HG2 ILE A 165 1.446 -12.791 5.081 1.00 0.00 H +ATOM 2678 2HG2 ILE A 165 0.668 -11.876 3.769 1.00 0.00 H +ATOM 2679 3HG2 ILE A 165 2.434 -12.083 3.782 1.00 0.00 H +ATOM 2680 1HD1 ILE A 165 3.467 -11.727 7.997 1.00 0.00 H +ATOM 2681 2HD1 ILE A 165 1.791 -11.128 7.951 1.00 0.00 H +ATOM 2682 3HD1 ILE A 165 2.225 -12.630 7.100 1.00 0.00 H +ATOM 2683 N ALA A 166 -0.507 -8.815 4.072 1.00 0.00 N +ATOM 2684 CA ALA A 166 -1.782 -8.678 3.408 1.00 0.00 C +ATOM 2685 C ALA A 166 -1.742 -7.707 2.179 1.00 0.00 C +ATOM 2686 O ALA A 166 -2.297 -8.000 1.121 1.00 0.00 O +ATOM 2687 CB ALA A 166 -2.811 -8.269 4.415 1.00 0.00 C +ATOM 2688 H ALA A 166 -0.418 -8.517 5.033 1.00 0.00 H +ATOM 2689 HA ALA A 166 -2.049 -9.646 2.984 1.00 0.00 H +ATOM 2690 1HB ALA A 166 -3.779 -8.163 3.924 1.00 0.00 H +ATOM 2691 2HB ALA A 166 -2.881 -9.030 5.193 1.00 0.00 H +ATOM 2692 3HB ALA A 166 -2.525 -7.319 4.862 1.00 0.00 H +ATOM 2693 N GLY A 167 -1.041 -6.588 2.323 1.00 0.00 N +ATOM 2694 CA GLY A 167 -0.935 -5.569 1.294 1.00 0.00 C +ATOM 2695 C GLY A 167 -0.168 -6.142 0.118 1.00 0.00 C +ATOM 2696 O GLY A 167 -0.621 -6.066 -1.018 1.00 0.00 O +ATOM 2697 H GLY A 167 -0.560 -6.452 3.201 1.00 0.00 H +ATOM 2698 1HA GLY A 167 -1.934 -5.253 0.991 1.00 0.00 H +ATOM 2699 2HA GLY A 167 -0.430 -4.693 1.699 1.00 0.00 H +ATOM 2700 N LEU A 168 0.971 -6.783 0.405 1.00 0.00 N +ATOM 2701 CA LEU A 168 1.788 -7.406 -0.648 1.00 0.00 C +ATOM 2702 C LEU A 168 0.944 -8.437 -1.419 1.00 0.00 C +ATOM 2703 O LEU A 168 0.932 -8.418 -2.636 1.00 0.00 O +ATOM 2704 CB LEU A 168 3.027 -8.093 -0.065 1.00 0.00 C +ATOM 2705 CG LEU A 168 4.025 -8.754 -1.033 1.00 0.00 C +ATOM 2706 CD1 LEU A 168 4.516 -7.768 -2.092 1.00 0.00 C +ATOM 2707 CD2 LEU A 168 5.195 -9.274 -0.216 1.00 0.00 C +ATOM 2708 H LEU A 168 1.278 -6.842 1.365 1.00 0.00 H +ATOM 2709 HA LEU A 168 2.123 -6.626 -1.332 1.00 0.00 H +ATOM 2710 1HB LEU A 168 3.596 -7.360 0.504 1.00 0.00 H +ATOM 2711 2HB LEU A 168 2.701 -8.878 0.618 1.00 0.00 H +ATOM 2712 HG LEU A 168 3.536 -9.577 -1.556 1.00 0.00 H +ATOM 2713 1HD1 LEU A 168 5.218 -8.269 -2.758 1.00 0.00 H +ATOM 2714 2HD1 LEU A 168 3.667 -7.403 -2.670 1.00 0.00 H +ATOM 2715 3HD1 LEU A 168 5.012 -6.929 -1.606 1.00 0.00 H +ATOM 2716 1HD2 LEU A 168 5.920 -9.750 -0.878 1.00 0.00 H +ATOM 2717 2HD2 LEU A 168 5.671 -8.445 0.307 1.00 0.00 H +ATOM 2718 3HD2 LEU A 168 4.836 -10.003 0.511 1.00 0.00 H +ATOM 2719 N ALA A 169 0.246 -9.313 -0.680 1.00 0.00 N +ATOM 2720 CA ALA A 169 -0.643 -10.315 -1.249 1.00 0.00 C +ATOM 2721 C ALA A 169 -1.698 -9.715 -2.178 1.00 0.00 C +ATOM 2722 O ALA A 169 -1.938 -10.229 -3.247 1.00 0.00 O +ATOM 2723 CB ALA A 169 -1.332 -11.102 -0.144 1.00 0.00 C +ATOM 2724 H ALA A 169 0.352 -9.262 0.323 1.00 0.00 H +ATOM 2725 HA ALA A 169 -0.042 -11.000 -1.848 1.00 0.00 H +ATOM 2726 1HB ALA A 169 -1.993 -11.848 -0.585 1.00 0.00 H +ATOM 2727 2HB ALA A 169 -0.582 -11.601 0.470 1.00 0.00 H +ATOM 2728 3HB ALA A 169 -1.915 -10.424 0.477 1.00 0.00 H +ATOM 2729 N VAL A 170 -2.356 -8.647 -1.720 1.00 0.00 N +ATOM 2730 CA VAL A 170 -3.389 -7.976 -2.502 1.00 0.00 C +ATOM 2731 C VAL A 170 -2.823 -7.466 -3.849 1.00 0.00 C +ATOM 2732 O VAL A 170 -3.435 -7.645 -4.890 1.00 0.00 O +ATOM 2733 CB VAL A 170 -3.990 -6.806 -1.708 1.00 0.00 C +ATOM 2734 CG1 VAL A 170 -4.709 -5.819 -2.610 1.00 0.00 C +ATOM 2735 CG2 VAL A 170 -4.949 -7.317 -0.691 1.00 0.00 C +ATOM 2736 H VAL A 170 -2.128 -8.295 -0.801 1.00 0.00 H +ATOM 2737 HA VAL A 170 -4.182 -8.694 -2.718 1.00 0.00 H +ATOM 2738 HB VAL A 170 -3.185 -6.267 -1.209 1.00 0.00 H +ATOM 2739 1HG1 VAL A 170 -5.118 -5.007 -2.007 1.00 0.00 H +ATOM 2740 2HG1 VAL A 170 -4.006 -5.412 -3.337 1.00 0.00 H +ATOM 2741 3HG1 VAL A 170 -5.519 -6.327 -3.131 1.00 0.00 H +ATOM 2742 1HG2 VAL A 170 -5.369 -6.481 -0.133 1.00 0.00 H +ATOM 2743 2HG2 VAL A 170 -5.753 -7.861 -1.189 1.00 0.00 H +ATOM 2744 3HG2 VAL A 170 -4.430 -7.986 -0.005 1.00 0.00 H +ATOM 2745 N GLY A 171 -1.652 -6.834 -3.794 1.00 0.00 N +ATOM 2746 CA GLY A 171 -0.972 -6.306 -4.954 1.00 0.00 C +ATOM 2747 C GLY A 171 -0.666 -7.394 -5.979 1.00 0.00 C +ATOM 2748 O GLY A 171 -0.957 -7.269 -7.167 1.00 0.00 O +ATOM 2749 H GLY A 171 -1.229 -6.726 -2.883 1.00 0.00 H +ATOM 2750 1HA GLY A 171 -1.588 -5.535 -5.418 1.00 0.00 H +ATOM 2751 2HA GLY A 171 -0.042 -5.830 -4.645 1.00 0.00 H +ATOM 2752 N LEU A 172 -0.032 -8.465 -5.506 1.00 0.00 N +ATOM 2753 CA LEU A 172 0.328 -9.595 -6.354 1.00 0.00 C +ATOM 2754 C LEU A 172 -0.913 -10.180 -7.027 1.00 0.00 C +ATOM 2755 O LEU A 172 -0.905 -10.472 -8.216 1.00 0.00 O +ATOM 2756 CB LEU A 172 1.052 -10.670 -5.554 1.00 0.00 C +ATOM 2757 CG LEU A 172 2.444 -10.231 -5.048 1.00 0.00 C +ATOM 2758 CD1 LEU A 172 3.068 -11.352 -4.219 1.00 0.00 C +ATOM 2759 CD2 LEU A 172 3.427 -9.740 -6.104 1.00 0.00 C +ATOM 2760 H LEU A 172 0.205 -8.491 -4.525 1.00 0.00 H +ATOM 2761 HA LEU A 172 0.997 -9.240 -7.137 1.00 0.00 H +ATOM 2762 1HB LEU A 172 0.437 -10.940 -4.697 1.00 0.00 H +ATOM 2763 2HB LEU A 172 1.169 -11.553 -6.183 1.00 0.00 H +ATOM 2764 HG LEU A 172 2.332 -9.409 -4.341 1.00 0.00 H +ATOM 2765 1HD1 LEU A 172 4.050 -11.038 -3.864 1.00 0.00 H +ATOM 2766 2HD1 LEU A 172 2.428 -11.572 -3.365 1.00 0.00 H +ATOM 2767 3HD1 LEU A 172 3.173 -12.244 -4.834 1.00 0.00 H +ATOM 2768 1HD2 LEU A 172 4.366 -9.461 -5.625 1.00 0.00 H +ATOM 2769 2HD2 LEU A 172 3.611 -10.535 -6.827 1.00 0.00 H +ATOM 2770 3HD2 LEU A 172 3.008 -8.873 -6.616 1.00 0.00 H +ATOM 2771 N ALA A 173 -1.988 -10.311 -6.252 1.00 0.00 N +ATOM 2772 CA ALA A 173 -3.220 -10.950 -6.681 1.00 0.00 C +ATOM 2773 C ALA A 173 -3.971 -10.124 -7.721 1.00 0.00 C +ATOM 2774 O ALA A 173 -4.545 -10.667 -8.641 1.00 0.00 O +ATOM 2775 CB ALA A 173 -4.119 -11.233 -5.467 1.00 0.00 C +ATOM 2776 H ALA A 173 -1.927 -9.941 -5.314 1.00 0.00 H +ATOM 2777 HA ALA A 173 -2.963 -11.894 -7.161 1.00 0.00 H +ATOM 2778 1HB ALA A 173 -5.040 -11.711 -5.799 1.00 0.00 H +ATOM 2779 2HB ALA A 173 -3.597 -11.893 -4.774 1.00 0.00 H +ATOM 2780 3HB ALA A 173 -4.358 -10.296 -4.965 1.00 0.00 H +ATOM 2781 N MET A 174 -4.022 -8.805 -7.512 1.00 0.00 N +ATOM 2782 CA MET A 174 -4.630 -7.921 -8.483 1.00 0.00 C +ATOM 2783 C MET A 174 -3.833 -7.881 -9.792 1.00 0.00 C +ATOM 2784 O MET A 174 -4.427 -7.776 -10.897 1.00 0.00 O +ATOM 2785 CB MET A 174 -4.822 -6.526 -7.911 1.00 0.00 C +ATOM 2786 CG MET A 174 -5.956 -6.449 -6.887 1.00 0.00 C +ATOM 2787 SD MET A 174 -6.047 -4.785 -6.163 1.00 0.00 S +ATOM 2788 CE MET A 174 -7.121 -3.976 -7.382 1.00 0.00 C +ATOM 2789 H MET A 174 -3.634 -8.413 -6.666 1.00 0.00 H +ATOM 2790 HA MET A 174 -5.609 -8.319 -8.749 1.00 0.00 H +ATOM 2791 1HB MET A 174 -3.900 -6.199 -7.433 1.00 0.00 H +ATOM 2792 2HB MET A 174 -5.037 -5.827 -8.721 1.00 0.00 H +ATOM 2793 1HG MET A 174 -6.901 -6.689 -7.372 1.00 0.00 H +ATOM 2794 2HG MET A 174 -5.784 -7.181 -6.098 1.00 0.00 H +ATOM 2795 1HE MET A 174 -7.284 -2.938 -7.093 1.00 0.00 H +ATOM 2796 2HE MET A 174 -6.647 -4.010 -8.364 1.00 0.00 H +ATOM 2797 3HE MET A 174 -8.079 -4.496 -7.424 1.00 0.00 H +ATOM 2798 N ALA A 175 -2.498 -7.964 -9.668 1.00 0.00 N +ATOM 2799 CA ALA A 175 -1.603 -7.997 -10.827 1.00 0.00 C +ATOM 2800 C ALA A 175 -1.871 -9.244 -11.669 1.00 0.00 C +ATOM 2801 O ALA A 175 -1.958 -9.165 -12.873 1.00 0.00 O +ATOM 2802 CB ALA A 175 -0.134 -7.920 -10.395 1.00 0.00 C +ATOM 2803 H ALA A 175 -2.102 -8.005 -8.740 1.00 0.00 H +ATOM 2804 HA ALA A 175 -1.825 -7.131 -11.452 1.00 0.00 H +ATOM 2805 1HB ALA A 175 0.507 -7.947 -11.277 1.00 0.00 H +ATOM 2806 2HB ALA A 175 0.037 -6.992 -9.850 1.00 0.00 H +ATOM 2807 3HB ALA A 175 0.100 -8.767 -9.752 1.00 0.00 H +ATOM 2808 N PHE A 176 -2.007 -10.381 -10.983 1.00 0.00 N +ATOM 2809 CA PHE A 176 -2.358 -11.679 -11.542 1.00 0.00 C +ATOM 2810 C PHE A 176 -3.680 -11.619 -12.287 1.00 0.00 C +ATOM 2811 O PHE A 176 -3.774 -12.015 -13.462 1.00 0.00 O +ATOM 2812 CB PHE A 176 -2.445 -12.732 -10.418 1.00 0.00 C +ATOM 2813 CG PHE A 176 -2.761 -14.091 -10.912 1.00 0.00 C +ATOM 2814 CD1 PHE A 176 -1.750 -14.951 -11.277 1.00 0.00 C +ATOM 2815 CD2 PHE A 176 -4.076 -14.496 -11.066 1.00 0.00 C +ATOM 2816 CE1 PHE A 176 -2.047 -16.194 -11.782 1.00 0.00 C +ATOM 2817 CE2 PHE A 176 -4.380 -15.742 -11.574 1.00 0.00 C +ATOM 2818 CZ PHE A 176 -3.362 -16.590 -11.931 1.00 0.00 C +ATOM 2819 H PHE A 176 -1.844 -10.301 -9.990 1.00 0.00 H +ATOM 2820 HA PHE A 176 -1.578 -11.976 -12.244 1.00 0.00 H +ATOM 2821 1HB PHE A 176 -1.497 -12.772 -9.883 1.00 0.00 H +ATOM 2822 2HB PHE A 176 -3.212 -12.438 -9.703 1.00 0.00 H +ATOM 2823 HD1 PHE A 176 -0.713 -14.634 -11.162 1.00 0.00 H +ATOM 2824 HD2 PHE A 176 -4.877 -13.814 -10.779 1.00 0.00 H +ATOM 2825 HE1 PHE A 176 -1.243 -16.873 -12.065 1.00 0.00 H +ATOM 2826 HE2 PHE A 176 -5.417 -16.056 -11.693 1.00 0.00 H +ATOM 2827 HZ PHE A 176 -3.594 -17.575 -12.335 1.00 0.00 H +ATOM 2828 N VAL A 177 -4.705 -11.112 -11.599 1.00 0.00 N +ATOM 2829 CA VAL A 177 -6.025 -10.972 -12.179 1.00 0.00 C +ATOM 2830 C VAL A 177 -5.962 -10.056 -13.401 1.00 0.00 C +ATOM 2831 O VAL A 177 -6.437 -10.423 -14.422 1.00 0.00 O +ATOM 2832 CB VAL A 177 -7.065 -10.455 -11.135 1.00 0.00 C +ATOM 2833 CG1 VAL A 177 -8.386 -10.024 -11.816 1.00 0.00 C +ATOM 2834 CG2 VAL A 177 -7.303 -11.520 -10.041 1.00 0.00 C +ATOM 2835 H VAL A 177 -4.553 -10.817 -10.645 1.00 0.00 H +ATOM 2836 HA VAL A 177 -6.355 -11.952 -12.527 1.00 0.00 H +ATOM 2837 HB VAL A 177 -6.681 -9.544 -10.674 1.00 0.00 H +ATOM 2838 1HG1 VAL A 177 -9.086 -9.669 -11.059 1.00 0.00 H +ATOM 2839 2HG1 VAL A 177 -8.184 -9.223 -12.527 1.00 0.00 H +ATOM 2840 3HG1 VAL A 177 -8.820 -10.875 -12.340 1.00 0.00 H +ATOM 2841 1HG2 VAL A 177 -8.030 -11.146 -9.320 1.00 0.00 H +ATOM 2842 2HG2 VAL A 177 -7.684 -12.434 -10.499 1.00 0.00 H +ATOM 2843 3HG2 VAL A 177 -6.364 -11.735 -9.530 1.00 0.00 H +ATOM 2844 N ASP A 178 -5.336 -8.880 -13.272 1.00 0.00 N +ATOM 2845 CA ASP A 178 -5.197 -7.948 -14.398 1.00 0.00 C +ATOM 2846 C ASP A 178 -4.380 -8.495 -15.578 1.00 0.00 C +ATOM 2847 O ASP A 178 -4.586 -8.067 -16.709 1.00 0.00 O +ATOM 2848 CB ASP A 178 -4.608 -6.638 -13.976 1.00 0.00 C +ATOM 2849 CG ASP A 178 -5.508 -5.868 -13.045 1.00 0.00 C +ATOM 2850 OD1 ASP A 178 -6.660 -6.310 -12.846 1.00 0.00 O +ATOM 2851 OD2 ASP A 178 -5.084 -4.791 -12.520 1.00 0.00 O +ATOM 2852 H ASP A 178 -4.949 -8.628 -12.374 1.00 0.00 H +ATOM 2853 HA ASP A 178 -6.188 -7.753 -14.810 1.00 0.00 H +ATOM 2854 1HB ASP A 178 -3.654 -6.811 -13.478 1.00 0.00 H +ATOM 2855 2HB ASP A 178 -4.411 -6.027 -14.857 1.00 0.00 H +ATOM 2856 N SER A 179 -3.502 -9.466 -15.305 1.00 0.00 N +ATOM 2857 CA SER A 179 -2.658 -10.101 -16.314 1.00 0.00 C +ATOM 2858 C SER A 179 -3.367 -11.185 -17.107 1.00 0.00 C +ATOM 2859 O SER A 179 -2.833 -11.682 -18.120 1.00 0.00 O +ATOM 2860 CB SER A 179 -1.473 -10.763 -15.642 1.00 0.00 C +ATOM 2861 OG SER A 179 -0.605 -9.801 -15.113 1.00 0.00 O +ATOM 2862 H SER A 179 -3.429 -9.765 -14.343 1.00 0.00 H +ATOM 2863 HA SER A 179 -2.296 -9.331 -16.997 1.00 0.00 H +ATOM 2864 1HB SER A 179 -1.826 -11.419 -14.847 1.00 0.00 H +ATOM 2865 2HB SER A 179 -0.943 -11.381 -16.365 1.00 0.00 H +ATOM 2866 HG SER A 179 -0.996 -8.949 -15.319 1.00 0.00 H +ATOM 2867 N LEU A 180 -4.540 -11.616 -16.632 1.00 0.00 N +ATOM 2868 CA LEU A 180 -5.271 -12.636 -17.357 1.00 0.00 C +ATOM 2869 C LEU A 180 -5.867 -12.022 -18.639 1.00 0.00 C +ATOM 2870 O LEU A 180 -5.913 -12.692 -19.694 1.00 0.00 O +ATOM 2871 CB LEU A 180 -6.304 -13.305 -16.460 1.00 0.00 C +ATOM 2872 CG LEU A 180 -5.711 -14.207 -15.380 1.00 0.00 C +ATOM 2873 CD1 LEU A 180 -6.841 -14.759 -14.534 1.00 0.00 C +ATOM 2874 CD2 LEU A 180 -4.903 -15.344 -15.972 1.00 0.00 C +ATOM 2875 H LEU A 180 -4.929 -11.246 -15.776 1.00 0.00 H +ATOM 2876 HA LEU A 180 -4.564 -13.393 -17.695 1.00 0.00 H +ATOM 2877 1HB LEU A 180 -6.896 -12.532 -15.975 1.00 0.00 H +ATOM 2878 2HB LEU A 180 -6.968 -13.906 -17.082 1.00 0.00 H +ATOM 2879 HG LEU A 180 -5.054 -13.620 -14.737 1.00 0.00 H +ATOM 2880 1HD1 LEU A 180 -6.432 -15.405 -13.757 1.00 0.00 H +ATOM 2881 2HD1 LEU A 180 -7.385 -13.935 -14.070 1.00 0.00 H +ATOM 2882 3HD1 LEU A 180 -7.519 -15.334 -15.163 1.00 0.00 H +ATOM 2883 1HD2 LEU A 180 -4.499 -15.961 -15.168 1.00 0.00 H +ATOM 2884 2HD2 LEU A 180 -5.544 -15.954 -16.609 1.00 0.00 H +ATOM 2885 3HD2 LEU A 180 -4.083 -14.938 -16.565 1.00 0.00 H +ATOM 2886 N ASN A 181 -6.262 -10.741 -18.544 1.00 0.00 N +ATOM 2887 CA ASN A 181 -6.744 -9.952 -19.686 1.00 0.00 C +ATOM 2888 C ASN A 181 -5.609 -9.615 -20.686 1.00 0.00 C +ATOM 2889 O ASN A 181 -4.557 -9.067 -20.289 1.00 0.00 O +ATOM 2890 CB ASN A 181 -7.402 -8.636 -19.225 1.00 0.00 C +ATOM 2891 CG ASN A 181 -8.421 -8.825 -18.095 1.00 0.00 C +ATOM 2892 OD1 ASN A 181 -9.609 -9.072 -18.334 1.00 0.00 O +ATOM 2893 ND2 ASN A 181 -7.961 -8.669 -16.856 1.00 0.00 N +ATOM 2894 H ASN A 181 -6.220 -10.310 -17.632 1.00 0.00 H +ATOM 2895 HA ASN A 181 -7.494 -10.538 -20.220 1.00 0.00 H +ATOM 2896 1HB ASN A 181 -6.632 -7.945 -18.881 1.00 0.00 H +ATOM 2897 2HB ASN A 181 -7.908 -8.167 -20.069 1.00 0.00 H +ATOM 2898 1HD2 ASN A 181 -8.577 -8.779 -16.075 1.00 0.00 H +ATOM 2899 2HD2 ASN A 181 -6.999 -8.441 -16.705 1.00 0.00 H +ATOM 2900 N ALA A 182 -5.846 -9.945 -21.969 1.00 0.00 N +ATOM 2901 CA ALA A 182 -4.904 -9.757 -23.085 1.00 0.00 C +ATOM 2902 C ALA A 182 -3.480 -10.202 -22.749 1.00 0.00 C +ATOM 2903 O ALA A 182 -3.280 -11.181 -22.028 1.00 0.00 O +ATOM 2904 OXT ALA A 182 -2.542 -9.595 -23.189 1.00 0.00 O +ATOM 2905 CB ALA A 182 -4.912 -8.312 -23.569 1.00 0.00 C +ATOM 2906 H ALA A 182 -6.751 -10.352 -22.153 1.00 0.00 H +ATOM 2907 HA ALA A 182 -5.220 -10.400 -23.906 1.00 0.00 H +ATOM 2908 1HB ALA A 182 -4.208 -8.200 -24.393 1.00 0.00 H +ATOM 2909 2HB ALA A 182 -5.914 -8.047 -23.908 1.00 0.00 H +ATOM 2910 3HB ALA A 182 -4.621 -7.653 -22.752 1.00 0.00 H +TER +HETATM 2912 THKN MEM B 183 15.000 0.000 0.000 1.00 0.00 X +HETATM 2913 CNTR MEM B 183 0.000 0.000 0.000 1.00 0.00 X +HETATM 2914 NORM MEM B 183 0.000 0.000 1.000 1.00 0.00 X +TER +HETATM 2916 DPTH EMB C 184 -4.205 13.879 6.005 1.00 0.00 X +HETATM 2917 CNTR EMB C 184 -2.738 17.636 20.452 1.00 0.00 X +HETATM 2918 NORM EMB C 184 -4.204 13.880 6.006 1.00 0.00 X +HETATM 2919 DPTH EMB C 185 -1.324 4.803 -0.548 1.00 0.00 X +HETATM 2920 CNTR EMB C 185 -6.312 3.810 13.563 1.00 0.00 X +HETATM 2921 NORM EMB C 185 -1.323 4.804 -0.547 1.00 0.00 X +HETATM 2922 DPTH EMB C 186 -3.505 -1.911 -2.533 1.00 0.00 X +HETATM 2923 CNTR EMB C 186 -3.225 -6.573 11.721 1.00 0.00 X +HETATM 2924 NORM EMB C 186 -3.504 -1.910 -2.532 1.00 0.00 X +HETATM 2925 DPTH EMB C 187 1.701 -8.104 2.256 1.00 0.00 X +HETATM 2926 CNTR EMB C 187 -3.587 -10.822 16.027 1.00 0.00 X +HETATM 2927 NORM EMB C 187 1.702 -8.103 2.257 1.00 0.00 X +HETATM 2928 DPTH EMB C 188 8.692 -0.327 -2.113 1.00 0.00 X +HETATM 2929 CNTR EMB C 188 13.416 0.112 12.117 1.00 0.00 X +HETATM 2930 NORM EMB C 188 8.693 -0.326 -2.112 1.00 0.00 X +HETATM 2931 DPTH EMB C 189 -1.358 -8.340 -3.066 1.00 0.00 X +HETATM 2932 CNTR EMB C 189 2.445 -4.164 10.830 1.00 0.00 X +HETATM 2933 NORM EMB C 189 -1.357 -8.339 -3.065 1.00 0.00 X +HETATM 2934 DPTH EMB C 190 0.000 0.000 0.000 1.00 0.00 X +HETATM 2935 CNTR EMB C 190 0.000 0.000 15.000 1.00 0.00 X +HETATM 2936 NORM EMB C 190 0.001 0.001 0.001 1.00 0.00 X +TER +CONECT 2912 2913 +CONECT 2913 2912 2914 +CONECT 2914 2913 +CONECT 2916 2917 +CONECT 2917 2916 2918 +CONECT 2918 2917 +CONECT 2919 2920 +CONECT 2920 2919 2921 +CONECT 2921 2920 +CONECT 2922 2923 +CONECT 2923 2922 2924 +CONECT 2924 2923 +CONECT 2925 2926 +CONECT 2926 2925 2927 +CONECT 2927 2926 +CONECT 2928 2929 +CONECT 2929 2928 2930 +CONECT 2930 2929 +CONECT 2931 2932 +CONECT 2932 2931 2933 +CONECT 2933 2932 +CONECT 2934 2935 +CONECT 2935 2934 2936 +CONECT 2936 2935 +# All scores below are weighted scores, not raw scores. +#BEGIN_POSE_ENERGIES_TABLE backup_0001.pdb +label fa_atr fa_rep fa_intra_rep pro_close fa_pair hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc fa_mpsolv dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih rama omega fa_dun p_aa_pp ref fa_mpenv fa_mpenv_smooth total +weights 0.8 0.44 0.004 1 0.49 1.17 1.17 2.34 2.2 0.35 0.5 2 5 5 0.2 0.5 0.56 0.32 1 0.3 0.5 NA +pose -736.286 105.888 1.8813 10.4609 -6.26136 -91.1302 -1.82355 -18.7593 -8.83303 113.981 0 0 0 0 -0.193 33.9098 336.161 -9.11575 -2.59 88.342 -24.0487 -208.417 +GLU:NtermProteinFull_1 -0.93889 0.46247 0.00288 0 -0.14393 0 0 0 0 0.15477 0 0 0 0 0 1.22134 6.37833 0 -0.81 3.30701 0.5479 10.1819 +ARG_2 -3.72251 0.79121 0.01512 0 -0.0486 0 0 0 0 0.59276 0 0 0 0 1.21117 0.01062 9.2731 -0.22615 -0.98 2.68572 -0.44473 9.1577 +ALA_3 -2.08797 0.20506 0.00113 0 0 0 0 0 0 0.32205 0 0 0 0 0.1159 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0 0 0 0 0.74147 0 0 0 0 0.08919 0.30634 1.73314 -0.07533 0.91 0.62675 -0.52716 -1.30739 +LEU_123 -5.34773 0.6412 0.01289 0 0 0 0 0 0 0.78875 0 0 0 0 -0.1075 0.00103 0.66261 -0.11197 -0.1 -0.33453 -0.5577 -4.45296 +ARG_124 -7.44053 0.98177 0.00742 0 -0.41597 0 0 0 -1.94519 2.03653 0 0 0 0 -0.14785 0.36328 3.28082 -0.08932 -0.98 1.05645 0.3661 -2.92649 +GLY_125 -3.00637 0.33416 5e-05 0 0 0 0 0 0 0.60965 0 0 0 0 0.28528 0.00963 0 0.29624 -0.17 0.3696 0.09189 -1.17986 +GLU_126 -3.21442 0.1983 0.00442 0 0 0 0 0 0 0.58098 0 0 0 0 -0.21502 0.49316 3.64141 -0.10397 -0.81 1.57055 0.54616 2.69158 +ARG_127 -4.42892 1.13378 0.00909 0 0.08837 0 0 0 0 1.09829 0 0 0 0 -0.08619 1.33482 2.91751 -0.06983 -0.98 1.24003 -0.73997 1.51699 +ASP_128 -3.90859 0.49523 0.00516 0.20138 -0.42709 0 0 0 -1.45515 1.58426 0 0 0 0 0.32416 0.03501 1.44833 -0.26164 -0.67 0.27014 -0.11221 -2.47101 +PRO_129 -2.76002 0.56078 0.0008 0.29853 0 0 0 0 0 0.87964 0 0 0 0 0.65687 0.96471 12.9394 -0.23106 0.02 -0.01086 -0.29949 13.0193 +GLN_130 -1.55044 0.52234 0.0086 0 0.00498 0 0 0 0 0.60904 0 0 0 0 0.24397 3.90265 5.28475 0.00823 -0.97 0.03028 -0.40604 7.68836 +SER_131 -2.32503 0.22838 0.00905 0 -0.02891 0 0 0 0 1.03492 0 0 0 0 -0.24624 0.26285 4.12559 -0.18985 -0.37 0.13856 -0.15667 2.48264 +GLY_132 -1.28141 0.54412 1e-05 0 0 0 0 0 0 0.41685 0 0 0 0 -0.40123 0.02766 0 -0.78554 -0.17 0.08246 -0.09084 -1.65791 +ILE_133 -3.49066 2.2015 0.03055 0 0 0 0 0 0 0.67936 0 0 0 0 -0.17007 0.13219 21.5836 -0.36825 0.24 -0.51087 -0.07722 20.2502 +TYR_134 -2.60366 0.157 0.02837 0 0 0 0 0 0 0.38679 0 0 0 0 -0.09758 0.05292 1.50187 -0.24023 0.51 0.44577 -0.15163 -0.01038 +LEU_135 -3.79687 0.45858 0.00753 0 0 0 0 0 0 0.57512 0 0 0 0 0.08172 0.07337 1.73443 -0.08877 -0.1 -0.36594 -0.25533 -1.67617 +GLN_136 -2.83639 0.33529 0.00212 0 0 0 0 0 0 0.40373 0 0 0 0 -0.16599 0.48219 5.37612 0.0986 -0.97 1.33338 -0.13113 3.92792 +ARG_137 -2.18558 1.17373 0.00915 0 0 0 0 0 0 0.29124 0 0 0 0 0.89629 0.07154 3.25777 -0.28328 -0.98 1.55793 -0.09579 3.71302 +GLY_138 -2.59234 0.68849 5e-05 0 0 0 0 0 0 0.29657 0 0 0 0 0.49905 0.0324 0 0.03636 -0.17 0.89044 1.37141 1.05243 +LEU_139 -4.07929 0.22079 0.01672 0 0 0 0 0 0 0.48229 0 0 0 0 -0.12259 0.0011 3.09694 -0.07647 -0.1 -0.23626 -0.75769 -1.55446 +ILE_140 -5.46753 1.60406 0.01982 0 0 0 0 0 0 0.74335 0 0 0 0 -0.05766 0.64924 3.82172 0.06474 0.24 -0.23749 -0.60378 0.77646 +ILE_141 -4.16265 0.43355 0.04544 0 0 0 0 0 0 0.50883 0 0 0 0 0.13592 0.20085 2.20913 -0.00072 0.24 -0.24029 -0.8289 -1.45883 +PHE_142 -4.51145 0.38877 0.02338 0 0 0 0 0 0 0.49321 0 0 0 0 -0.12168 0.13148 1.91599 0.09192 0.63 -0.01349 -0.91934 -1.89122 +ALA_143 -4.39408 0.34437 0.00061 0 0 0 0 0 0 0.52284 0 0 0 0 -0.0849 0.00051 0 -0.12619 0.16 0.4956 -0.22517 -3.30639 +LEU_144 -3.74406 0.46093 0.00695 0 0 0 0 0 0 0.46739 0 0 0 0 -0.08507 0.15274 0.65794 -0.12172 -0.1 -0.2403 -0.7944 -3.3396 +ILE_145 -3.58073 0.22777 0.01769 0 0 0 0 0 0 0.43077 0 0 0 0 -0.03106 0.004 0.34666 -0.03879 0.24 -0.2403 -0.79731 -3.4213 +TRP_146 -6.04348 0.65797 0.02249 0 0 0 0 0 0 0.64206 0 0 0 0 -0.13888 0.00183 3.08402 -0.03569 0.91 0.6903 -0.26505 -0.47443 +ILE_147 -4.41448 0.27862 0.01688 0 0 0 0 0 0 0.5472 0 0 0 0 -0.04189 0.09176 0.08871 -0.0941 0.24 -0.2403 -0.59609 -4.12368 +VAL_148 -3.76537 0.50144 0.01326 0 0 0 0 0 0 0.44982 0 0 0 0 -0.01427 0.00637 0.16028 0.0654 0.29 -0.00315 -0.34146 -2.63768 +ALA_149 -4.14088 0.52758 0.00073 0 0 0 0 0 0 0.482 0 0 0 0 -0.04495 0.00241 0 -0.10819 0.16 0.49327 0.32041 -2.30761 +GLY_150 -2.74917 0.32876 4e-05 0 0 0 0 0 0 0.30787 0 0 0 0 0.16149 0.16905 0 0.2436 -0.17 0.89914 0.52628 -0.28293 +TRP_151 -3.54144 0.37021 0.02319 0 0 0 0 0 0 0.36358 0 0 0 0 -0.0849 0.02129 1.74589 -0.01212 0.91 0.67854 -0.87362 -0.39937 +PHE_152 -3.51215 0.38316 0.02481 0 0 0 0 0 0 0.40452 0 0 0 0 -0.13196 0.07737 1.37134 -0.07133 0.63 -0.062 -0.94736 -1.8336 +ASP_153 -3.45233 0.86424 0.00802 0 -0.04961 0 0 0 0 0.66364 0 0 0 0 -0.0317 0.00035 1.66096 -0.38102 -0.67 2.05139 1.11335 1.77729 +LEU_154 -2.62182 0.30656 0.0085 0 0 0 0 0 0 0.37596 0 0 0 0 -0.0861 0.10834 0.28882 0.03119 -0.1 -0.27379 -0.82249 -2.78481 +PHE_155 -4.68779 1.21897 0.02418 0 0 0 0 0 0 0.64952 0 0 0 0 0.23828 0.07667 2.43672 0.43314 0.63 -0.22143 -0.39919 0.39907 +GLY_156 -0.5451 0.18277 4e-05 0 0 0 0 0 0 0.14481 0 0 0 0 0.58783 0.28945 0 -0.11377 -0.17 0.4312 0.81932 1.62656 +MET_157 -2.09031 0.0896 0.00789 0 0 0 0 0 0 0.42481 0 0 0 0 0.18912 0.19183 5.46253 0.0791 -0.34 0.23168 -0.06507 4.18118 +SER_158 -1.30692 0.07736 0.00395 0 -0.02693 0 0 0 0 0.29522 0 0 0 0 -0.27819 0.00566 0.98709 -0.05519 -0.37 0.54127 0.21302 0.08634 +MET_159 -3.63886 0.85303 0.00383 0 0 0 0 0 0 0.58767 0 0 0 0 -0.1328 0.23178 2.11923 -0.06116 -0.34 0.03346 -0.09062 -0.43445 +ALA_160 -3.07482 0.72026 0.00166 0 0 0 0 0 0 0.39633 0 0 0 0 0.16385 0.12338 0 0.14029 0.16 0.48133 -0.45111 -1.33883 +ASN_161 -3.47845 0.33782 0.00366 0 -0.14716 0 0 0 0 0.39225 0 0 0 0 -0.05459 0.00781 3.51583 0.0709 -0.89 2.18141 1.37494 3.31444 +GLY_162 -3.24471 0.31975 5e-05 0 0 0 0 0 0 0.38196 0 0 0 0 0.19049 0.12177 0 0.30874 -0.17 0.89808 -0.02143 -1.2153 +ALA_163 -4.02479 0.23078 0.00069 0 0 0 0 -1.44355 0 0.48017 0 0 0 0 -0.16287 0.07755 0 -0.19065 0.16 0.49493 -0.52248 -4.90022 +HIS_164 -6.65112 0.61757 0.00435 0 -0.12151 0 0 0 -0.31137 0.76315 0 0 0 0 -0.01674 0.09404 2.38512 0.0011 0.56 2.50046 0.49954 0.32459 +ILE_165 -3.33857 0.39086 0.01365 0 0 0 0 0 0 0.40282 0 0 0 0 -0.0312 0.00759 2.0541 -0.12908 0.24 -0.23993 -0.69341 -1.32316 +ALA_166 -3.54581 0.44153 0.00084 0 0 0 0 0 0 0.42626 0 0 0 0 -0.16836 0.01511 0 -0.17968 0.16 0.4956 -0.39864 -2.75316 +GLY_167 -3.4804 0.38333 3e-05 0 0 0 0 0 0 0.39841 0 0 0 0 0.18994 0.00803 0 0.2776 -0.17 0.9042 -0.77141 -2.26028 +LEU_168 -4.33704 0.25147 0.00647 0 0 0 0 0 0 0.53051 0 0 0 0 -0.02608 0.03357 0.67451 -0.10407 -0.1 -0.2403 -0.49922 -3.81018 +ALA_169 -2.98763 0.21432 0.00081 0 0 0 0 0 0 0.33501 0 0 0 0 -0.04628 1e-05 0 -0.12905 0.16 0.4956 -0.0847 -2.04189 +VAL_170 -4.37326 0.4538 0.01752 0 0 0 0 0 0 0.57682 0 0 0 0 0.02546 0.0022 1.24196 -0.01259 0.29 -0.00301 -0.31591 -2.09701 +GLY_171 -3.68914 0.35875 3e-05 0 0 0 0 0 0 0.41093 0 0 0 0 0.21946 0.00024 0 0.30606 -0.17 0.90389 -0.49542 -2.1552 +LEU_172 -4.44249 0.46802 0.00588 0 0 0 0 0 0 0.57294 0 0 0 0 -0.06323 0.14396 0.55038 -0.11409 -0.1 -0.24145 -0.57018 -3.79026 +ALA_173 -3.02693 0.33233 0.00071 0 0 0 0 0 0 0.34192 0 0 0 0 -0.12094 0.09141 0 -0.1049 0.16 0.49357 -0.02983 -1.86266 +MET_174 -5.05204 0.32252 0.00233 0 0 0 0 0 0 0.70112 0 0 0 0 -0.14668 0.03546 1.83019 -0.13739 -0.34 0.18567 -0.34292 -2.94174 +ALA_175 -4.91719 0.49655 0.0006 0 0 0 0 0 0 0.70225 0 0 0 0 -0.11307 0.10507 0 -0.14994 0.16 0.41452 -0.35185 -3.65307 +PHE_176 -4.96075 0.36795 0.03037 0 0 0 0 0 0 0.80895 0 0 0 0 0.04217 0.00385 1.42754 -0.16182 0.63 -0.10481 -0.92731 -2.84386 +VAL_177 -3.50671 0.38855 0.01047 0 0 0 0 0 0 0.61033 0 0 0 0 0.06568 0.01147 0.14589 -0.04299 0.29 -0.18267 0.12141 -2.08858 +ASP_178 -5.13164 0.49627 0.00404 0 -0.50232 0 0 -0.1208 -0.70742 1.2346 0 0 0 0 -0.14808 0.00176 1.55305 0.01515 -0.67 2.37127 0.45134 -1.15279 +SER_179 -3.87655 1.13147 0.00243 0 -0.12237 0 0 0 0 1.15055 0 0 0 0 -0.27001 0.00353 0.97894 -0.16715 -0.37 0.64409 0.11203 -0.78305 +LEU_180 -2.77957 0.13481 0.00817 0 0 0 0 0 0 0.67139 0 0 0 0 -0.13 0.1542 0.25629 -0.12637 -0.1 -0.34088 -0.18997 -2.44192 +ASN_181 -2.06602 0.1325 0.00399 0 -0.15527 0 0 -0.1208 0 0.79173 0 0 0 0 -0.16513 0.01579 3.91213 0.02104 -0.89 0.34858 -0.30605 1.5225 +ALA:CtermProteinFull_182 -0.66481 0.04526 0.0031 0 0 0 0 0 0 0.3468 0 0 0 0 0 0 0 0 0.16 0.04661 0.90855 0.84551 +MEM_183 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_184 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_185 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_186 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_187 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_188 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_189 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +EMB_190 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 +#END_POSE_ENERGIES_TABLE backup_0001.pdb + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/score.sc b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/score.sc new file mode 100644 index 0000000..7b8ffa1 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/score.sc @@ -0,0 +1,3 @@ +SEQUENCE: +SCORE: total_score dslf_ca_dih dslf_cs_ang dslf_ss_dih dslf_ss_dst fa_atr fa_dun fa_intra_rep fa_mpenv fa_mpenv_smooth fa_mpsolv fa_pair fa_rep hbond_bb_sc hbond_lr_bb hbond_sc hbond_sr_bb omega p_aa_pp pro_close rama ref description +SCORE: -208.417 0.000 0.000 0.000 0.000 -736.286 336.161 1.881 88.342 -24.049 113.981 -6.261 105.888 -18.759 -1.824 -8.833 -91.130 33.910 -9.116 10.461 -0.193 -2.590 backup_0001 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/superposed_struc.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/superposed_struc.pdb new file mode 100644 index 0000000..3168a3a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/superpose/superposed_struc.pdb @@ -0,0 +1,1453 @@ +ATOM 1 N GLU A 1 4.380 17.924 -15.176 1.00 43.35 N +ATOM 2 CA GLU A 1 3.896 17.224 -13.952 1.00 55.59 C +ATOM 3 CB GLU A 1 2.388 17.408 -13.815 1.00 53.53 C +ATOM 4 CG GLU A 1 1.872 17.441 -12.391 1.00 34.05 C +ATOM 5 CD GLU A 1 0.404 17.742 -12.405 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -0.368 16.783 -12.568 1.00 53.50 O +ATOM 7 OE2 GLU A 1 0.018 18.929 -12.304 1.00 36.54 O +ATOM 8 C GLU A 1 4.267 15.736 -13.951 1.00 46.53 C +ATOM 9 O GLU A 1 5.331 15.372 -14.468 1.00 50.24 O +ATOM 10 N ARG A 2 3.381 14.901 -13.386 1.00 38.93 N +ATOM 11 CA ARG A 2 3.672 13.516 -12.988 1.00 54.74 C +ATOM 12 CB ARG A 2 4.985 13.447 -12.152 1.00 50.45 C +ATOM 13 CG ARG A 2 5.153 12.281 -11.170 1.00 57.12 C +ATOM 14 CD ARG A 2 6.103 11.187 -11.647 1.00 57.44 C +ATOM 15 NE ARG A 2 5.685 9.836 -11.225 1.00 52.68 N +ATOM 16 CZ ARG A 2 6.224 8.706 -11.695 1.00 48.62 C +ATOM 17 NH1 ARG A 2 7.226 8.735 -12.586 1.00 54.86 N +ATOM 18 NH2 ARG A 2 5.783 7.532 -11.272 1.00 28.66 N +ATOM 19 C ARG A 2 2.450 12.956 -12.225 1.00 66.99 C +ATOM 20 O ARG A 2 1.747 12.086 -12.739 1.00 85.13 O +ATOM 21 N ALA A 3 2.206 13.477 -11.012 1.00 43.05 N +ATOM 22 CA ALA A 3 1.107 13.045 -10.131 1.00 41.35 C +ATOM 23 CB ALA A 3 1.329 13.583 -8.695 1.00 34.83 C +ATOM 24 C ALA A 3 -0.306 13.473 -10.625 1.00 29.58 C +ATOM 25 O ALA A 3 -0.636 14.670 -10.594 1.00 21.07 O +ATOM 26 N GLY A 4 -1.124 12.494 -11.045 1.00 20.97 N +ATOM 27 CA GLY A 4 -2.550 12.686 -11.224 1.00 16.58 C +ATOM 28 C GLY A 4 -3.257 13.042 -9.911 1.00 18.06 C +ATOM 29 O GLY A 4 -2.664 13.030 -8.823 1.00 16.28 O +ATOM 30 N PRO A 5 -4.579 13.320 -9.958 1.00 12.89 N +ATOM 31 CA PRO A 5 -5.304 13.785 -8.773 1.00 10.80 C +ATOM 32 CB PRO A 5 -6.734 14.059 -9.314 1.00 10.45 C +ATOM 33 CG PRO A 5 -6.807 13.269 -10.579 1.00 9.74 C +ATOM 34 CD PRO A 5 -5.430 13.190 -11.151 1.00 10.46 C +ATOM 35 C PRO A 5 -5.352 12.798 -7.634 1.00 11.27 C +ATOM 36 O PRO A 5 -5.394 13.220 -6.491 1.00 13.59 O +ATOM 37 N VAL A 6 -5.414 11.496 -7.922 1.00 9.93 N +ATOM 38 CA VAL A 6 -5.510 10.540 -6.832 1.00 12.26 C +ATOM 39 CB VAL A 6 -5.921 9.142 -7.312 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -5.861 8.139 -6.165 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -7.320 9.187 -7.929 1.00 17.43 C +ATOM 42 C VAL A 6 -4.162 10.478 -6.127 1.00 10.99 C +ATOM 43 O VAL A 6 -4.089 10.549 -4.900 1.00 8.01 O +ATOM 44 N THR A 7 -3.084 10.375 -6.915 1.00 10.58 N +ATOM 45 CA THR A 7 -1.731 10.431 -6.338 1.00 12.65 C +ATOM 46 CB THR A 7 -0.664 10.439 -7.419 1.00 11.06 C +ATOM 47 OG1 THR A 7 -0.805 9.237 -8.216 1.00 10.95 O +ATOM 48 CG2 THR A 7 0.697 10.479 -6.726 1.00 11.91 C +ATOM 49 C THR A 7 -1.543 11.639 -5.413 1.00 13.19 C +ATOM 50 O THR A 7 -1.058 11.520 -4.300 1.00 10.71 O +ATOM 51 N TRP A 8 -2.027 12.792 -5.886 1.00 13.70 N +ATOM 52 CA TRP A 8 -1.882 14.073 -5.213 1.00 14.00 C +ATOM 53 CB TRP A 8 -2.279 15.132 -6.214 1.00 11.57 C +ATOM 54 CG TRP A 8 -2.343 16.504 -5.772 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -3.405 17.341 -5.917 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -3.101 18.583 -5.477 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -1.811 18.586 -5.019 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -1.300 17.284 -5.203 1.00 20.29 C +ATOM 59 CE3 TRP A 8 0.014 17.018 -4.829 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 0.765 18.044 -4.252 1.00 29.87 C +ATOM 61 CH2 TRP A 8 0.231 19.341 -4.087 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -1.049 19.632 -4.462 1.00 23.41 C +ATOM 63 C TRP A 8 -2.730 14.179 -3.951 1.00 11.19 C +ATOM 64 O TRP A 8 -2.261 14.618 -2.913 1.00 9.21 O +ATOM 65 N VAL A 9 -4.004 13.821 -4.063 1.00 10.48 N +ATOM 66 CA VAL A 9 -4.901 14.010 -2.962 1.00 13.92 C +ATOM 67 CB VAL A 9 -6.384 13.867 -3.364 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -7.269 13.721 -2.133 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -6.809 15.081 -4.144 1.00 20.11 C +ATOM 70 C VAL A 9 -4.493 13.124 -1.778 1.00 10.13 C +ATOM 71 O VAL A 9 -4.557 13.548 -0.666 1.00 7.20 O +ATOM 72 N MET A 10 -4.026 11.906 -2.046 1.00 10.15 N +ATOM 73 CA MET A 10 -3.566 11.054 -0.969 1.00 11.00 C +ATOM 74 CB MET A 10 -3.181 9.713 -1.563 1.00 14.36 C +ATOM 75 CG MET A 10 -2.397 8.800 -0.624 1.00 16.11 C +ATOM 76 SD MET A 10 -3.393 8.267 0.783 1.00 21.05 S +ATOM 77 CE MET A 10 -4.545 7.153 0.009 1.00 21.21 C +ATOM 78 C MET A 10 -2.351 11.684 -0.222 1.00 13.64 C +ATOM 79 O MET A 10 -2.227 11.526 1.010 1.00 12.82 O +ATOM 80 N MET A 11 -1.422 12.302 -0.986 1.00 12.90 N +ATOM 81 CA MET A 11 -0.214 12.978 -0.438 1.00 14.44 C +ATOM 82 CB MET A 11 0.704 13.470 -1.567 1.00 12.49 C +ATOM 83 CG MET A 11 1.428 12.320 -2.250 1.00 14.38 C +ATOM 84 SD MET A 11 2.386 12.677 -3.757 1.00 14.01 S +ATOM 85 CE MET A 11 3.976 13.088 -3.023 1.00 15.48 C +ATOM 86 C MET A 11 -0.629 14.143 0.459 1.00 13.69 C +ATOM 87 O MET A 11 -0.228 14.229 1.610 1.00 13.74 O +ATOM 88 N ILE A 12 -1.481 15.008 -0.083 1.00 12.10 N +ATOM 89 CA ILE A 12 -2.049 16.103 0.664 1.00 17.28 C +ATOM 90 CB ILE A 12 -3.100 16.825 -0.202 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -2.401 17.671 -1.234 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -3.359 18.231 -2.287 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -4.029 17.681 0.651 1.00 23.33 C +ATOM 94 C ILE A 12 -2.697 15.597 1.966 1.00 13.47 C +ATOM 95 O ILE A 12 -2.426 16.088 3.061 1.00 14.37 O +ATOM 96 N ALA A 13 -3.560 14.591 1.828 1.00 14.13 N +ATOM 97 CA ALA A 13 -4.288 14.023 2.939 1.00 11.62 C +ATOM 98 CB ALA A 13 -5.221 12.952 2.470 1.00 10.69 C +ATOM 99 C ALA A 13 -3.364 13.479 4.025 1.00 13.08 C +ATOM 100 O ALA A 13 -3.597 13.728 5.185 1.00 14.09 O +ATOM 101 N CYS A 14 -2.306 12.756 3.632 1.00 12.24 N +ATOM 102 CA CYS A 14 -1.334 12.232 4.598 1.00 14.03 C +ATOM 103 CB CYS A 14 -0.343 11.275 3.893 1.00 12.92 C +ATOM 104 SG CYS A 14 -1.073 9.684 3.499 1.00 12.25 S +ATOM 105 C CYS A 14 -0.548 13.355 5.340 1.00 12.57 C +ATOM 106 O CYS A 14 -0.250 13.252 6.541 1.00 9.48 O +ATOM 107 N VAL A 15 -0.234 14.425 4.607 1.00 9.94 N +ATOM 108 CA VAL A 15 0.485 15.525 5.184 1.00 11.41 C +ATOM 109 CB VAL A 15 1.040 16.443 4.116 1.00 11.06 C +ATOM 110 CG1 VAL A 15 1.632 17.660 4.791 1.00 10.96 C +ATOM 111 CG2 VAL A 15 2.110 15.683 3.291 1.00 10.71 C +ATOM 112 C VAL A 15 -0.390 16.273 6.189 1.00 13.34 C +ATOM 113 O VAL A 15 0.037 16.552 7.323 1.00 9.03 O +ATOM 114 N VAL A 16 -1.626 16.563 5.784 1.00 13.58 N +ATOM 115 CA VAL A 16 -2.582 17.233 6.681 1.00 18.01 C +ATOM 116 CB VAL A 16 -3.922 17.515 5.965 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -4.978 17.959 6.944 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -3.744 18.613 4.940 1.00 15.20 C +ATOM 119 C VAL A 16 -2.791 16.412 7.975 1.00 12.72 C +ATOM 120 O VAL A 16 -2.794 16.962 9.062 1.00 10.60 O +ATOM 121 N VAL A 17 -2.983 15.096 7.833 1.00 11.76 N +ATOM 122 CA VAL A 17 -3.165 14.255 8.981 1.00 11.25 C +ATOM 123 CB VAL A 17 -3.573 12.835 8.617 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -3.614 11.951 9.893 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -4.943 12.838 7.947 1.00 13.31 C +ATOM 126 C VAL A 17 -1.902 14.258 9.886 1.00 10.41 C +ATOM 127 O VAL A 17 -2.006 14.339 11.091 1.00 7.15 O +ATOM 128 N PHE A 18 -0.720 14.223 9.267 1.00 9.81 N +ATOM 129 CA PHE A 18 0.534 14.235 9.999 1.00 8.70 C +ATOM 130 CB PHE A 18 1.695 14.083 9.002 1.00 9.07 C +ATOM 131 CG PHE A 18 3.024 13.806 9.663 1.00 9.17 C +ATOM 132 CD1 PHE A 18 3.260 12.581 10.295 1.00 9.97 C +ATOM 133 CE1 PHE A 18 4.483 12.316 10.894 1.00 11.77 C +ATOM 134 CZ PHE A 18 5.472 13.275 10.892 1.00 11.90 C +ATOM 135 CE2 PHE A 18 5.238 14.487 10.255 1.00 12.88 C +ATOM 136 CD2 PHE A 18 4.004 14.734 9.648 1.00 9.87 C +ATOM 137 C PHE A 18 0.682 15.508 10.834 1.00 8.93 C +ATOM 138 O PHE A 18 1.157 15.482 11.972 1.00 9.10 O +ATOM 139 N ILE A 19 0.304 16.648 10.243 1.00 8.90 N +ATOM 140 CA ILE A 19 0.315 17.917 10.917 1.00 8.28 C +ATOM 141 CB ILE A 19 -0.088 19.041 9.962 1.00 9.07 C +ATOM 142 CG1 ILE A 19 1.039 19.280 8.957 1.00 8.90 C +ATOM 143 CD1 ILE A 19 0.719 20.346 7.925 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -0.337 20.329 10.731 1.00 9.09 C +ATOM 145 C ILE A 19 -0.627 17.906 12.134 1.00 8.37 C +ATOM 146 O ILE A 19 -0.251 18.322 13.255 1.00 7.02 O +ATOM 147 N ALA A 20 -1.846 17.415 11.914 1.00 8.61 N +ATOM 148 CA ALA A 20 -2.819 17.292 12.971 1.00 8.46 C +ATOM 149 CB ALA A 20 -4.076 16.643 12.443 1.00 6.88 C +ATOM 150 C ALA A 20 -2.227 16.438 14.121 1.00 9.83 C +ATOM 151 O ALA A 20 -2.456 16.731 15.313 1.00 10.17 O +ATOM 152 N MET A 21 -1.519 15.355 13.754 1.00 8.36 N +ATOM 153 CA MET A 21 -0.931 14.472 14.711 1.00 7.84 C +ATOM 154 CB MET A 21 -0.375 13.217 14.019 1.00 10.18 C +ATOM 155 CG MET A 21 -1.422 12.329 13.402 1.00 9.75 C +ATOM 156 SD MET A 21 -0.788 10.889 12.514 1.00 11.62 S +ATOM 157 CE MET A 21 -0.317 9.895 13.939 1.00 11.65 C +ATOM 158 C MET A 21 0.149 15.212 15.504 1.00 8.45 C +ATOM 159 O MET A 21 0.309 14.980 16.707 1.00 9.99 O +ATOM 160 N GLN A 22 0.893 16.123 14.861 1.00 8.76 N +ATOM 161 CA GLN A 22 1.959 16.871 15.611 1.00 8.75 C +ATOM 162 CB GLN A 22 2.981 17.595 14.703 1.00 8.72 C +ATOM 163 CG GLN A 22 3.639 16.757 13.598 1.00 13.04 C +ATOM 164 CD GLN A 22 4.001 15.327 14.026 1.00 12.79 C +ATOM 165 OE1 GLN A 22 4.847 15.146 14.896 1.00 11.44 O +ATOM 166 NE2 GLN A 22 3.347 14.316 13.425 1.00 13.13 N +ATOM 167 C GLN A 22 1.379 17.897 16.603 1.00 8.93 C +ATOM 168 O GLN A 22 1.968 18.175 17.615 1.00 9.72 O +ATOM 169 N ILE A 23 0.235 18.489 16.268 1.00 8.82 N +ATOM 170 CA ILE A 23 -0.402 19.500 17.090 1.00 8.84 C +ATOM 171 CB ILE A 23 -1.442 20.291 16.250 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -0.745 21.081 15.118 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -1.715 21.559 14.046 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -2.266 21.226 17.126 1.00 8.45 C +ATOM 175 C ILE A 23 -1.135 18.835 18.247 1.00 8.69 C +ATOM 176 O ILE A 23 -0.964 19.180 19.397 1.00 8.45 O +ATOM 177 N LEU A 24 -1.986 17.867 17.909 1.00 9.04 N +ATOM 178 CA LEU A 24 -2.901 17.218 18.842 1.00 9.19 C +ATOM 179 CB LEU A 24 -4.114 16.779 18.051 1.00 9.90 C +ATOM 180 CG LEU A 24 -4.984 17.857 17.398 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -6.171 17.214 16.670 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -5.450 18.870 18.454 1.00 13.72 C +ATOM 183 C LEU A 24 -2.296 15.978 19.565 1.00 10.54 C +ATOM 184 O LEU A 24 -2.837 15.515 20.595 1.00 10.70 O +ATOM 185 N GLY A 25 -1.198 15.436 19.003 1.00 9.22 N +ATOM 186 CA GLY A 25 -0.608 14.199 19.465 1.00 8.44 C +ATOM 187 C GLY A 25 -1.221 13.054 18.677 1.00 7.11 C +ATOM 188 O GLY A 25 -2.352 13.112 18.194 1.00 8.08 O +ATOM 189 N ASP A 26 -0.433 12.005 18.485 1.00 7.41 N +ATOM 190 CA ASP A 26 -0.871 10.810 17.752 1.00 8.57 C +ATOM 191 CB ASP A 26 0.221 9.755 17.815 1.00 8.77 C +ATOM 192 CG ASP A 26 1.487 10.154 17.034 1.00 11.15 C +ATOM 193 OD1 ASP A 26 1.530 11.258 16.388 1.00 9.80 O +ATOM 194 OD2 ASP A 26 2.457 9.359 17.127 1.00 13.47 O +ATOM 195 C ASP A 26 -2.169 10.166 18.258 1.00 8.19 C +ATOM 196 O ASP A 26 -3.030 9.777 17.474 1.00 7.73 O +ATOM 197 N GLN A 27 -2.308 10.063 19.582 1.00 9.65 N +ATOM 198 CA GLN A 27 -3.384 9.248 20.141 1.00 10.93 C +ATOM 199 CB GLN A 27 -3.069 8.667 21.552 1.00 12.23 C +ATOM 200 CG GLN A 27 -2.099 9.373 22.514 1.00 14.65 C +ATOM 201 CD GLN A 27 -0.731 9.768 21.951 1.00 13.37 C +ATOM 202 OE1 GLN A 27 -0.422 10.937 21.882 1.00 10.98 O +ATOM 203 NE2 GLN A 27 0.085 8.792 21.565 1.00 18.13 N +ATOM 204 C GLN A 27 -4.771 9.943 20.007 1.00 10.39 C +ATOM 205 O GLN A 27 -5.788 9.276 19.857 1.00 8.26 O +ATOM 206 N GLU A 28 -4.787 11.282 20.022 1.00 9.56 N +ATOM 207 CA GLU A 28 -6.010 12.060 19.729 1.00 8.86 C +ATOM 208 CB GLU A 28 -5.778 13.542 19.958 1.00 10.52 C +ATOM 209 CG GLU A 28 -6.975 14.426 19.664 1.00 12.28 C +ATOM 210 CD GLU A 28 -8.185 14.081 20.490 1.00 13.68 C +ATOM 211 OE1 GLU A 28 -8.052 13.622 21.637 1.00 16.22 O +ATOM 212 OE2 GLU A 28 -9.284 14.276 19.987 1.00 18.20 O +ATOM 213 C GLU A 28 -6.455 11.848 18.294 1.00 7.50 C +ATOM 214 O GLU A 28 -7.629 11.751 18.041 1.00 6.97 O +ATOM 215 N VAL A 29 -5.509 11.749 17.358 1.00 7.10 N +ATOM 216 CA VAL A 29 -5.840 11.493 15.970 1.00 7.74 C +ATOM 217 CB VAL A 29 -4.775 11.960 14.948 1.00 7.94 C +ATOM 218 CG1 VAL A 29 -5.242 11.694 13.503 1.00 8.07 C +ATOM 219 CG2 VAL A 29 -4.519 13.466 15.086 1.00 8.53 C +ATOM 220 C VAL A 29 -6.256 10.032 15.741 1.00 9.26 C +ATOM 221 O VAL A 29 -7.239 9.780 15.040 1.00 11.33 O +ATOM 222 N MET A 30 -5.529 9.072 16.313 1.00 10.79 N +ATOM 223 CA MET A 30 -6.003 7.663 16.364 1.00 11.74 C +ATOM 224 CB MET A 30 -5.146 6.823 17.311 1.00 14.27 C +ATOM 225 CG MET A 30 -3.627 6.664 16.947 1.00 15.81 C +ATOM 226 SD MET A 30 -3.356 5.058 16.224 1.00 33.08 S +ATOM 227 CE MET A 30 -3.938 5.514 14.643 1.00 20.74 C +ATOM 228 C MET A 30 -7.487 7.572 16.815 1.00 14.59 C +ATOM 229 O MET A 30 -8.307 6.837 16.193 1.00 12.77 O +ATOM 230 N LEU A 31 -7.860 8.332 17.856 1.00 14.76 N +ATOM 231 CA LEU A 31 -9.257 8.329 18.337 1.00 15.82 C +ATOM 232 CB LEU A 31 -9.547 9.420 19.330 1.00 17.44 C +ATOM 233 CG LEU A 31 -9.151 9.271 20.772 1.00 16.70 C +ATOM 234 CD1 LEU A 31 -10.012 10.277 21.515 1.00 17.12 C +ATOM 235 CD2 LEU A 31 -9.364 7.871 21.316 1.00 21.43 C +ATOM 236 C LEU A 31 -10.272 8.530 17.236 1.00 14.45 C +ATOM 237 O LEU A 31 -11.346 7.927 17.248 1.00 13.84 O +ATOM 238 N TRP A 32 -9.943 9.398 16.288 1.00 12.40 N +ATOM 239 CA TRP A 32 -10.850 9.712 15.190 1.00 14.56 C +ATOM 240 CB TRP A 32 -10.691 11.187 14.746 1.00 18.78 C +ATOM 241 CG TRP A 32 -11.484 12.103 15.659 1.00 32.68 C +ATOM 242 CD1 TRP A 32 -11.206 12.385 16.969 1.00 39.08 C +ATOM 243 NE1 TRP A 32 -12.167 13.210 17.492 1.00 42.94 N +ATOM 244 CE2 TRP A 32 -13.102 13.476 16.526 1.00 50.90 C +ATOM 245 CD2 TRP A 32 -12.713 12.779 15.357 1.00 45.18 C +ATOM 246 CE3 TRP A 32 -13.511 12.888 14.205 1.00 57.47 C +ATOM 247 CZ3 TRP A 32 -14.661 13.689 14.258 1.00 57.42 C +ATOM 248 CH2 TRP A 32 -15.018 14.374 15.442 1.00 59.65 C +ATOM 249 CZ2 TRP A 32 -14.259 14.279 16.579 1.00 59.24 C +ATOM 250 C TRP A 32 -10.719 8.778 14.018 1.00 14.53 C +ATOM 251 O TRP A 32 -11.718 8.434 13.402 1.00 15.15 O +ATOM 252 N LEU A 33 -9.479 8.392 13.685 1.00 14.48 N +ATOM 253 CA LEU A 33 -9.207 7.743 12.393 1.00 13.03 C +ATOM 254 CB LEU A 33 -8.145 8.508 11.654 1.00 11.82 C +ATOM 255 CG LEU A 33 -8.464 9.958 11.289 1.00 15.06 C +ATOM 256 CD1 LEU A 33 -7.269 10.537 10.548 1.00 16.02 C +ATOM 257 CD2 LEU A 33 -9.700 10.059 10.425 1.00 17.26 C +ATOM 258 C LEU A 33 -8.787 6.288 12.460 1.00 12.50 C +ATOM 259 O LEU A 33 -8.604 5.673 11.433 1.00 14.24 O +ATOM 260 N ALA A 34 -8.534 5.762 13.660 1.00 11.25 N +ATOM 261 CA ALA A 34 -8.021 4.404 13.776 1.00 14.07 C +ATOM 262 CB ALA A 34 -7.468 4.123 15.158 1.00 12.90 C +ATOM 263 C ALA A 34 -9.134 3.407 13.437 1.00 10.89 C +ATOM 264 O ALA A 34 -10.314 3.716 13.567 1.00 9.58 O +ATOM 265 N TRP A 35 -8.729 2.233 12.978 1.00 9.03 N +ATOM 266 CA TRP A 35 -9.608 1.061 12.947 1.00 10.73 C +ATOM 267 CB TRP A 35 -8.734 -0.192 12.791 1.00 8.48 C +ATOM 268 CG TRP A 35 -9.532 -1.449 12.446 1.00 8.22 C +ATOM 269 CD1 TRP A 35 -10.184 -2.254 13.323 1.00 7.83 C +ATOM 270 NE1 TRP A 35 -10.734 -3.285 12.672 1.00 7.62 N +ATOM 271 CE2 TRP A 35 -10.501 -3.149 11.330 1.00 7.64 C +ATOM 272 CD2 TRP A 35 -9.720 -2.018 11.160 1.00 7.37 C +ATOM 273 CE3 TRP A 35 -9.316 -1.658 9.860 1.00 9.38 C +ATOM 274 CZ3 TRP A 35 -9.708 -2.476 8.777 1.00 7.84 C +ATOM 275 CH2 TRP A 35 -10.459 -3.623 8.996 1.00 8.57 C +ATOM 276 CZ2 TRP A 35 -10.888 -3.970 10.254 1.00 7.63 C +ATOM 277 C TRP A 35 -10.429 0.956 14.231 1.00 11.27 C +ATOM 278 O TRP A 35 -9.904 1.178 15.313 1.00 9.35 O +ATOM 279 N PRO A 36 -11.730 0.584 14.186 1.00 12.00 N +ATOM 280 CA PRO A 36 -12.555 0.610 15.393 1.00 11.46 C +ATOM 281 CB PRO A 36 -13.848 -0.023 14.948 1.00 11.66 C +ATOM 282 CG PRO A 36 -13.873 0.181 13.474 1.00 13.54 C +ATOM 283 CD PRO A 36 -12.475 0.163 12.993 1.00 13.31 C +ATOM 284 C PRO A 36 -11.919 -0.174 16.508 1.00 11.59 C +ATOM 285 O PRO A 36 -11.621 -1.348 16.353 1.00 10.46 O +ATOM 286 N PHE A 37 -11.709 0.490 17.642 1.00 13.56 N +ATOM 287 CA PHE A 37 -11.047 -0.135 18.780 1.00 14.55 C +ATOM 288 CB PHE A 37 -9.874 0.733 19.285 1.00 13.96 C +ATOM 289 CG PHE A 37 -10.196 2.187 19.366 1.00 11.55 C +ATOM 290 CD2 PHE A 37 -9.920 3.026 18.316 1.00 12.09 C +ATOM 291 CE2 PHE A 37 -10.269 4.375 18.369 1.00 11.27 C +ATOM 292 CZ PHE A 37 -10.846 4.880 19.499 1.00 11.14 C +ATOM 293 CE1 PHE A 37 -11.117 4.042 20.567 1.00 11.63 C +ATOM 294 CD1 PHE A 37 -10.808 2.706 20.488 1.00 12.46 C +ATOM 295 C PHE A 37 -12.058 -0.385 19.865 1.00 13.37 C +ATOM 296 O PHE A 37 -11.730 -0.874 20.912 1.00 14.81 O +ATOM 297 N ASP A 38 -13.317 -0.080 19.576 1.00 17.05 N +ATOM 298 CA ASP A 38 -14.440 -0.339 20.475 1.00 19.15 C +ATOM 299 CB ASP A 38 -14.782 0.943 21.218 1.00 20.34 C +ATOM 300 CG ASP A 38 -15.622 0.687 22.435 1.00 30.28 C +ATOM 301 OD1 ASP A 38 -15.175 -0.114 23.275 1.00 44.07 O +ATOM 302 OD2 ASP A 38 -16.730 1.252 22.547 1.00 34.29 O +ATOM 303 C ASP A 38 -15.632 -0.749 19.616 1.00 15.90 C +ATOM 304 O ASP A 38 -15.806 -0.193 18.530 1.00 16.79 O +ATOM 305 N PRO A 39 -16.519 -1.669 20.078 1.00 20.32 N +ATOM 306 CA PRO A 39 -17.703 -2.053 19.293 1.00 16.16 C +ATOM 307 CB PRO A 39 -18.495 -2.966 20.235 1.00 15.98 C +ATOM 308 CG PRO A 39 -17.547 -3.359 21.311 1.00 18.68 C +ATOM 309 CD PRO A 39 -16.431 -2.373 21.375 1.00 17.52 C +ATOM 310 C PRO A 39 -18.590 -0.890 18.906 1.00 16.16 C +ATOM 311 O PRO A 39 -19.177 -0.896 17.826 1.00 21.77 O +ATOM 312 N THR A 40 -18.680 0.119 19.772 1.00 11.59 N +ATOM 313 CA THR A 40 -19.466 1.277 19.467 1.00 10.55 C +ATOM 314 CB THR A 40 -19.552 2.197 20.674 1.00 11.60 C +ATOM 315 OG1 THR A 40 -18.240 2.608 21.020 1.00 18.55 O +ATOM 316 CG2 THR A 40 -20.139 1.497 21.877 1.00 10.47 C +ATOM 317 C THR A 40 -18.961 2.073 18.240 1.00 12.17 C +ATOM 318 O THR A 40 -19.662 2.965 17.771 1.00 13.12 O +ATOM 319 N LEU A 41 -17.752 1.770 17.737 1.00 10.51 N +ATOM 320 CA LEU A 41 -17.169 2.499 16.607 1.00 11.95 C +ATOM 321 CB LEU A 41 -15.687 2.849 16.871 1.00 14.91 C +ATOM 322 CG LEU A 41 -15.388 3.530 18.256 1.00 17.34 C +ATOM 323 CD1 LEU A 41 -13.924 3.861 18.485 1.00 16.53 C +ATOM 324 CD2 LEU A 41 -16.212 4.793 18.453 1.00 15.46 C +ATOM 325 C LEU A 41 -17.318 1.730 15.295 1.00 12.84 C +ATOM 326 O LEU A 41 -16.887 2.193 14.234 1.00 11.38 O +ATOM 327 N LYS A 42 -17.942 0.548 15.380 1.00 12.67 N +ATOM 328 CA LYS A 42 -18.014 -0.378 14.280 1.00 13.81 C +ATOM 329 CB LYS A 42 -18.664 -1.682 14.747 1.00 16.24 C +ATOM 330 CG LYS A 42 -20.158 -1.585 15.074 1.00 22.83 C +ATOM 331 CD LYS A 42 -20.649 -2.760 15.943 1.00 21.04 C +ATOM 332 CE LYS A 42 -21.816 -2.368 16.845 1.00 23.94 C +ATOM 333 NZ LYS A 42 -21.856 -3.217 18.084 1.00 32.66 N +ATOM 334 C LYS A 42 -18.741 0.239 13.083 1.00 15.51 C +ATOM 335 O LYS A 42 -18.416 -0.084 11.932 1.00 11.66 O +ATOM 336 N PHE A 43 -19.681 1.164 13.347 1.00 17.22 N +ATOM 337 CA PHE A 43 -20.430 1.814 12.262 1.00 20.93 C +ATOM 338 CB PHE A 43 -21.829 2.142 12.752 1.00 22.33 C +ATOM 339 CG PHE A 43 -22.579 0.947 13.299 1.00 20.58 C +ATOM 340 CD1 PHE A 43 -22.980 -0.081 12.452 1.00 20.68 C +ATOM 341 CE1 PHE A 43 -23.686 -1.176 12.929 1.00 24.15 C +ATOM 342 CZ PHE A 43 -24.001 -1.257 14.280 1.00 26.39 C +ATOM 343 CE2 PHE A 43 -23.618 -0.228 15.143 1.00 32.87 C +ATOM 344 CD2 PHE A 43 -22.897 0.862 14.650 1.00 28.63 C +ATOM 345 C PHE A 43 -19.763 3.029 11.574 1.00 27.18 C +ATOM 346 O PHE A 43 -20.221 3.475 10.507 1.00 25.90 O +ATOM 347 N GLU A 44 -18.646 3.498 12.149 1.00 22.49 N +ATOM 348 CA GLU A 44 -17.895 4.648 11.651 1.00 15.89 C +ATOM 349 CB GLU A 44 -17.134 5.288 12.812 1.00 15.72 C +ATOM 350 CG GLU A 44 -18.096 5.891 13.824 1.00 15.25 C +ATOM 351 CD GLU A 44 -17.460 6.557 15.048 1.00 21.01 C +ATOM 352 OE1 GLU A 44 -16.224 6.672 15.191 1.00 16.50 O +ATOM 353 OE2 GLU A 44 -18.231 6.970 15.938 1.00 23.93 O +ATOM 354 C GLU A 44 -17.009 4.171 10.494 1.00 16.81 C +ATOM 355 O GLU A 44 -15.798 3.894 10.665 1.00 11.81 O +ATOM 356 N PHE A 45 -17.636 4.149 9.304 1.00 16.82 N +ATOM 357 CA PHE A 45 -17.180 3.464 8.081 1.00 19.36 C +ATOM 358 CB PHE A 45 -18.198 3.633 6.892 1.00 23.18 C +ATOM 359 CG PHE A 45 -18.453 5.081 6.457 1.00 30.12 C +ATOM 360 CD1 PHE A 45 -19.405 5.870 7.102 1.00 31.35 C +ATOM 361 CE1 PHE A 45 -19.638 7.179 6.702 1.00 34.10 C +ATOM 362 CZ PHE A 45 -18.931 7.717 5.647 1.00 29.11 C +ATOM 363 CE2 PHE A 45 -17.988 6.951 4.990 1.00 29.48 C +ATOM 364 CD2 PHE A 45 -17.758 5.642 5.381 1.00 33.40 C +ATOM 365 C PHE A 45 -15.781 3.828 7.630 1.00 15.69 C +ATOM 366 O PHE A 45 -15.035 2.979 7.132 1.00 15.15 O +ATOM 367 N TRP A 46 -15.444 5.109 7.793 1.00 15.30 N +ATOM 368 CA TRP A 46 -14.157 5.659 7.371 1.00 12.11 C +ATOM 369 CB TRP A 46 -14.116 7.157 7.639 1.00 11.86 C +ATOM 370 CG TRP A 46 -14.116 7.547 9.082 1.00 11.95 C +ATOM 371 CD1 TRP A 46 -13.027 7.675 9.875 1.00 14.46 C +ATOM 372 NE1 TRP A 46 -13.406 8.054 11.143 1.00 13.21 N +ATOM 373 CE2 TRP A 46 -14.761 8.232 11.163 1.00 12.73 C +ATOM 374 CD2 TRP A 46 -15.241 7.932 9.882 1.00 14.22 C +ATOM 375 CE3 TRP A 46 -16.623 8.052 9.635 1.00 19.55 C +ATOM 376 CZ3 TRP A 46 -17.457 8.430 10.684 1.00 16.83 C +ATOM 377 CH2 TRP A 46 -16.934 8.726 11.951 1.00 19.93 C +ATOM 378 CZ2 TRP A 46 -15.598 8.640 12.209 1.00 16.01 C +ATOM 379 C TRP A 46 -12.970 4.942 8.045 1.00 11.22 C +ATOM 380 O TRP A 46 -11.941 4.791 7.444 1.00 12.05 O +ATOM 381 N ARG A 47 -13.133 4.535 9.311 1.00 12.46 N +ATOM 382 CA ARG A 47 -12.068 3.879 10.086 1.00 12.68 C +ATOM 383 CB ARG A 47 -12.610 3.427 11.429 1.00 11.77 C +ATOM 384 CG ARG A 47 -13.019 4.609 12.262 1.00 11.77 C +ATOM 385 CD ARG A 47 -13.546 4.169 13.584 1.00 12.31 C +ATOM 386 NE ARG A 47 -13.907 5.288 14.429 1.00 14.80 N +ATOM 387 CZ ARG A 47 -13.074 5.958 15.235 1.00 17.44 C +ATOM 388 NH1 ARG A 47 -11.796 5.616 15.362 1.00 16.23 N +ATOM 389 NH2 ARG A 47 -13.536 6.951 15.980 1.00 14.30 N +ATOM 390 C ARG A 47 -11.411 2.675 9.385 1.00 12.29 C +ATOM 391 O ARG A 47 -10.258 2.348 9.661 1.00 9.14 O +ATOM 392 N TYR A 48 -12.151 2.009 8.487 1.00 10.04 N +ATOM 393 CA TYR A 48 -11.655 0.785 7.875 1.00 10.43 C +ATOM 394 CB TYR A 48 -12.843 -0.073 7.315 1.00 10.84 C +ATOM 395 CG TYR A 48 -13.808 -0.516 8.401 1.00 7.71 C +ATOM 396 CD1 TYR A 48 -13.446 -1.505 9.307 1.00 7.71 C +ATOM 397 CE1 TYR A 48 -14.292 -1.929 10.306 1.00 6.25 C +ATOM 398 CZ TYR A 48 -15.531 -1.366 10.422 1.00 6.42 C +ATOM 399 OH TYR A 48 -16.383 -1.816 11.433 1.00 6.77 O +ATOM 400 CE2 TYR A 48 -15.936 -0.400 9.532 1.00 6.94 C +ATOM 401 CD2 TYR A 48 -15.081 0.025 8.526 1.00 8.10 C +ATOM 402 C TYR A 48 -10.631 1.132 6.824 1.00 10.47 C +ATOM 403 O TYR A 48 -9.883 0.262 6.357 1.00 9.93 O +ATOM 404 N PHE A 49 -10.562 2.427 6.507 1.00 10.22 N +ATOM 405 CA PHE A 49 -9.627 3.005 5.529 1.00 13.54 C +ATOM 406 CB PHE A 49 -10.430 3.625 4.364 1.00 13.65 C +ATOM 407 CG PHE A 49 -11.432 2.646 3.769 1.00 10.24 C +ATOM 408 CD1 PHE A 49 -11.060 1.783 2.751 1.00 11.08 C +ATOM 409 CE1 PHE A 49 -11.941 0.853 2.236 1.00 9.94 C +ATOM 410 CZ PHE A 49 -13.214 0.800 2.755 1.00 10.35 C +ATOM 411 CE2 PHE A 49 -13.575 1.637 3.790 1.00 10.99 C +ATOM 412 CD2 PHE A 49 -12.682 2.547 4.283 1.00 9.51 C +ATOM 413 C PHE A 49 -8.636 4.048 6.092 1.00 11.86 C +ATOM 414 O PHE A 49 -7.472 4.076 5.702 1.00 11.51 O +ATOM 415 N THR A 50 -9.094 4.877 7.022 1.00 12.55 N +ATOM 416 CA THR A 50 -8.330 6.038 7.399 1.00 14.45 C +ATOM 417 CB THR A 50 -9.195 7.083 8.061 1.00 15.19 C +ATOM 418 OG1 THR A 50 -9.856 6.486 9.167 1.00 14.97 O +ATOM 419 CG2 THR A 50 -10.191 7.724 7.033 1.00 15.23 C +ATOM 420 C THR A 50 -7.117 5.750 8.331 1.00 14.00 C +ATOM 421 O THR A 50 -6.277 6.620 8.499 1.00 13.59 O +ATOM 422 N HIS A 51 -7.009 4.518 8.862 1.00 12.10 N +ATOM 423 CA HIS A 51 -5.779 4.027 9.474 1.00 11.62 C +ATOM 424 CB HIS A 51 -5.928 2.564 9.906 1.00 13.56 C +ATOM 425 CG HIS A 51 -6.211 1.632 8.762 1.00 12.87 C +ATOM 426 ND1 HIS A 51 -5.218 1.159 7.929 1.00 8.49 N +ATOM 427 CE1 HIS A 51 -5.772 0.413 6.984 1.00 12.06 C +ATOM 428 NE2 HIS A 51 -7.090 0.399 7.164 1.00 12.69 N +ATOM 429 CD2 HIS A 51 -7.389 1.174 8.258 1.00 9.97 C +ATOM 430 C HIS A 51 -4.542 4.227 8.517 1.00 12.16 C +ATOM 431 O HIS A 51 -3.397 4.531 8.956 1.00 11.44 O +ATOM 432 N ALA A 52 -4.781 4.149 7.210 1.00 10.69 N +ATOM 433 CA ALA A 52 -3.718 4.327 6.223 1.00 11.23 C +ATOM 434 CB ALA A 52 -4.146 3.798 4.865 1.00 13.23 C +ATOM 435 C ALA A 52 -3.122 5.746 6.067 1.00 9.35 C +ATOM 436 O ALA A 52 -2.003 5.887 5.536 1.00 9.41 O +ATOM 437 N LEU A 53 -3.817 6.741 6.610 1.00 9.87 N +ATOM 438 CA LEU A 53 -3.479 8.185 6.490 1.00 12.33 C +ATOM 439 CB LEU A 53 -4.746 9.030 6.430 1.00 11.52 C +ATOM 440 CG LEU A 53 -5.661 8.719 5.228 1.00 16.11 C +ATOM 441 CD1 LEU A 53 -6.846 9.663 5.239 1.00 15.54 C +ATOM 442 CD2 LEU A 53 -4.939 8.846 3.884 1.00 16.40 C +ATOM 443 C LEU A 53 -2.621 8.733 7.621 1.00 13.74 C +ATOM 444 O LEU A 53 -2.185 9.864 7.550 1.00 16.46 O +ATOM 445 N MET A 54 -2.398 7.915 8.668 1.00 14.40 N +ATOM 446 CA MET A 54 -1.666 8.322 9.868 1.00 10.98 C +ATOM 447 CB MET A 54 -2.358 7.720 11.073 1.00 10.55 C +ATOM 448 CG MET A 54 -3.609 8.447 11.441 1.00 13.54 C +ATOM 449 SD MET A 54 -4.380 7.850 12.945 1.00 10.40 S +ATOM 450 CE MET A 54 -5.011 6.298 12.258 1.00 9.03 C +ATOM 451 C MET A 54 -0.230 7.769 9.810 1.00 12.18 C +ATOM 452 O MET A 54 -0.006 6.604 9.477 1.00 12.58 O +ATOM 453 N HIS A 55 0.747 8.622 10.123 1.00 12.28 N +ATOM 454 CA HIS A 55 2.098 8.199 10.300 1.00 11.39 C +ATOM 455 CB HIS A 55 2.963 8.692 9.149 1.00 11.48 C +ATOM 456 CG HIS A 55 2.541 8.153 7.834 1.00 12.61 C +ATOM 457 ND1 HIS A 55 1.594 8.779 7.040 1.00 13.59 N +ATOM 458 CE1 HIS A 55 1.408 8.067 5.949 1.00 14.30 C +ATOM 459 NE2 HIS A 55 2.173 6.989 6.013 1.00 12.53 N +ATOM 460 CD2 HIS A 55 2.892 7.019 7.187 1.00 14.17 C +ATOM 461 C HIS A 55 2.668 8.620 11.643 1.00 11.45 C +ATOM 462 O HIS A 55 2.372 9.663 12.132 1.00 13.10 O +ATOM 463 N PHE A 56 3.542 7.778 12.200 1.00 10.11 N +ATOM 464 CA PHE A 56 4.119 7.993 13.534 1.00 9.89 C +ATOM 465 CB PHE A 56 4.072 6.683 14.317 1.00 10.76 C +ATOM 466 CG PHE A 56 2.704 6.090 14.346 1.00 13.55 C +ATOM 467 CD1 PHE A 56 1.649 6.800 14.954 1.00 14.41 C +ATOM 468 CE1 PHE A 56 0.351 6.285 14.966 1.00 21.55 C +ATOM 469 CZ PHE A 56 0.094 5.054 14.376 1.00 23.29 C +ATOM 470 CE2 PHE A 56 1.143 4.319 13.815 1.00 17.99 C +ATOM 471 CD2 PHE A 56 2.442 4.853 13.784 1.00 17.37 C +ATOM 472 C PHE A 56 5.496 8.531 13.540 1.00 8.06 C +ATOM 473 O PHE A 56 5.979 8.913 14.568 1.00 11.21 O +ATOM 474 N SER A 57 6.130 8.577 12.377 1.00 9.25 N +ATOM 475 CA SER A 57 7.450 9.092 12.237 1.00 12.25 C +ATOM 476 CB SER A 57 8.495 7.974 12.437 1.00 12.81 C +ATOM 477 OG SER A 57 8.674 7.232 11.239 1.00 15.25 O +ATOM 478 C SER A 57 7.629 9.762 10.855 1.00 12.91 C +ATOM 479 O SER A 57 7.036 9.361 9.859 1.00 14.35 O +ATOM 480 N LEU A 58 8.488 10.781 10.855 1.00 10.97 N +ATOM 481 CA LEU A 58 8.909 11.546 9.726 1.00 11.43 C +ATOM 482 CB LEU A 58 9.937 12.561 10.252 1.00 12.33 C +ATOM 483 CG LEU A 58 10.616 13.402 9.211 1.00 12.79 C +ATOM 484 CD1 LEU A 58 9.518 14.044 8.369 1.00 11.89 C +ATOM 485 CD2 LEU A 58 11.512 14.443 9.893 1.00 14.25 C +ATOM 486 C LEU A 58 9.554 10.675 8.655 1.00 13.71 C +ATOM 487 O LEU A 58 9.298 10.807 7.450 1.00 11.94 O +ATOM 488 N MET A 59 10.419 9.768 9.104 1.00 16.33 N +ATOM 489 CA MET A 59 11.136 8.885 8.192 1.00 18.57 C +ATOM 490 CB MET A 59 12.197 8.124 9.000 1.00 23.05 C +ATOM 491 CG MET A 59 12.530 6.728 8.541 1.00 26.57 C +ATOM 492 SD MET A 59 14.314 6.470 8.632 1.00 22.79 S +ATOM 493 CE MET A 59 14.282 4.787 8.025 1.00 24.88 C +ATOM 494 C MET A 59 10.119 8.039 7.381 1.00 17.18 C +ATOM 495 O MET A 59 10.223 7.981 6.157 1.00 14.21 O +ATOM 496 N HIS A 60 9.085 7.508 8.057 1.00 14.12 N +ATOM 497 CA HIS A 60 8.094 6.646 7.429 1.00 16.07 C +ATOM 498 CB HIS A 60 7.398 5.817 8.488 1.00 22.58 C +ATOM 499 CG HIS A 60 8.277 4.741 9.044 1.00 33.20 C +ATOM 500 ND1 HIS A 60 7.844 3.794 9.948 1.00 45.90 N +ATOM 501 CE1 HIS A 60 8.846 2.980 10.233 1.00 78.09 C +ATOM 502 NE2 HIS A 60 9.910 3.359 9.543 1.00 53.30 N +ATOM 503 CD2 HIS A 60 9.572 4.447 8.784 1.00 50.39 C +ATOM 504 C HIS A 60 7.108 7.372 6.500 1.00 12.01 C +ATOM 505 O HIS A 60 6.807 6.860 5.407 1.00 10.26 O +ATOM 506 N ILE A 61 6.662 8.574 6.886 1.00 8.67 N +ATOM 507 CA ILE A 61 5.849 9.351 5.986 1.00 8.62 C +ATOM 508 CB ILE A 61 5.143 10.538 6.636 1.00 7.58 C +ATOM 509 CG1 ILE A 61 4.063 11.076 5.668 1.00 8.87 C +ATOM 510 CD1 ILE A 61 3.223 12.207 6.229 1.00 7.23 C +ATOM 511 CG2 ILE A 61 6.097 11.628 7.040 1.00 8.93 C +ATOM 512 C ILE A 61 6.610 9.663 4.707 1.00 8.60 C +ATOM 513 O ILE A 61 6.082 9.534 3.612 1.00 8.64 O +ATOM 514 N LEU A 62 7.881 10.006 4.833 1.00 12.67 N +ATOM 515 CA LEU A 62 8.691 10.397 3.681 1.00 13.90 C +ATOM 516 CB LEU A 62 10.006 11.035 4.108 1.00 18.30 C +ATOM 517 CG LEU A 62 9.876 12.480 4.639 1.00 22.68 C +ATOM 518 CD1 LEU A 62 11.126 12.905 5.422 1.00 23.25 C +ATOM 519 CD2 LEU A 62 9.618 13.462 3.503 1.00 22.18 C +ATOM 520 C LEU A 62 8.924 9.241 2.746 1.00 10.78 C +ATOM 521 O LEU A 62 8.695 9.359 1.562 1.00 8.81 O +ATOM 522 N PHE A 63 9.340 8.095 3.281 1.00 12.10 N +ATOM 523 CA PHE A 63 9.540 6.915 2.424 1.00 11.47 C +ATOM 524 CB PHE A 63 10.322 5.801 3.128 1.00 13.80 C +ATOM 525 CG PHE A 63 11.795 6.072 3.123 1.00 23.84 C +ATOM 526 CD1 PHE A 63 12.510 6.001 1.916 1.00 33.75 C +ATOM 527 CE1 PHE A 63 13.857 6.319 1.856 1.00 29.98 C +ATOM 528 CZ PHE A 63 14.501 6.741 2.994 1.00 27.25 C +ATOM 529 CE2 PHE A 63 13.813 6.841 4.182 1.00 23.24 C +ATOM 530 CD2 PHE A 63 12.455 6.526 4.251 1.00 23.06 C +ATOM 531 C PHE A 63 8.227 6.415 1.818 1.00 9.46 C +ATOM 532 O PHE A 63 8.208 6.121 0.633 1.00 9.63 O +ATOM 533 N ASN A 64 7.165 6.305 2.631 1.00 8.67 N +ATOM 534 CA ASN A 64 5.841 5.827 2.188 1.00 9.14 C +ATOM 535 CB ASN A 64 4.776 5.766 3.335 1.00 11.48 C +ATOM 536 CG ASN A 64 5.036 4.662 4.372 1.00 11.60 C +ATOM 537 OD1 ASN A 64 4.414 4.538 5.512 1.00 17.42 O +ATOM 538 ND2 ASN A 64 5.981 3.843 3.992 1.00 12.68 N +ATOM 539 C ASN A 64 5.387 6.754 1.024 1.00 8.26 C +ATOM 540 O ASN A 64 4.959 6.304 -0.027 1.00 10.86 O +ATOM 541 N LEU A 65 5.528 8.065 1.189 1.00 8.25 N +ATOM 542 CA LEU A 65 5.031 8.970 0.175 1.00 7.48 C +ATOM 543 CB LEU A 65 4.737 10.353 0.711 1.00 6.64 C +ATOM 544 CG LEU A 65 3.526 10.527 1.620 1.00 6.96 C +ATOM 545 CD1 LEU A 65 3.254 11.976 1.945 1.00 6.37 C +ATOM 546 CD2 LEU A 65 2.236 9.992 1.073 1.00 8.07 C +ATOM 547 C LEU A 65 5.876 8.980 -1.060 1.00 8.20 C +ATOM 548 O LEU A 65 5.352 9.267 -2.139 1.00 10.57 O +ATOM 549 N LEU A 66 7.176 8.695 -0.913 1.00 9.34 N +ATOM 550 CA LEU A 66 8.099 8.651 -2.032 1.00 11.79 C +ATOM 551 CB LEU A 66 9.539 8.411 -1.525 1.00 16.80 C +ATOM 552 CG LEU A 66 10.587 8.319 -2.661 1.00 26.77 C +ATOM 553 CD1 LEU A 66 10.745 9.659 -3.393 1.00 25.49 C +ATOM 554 CD2 LEU A 66 11.937 7.756 -2.175 1.00 27.68 C +ATOM 555 C LEU A 66 7.682 7.514 -2.965 1.00 10.64 C +ATOM 556 O LEU A 66 7.540 7.699 -4.187 1.00 15.70 O +ATOM 557 N TRP A 67 7.507 6.334 -2.371 1.00 9.19 N +ATOM 558 CA TRP A 67 7.064 5.126 -3.051 1.00 11.28 C +ATOM 559 CB TRP A 67 7.060 3.938 -2.075 1.00 13.34 C +ATOM 560 CG TRP A 67 8.401 3.304 -1.844 1.00 19.06 C +ATOM 561 CD1 TRP A 67 9.056 3.169 -0.643 1.00 22.33 C +ATOM 562 NE1 TRP A 67 10.218 2.480 -0.809 1.00 19.58 N +ATOM 563 CE2 TRP A 67 10.364 2.159 -2.134 1.00 18.03 C +ATOM 564 CD2 TRP A 67 9.213 2.646 -2.818 1.00 17.86 C +ATOM 565 CE3 TRP A 67 9.070 2.401 -4.187 1.00 14.96 C +ATOM 566 CZ3 TRP A 67 10.065 1.722 -4.840 1.00 19.37 C +ATOM 567 CH2 TRP A 67 11.227 1.240 -4.124 1.00 21.11 C +ATOM 568 CZ2 TRP A 67 11.378 1.447 -2.777 1.00 14.32 C +ATOM 569 C TRP A 67 5.669 5.251 -3.644 1.00 8.88 C +ATOM 570 O TRP A 67 5.460 4.849 -4.765 1.00 8.19 O +ATOM 571 N TRP A 68 4.720 5.775 -2.849 1.00 10.01 N +ATOM 572 CA TRP A 68 3.364 6.110 -3.311 1.00 10.75 C +ATOM 573 CB TRP A 68 2.521 6.732 -2.180 1.00 12.22 C +ATOM 574 CG TRP A 68 1.275 7.416 -2.701 1.00 10.28 C +ATOM 575 CD1 TRP A 68 1.139 8.743 -3.027 1.00 10.20 C +ATOM 576 NE1 TRP A 68 -0.111 8.986 -3.488 1.00 12.09 N +ATOM 577 CE2 TRP A 68 -0.821 7.824 -3.499 1.00 10.02 C +ATOM 578 CD2 TRP A 68 0.034 6.808 -2.981 1.00 9.02 C +ATOM 579 CE3 TRP A 68 -0.449 5.502 -2.863 1.00 9.05 C +ATOM 580 CZ3 TRP A 68 -1.800 5.242 -3.239 1.00 10.67 C +ATOM 581 CH2 TRP A 68 -2.640 6.298 -3.731 1.00 10.46 C +ATOM 582 CZ2 TRP A 68 -2.159 7.581 -3.890 1.00 10.72 C +ATOM 583 C TRP A 68 3.424 7.060 -4.520 1.00 12.58 C +ATOM 584 O TRP A 68 2.782 6.803 -5.552 1.00 12.72 O +ATOM 585 N TRP A 69 4.230 8.124 -4.419 1.00 9.65 N +ATOM 586 CA TRP A 69 4.337 9.066 -5.507 1.00 11.78 C +ATOM 587 CB TRP A 69 5.235 10.258 -5.095 1.00 14.65 C +ATOM 588 CG TRP A 69 5.481 11.368 -6.147 1.00 18.59 C +ATOM 589 CD1 TRP A 69 4.556 11.972 -6.940 1.00 24.42 C +ATOM 590 NE1 TRP A 69 5.144 12.918 -7.738 1.00 20.97 N +ATOM 591 CE2 TRP A 69 6.478 12.944 -7.476 1.00 26.76 C +ATOM 592 CD2 TRP A 69 6.727 11.978 -6.467 1.00 26.95 C +ATOM 593 CE3 TRP A 69 8.032 11.845 -5.968 1.00 44.22 C +ATOM 594 CZ3 TRP A 69 9.048 12.671 -6.502 1.00 53.68 C +ATOM 595 CH2 TRP A 69 8.757 13.612 -7.515 1.00 49.15 C +ATOM 596 CZ2 TRP A 69 7.483 13.763 -8.004 1.00 36.39 C +ATOM 597 C TRP A 69 4.861 8.380 -6.792 1.00 10.65 C +ATOM 598 O TRP A 69 4.351 8.616 -7.887 1.00 7.41 O +ATOM 599 N TYR A 70 5.898 7.555 -6.640 1.00 9.26 N +ATOM 600 CA TYR A 70 6.473 6.855 -7.785 1.00 10.38 C +ATOM 601 CB TYR A 70 7.855 6.275 -7.439 1.00 11.80 C +ATOM 602 CG TYR A 70 8.629 5.780 -8.636 1.00 14.20 C +ATOM 603 CD1 TYR A 70 9.215 6.663 -9.539 1.00 18.79 C +ATOM 604 CE1 TYR A 70 9.911 6.200 -10.660 1.00 19.00 C +ATOM 605 CZ TYR A 70 9.995 4.832 -10.890 1.00 21.71 C +ATOM 606 OH TYR A 70 10.688 4.307 -11.969 1.00 30.85 O +ATOM 607 CE2 TYR A 70 9.401 3.948 -10.015 1.00 22.83 C +ATOM 608 CD2 TYR A 70 8.731 4.425 -8.894 1.00 19.10 C +ATOM 609 C TYR A 70 5.581 5.747 -8.369 1.00 8.62 C +ATOM 610 O TYR A 70 5.333 5.707 -9.567 1.00 8.15 O +ATOM 611 N LEU A 71 5.130 4.819 -7.529 1.00 8.22 N +ATOM 612 CA LEU A 71 4.427 3.664 -8.031 1.00 8.75 C +ATOM 613 CB LEU A 71 4.519 2.497 -7.073 1.00 10.19 C +ATOM 614 CG LEU A 71 5.892 1.943 -6.730 1.00 10.00 C +ATOM 615 CD1 LEU A 71 5.723 0.836 -5.745 1.00 10.46 C +ATOM 616 CD2 LEU A 71 6.572 1.371 -7.958 1.00 13.03 C +ATOM 617 C LEU A 71 2.975 4.022 -8.242 1.00 9.72 C +ATOM 618 O LEU A 71 2.424 3.776 -9.320 1.00 10.90 O +ATOM 619 N GLY A 72 2.373 4.629 -7.211 1.00 10.28 N +ATOM 620 CA GLY A 72 1.069 5.279 -7.319 1.00 10.65 C +ATOM 621 C GLY A 72 0.968 6.082 -8.591 1.00 9.77 C +ATOM 622 O GLY A 72 0.097 5.859 -9.364 1.00 10.46 O +ATOM 623 N GLY A 73 1.899 7.007 -8.815 1.00 10.80 N +ATOM 624 CA GLY A 73 1.838 7.916 -9.956 1.00 9.84 C +ATOM 625 C GLY A 73 1.960 7.210 -11.308 1.00 9.93 C +ATOM 626 O GLY A 73 1.306 7.569 -12.302 1.00 9.02 O +ATOM 627 N ALA A 74 2.803 6.180 -11.353 1.00 10.45 N +ATOM 628 CA ALA A 74 2.927 5.352 -12.548 1.00 10.89 C +ATOM 629 CB ALA A 74 4.036 4.315 -12.354 1.00 10.75 C +ATOM 630 C ALA A 74 1.566 4.665 -12.842 1.00 8.90 C +ATOM 631 O ALA A 74 1.028 4.766 -13.923 1.00 9.49 O +ATOM 632 N VAL A 75 0.999 4.007 -11.835 1.00 8.02 N +ATOM 633 CA VAL A 75 -0.257 3.331 -12.027 1.00 9.54 C +ATOM 634 CB VAL A 75 -0.731 2.615 -10.760 1.00 8.90 C +ATOM 635 CG1 VAL A 75 -2.154 2.091 -10.937 1.00 10.78 C +ATOM 636 CG2 VAL A 75 0.208 1.468 -10.459 1.00 8.31 C +ATOM 637 C VAL A 75 -1.330 4.262 -12.587 1.00 8.80 C +ATOM 638 O VAL A 75 -1.959 3.937 -13.556 1.00 10.62 O +ATOM 639 N GLU A 76 -1.542 5.405 -11.952 1.00 9.32 N +ATOM 640 CA GLU A 76 -2.534 6.385 -12.402 1.00 11.38 C +ATOM 641 CB GLU A 76 -2.570 7.617 -11.488 1.00 13.00 C +ATOM 642 CG GLU A 76 -3.625 8.684 -11.800 1.00 11.01 C +ATOM 643 CD GLU A 76 -3.959 9.500 -10.562 1.00 12.62 C +ATOM 644 OE1 GLU A 76 -3.100 9.679 -9.654 1.00 12.49 O +ATOM 645 OE2 GLU A 76 -5.106 9.971 -10.473 1.00 16.29 O +ATOM 646 C GLU A 76 -2.279 6.826 -13.813 1.00 13.17 C +ATOM 647 O GLU A 76 -3.212 6.875 -14.620 1.00 14.71 O +ATOM 648 N LYS A 77 -1.023 7.149 -14.125 1.00 13.53 N +ATOM 649 CA LYS A 77 -0.691 7.631 -15.450 1.00 16.95 C +ATOM 650 CB LYS A 77 0.772 8.113 -15.524 1.00 24.89 C +ATOM 651 CG LYS A 77 1.123 9.035 -16.697 1.00 29.96 C +ATOM 652 CD LYS A 77 0.318 10.360 -16.756 1.00 48.81 C +ATOM 653 CE LYS A 77 0.264 11.189 -15.448 1.00 51.17 C +ATOM 654 NZ LYS A 77 -1.040 11.158 -14.674 1.00 41.66 N +ATOM 655 C LYS A 77 -0.950 6.572 -16.521 1.00 13.69 C +ATOM 656 O LYS A 77 -1.494 6.879 -17.552 1.00 11.09 O +ATOM 657 N ARG A 78 -0.548 5.324 -16.285 1.00 13.15 N +ATOM 658 CA ARG A 78 -0.612 4.350 -17.369 1.00 17.21 C +ATOM 659 CB ARG A 78 0.569 3.378 -17.365 1.00 26.03 C +ATOM 660 CG ARG A 78 1.913 3.942 -16.907 1.00 42.52 C +ATOM 661 CD ARG A 78 2.808 4.626 -17.945 1.00 53.37 C +ATOM 662 NE ARG A 78 3.687 5.628 -17.278 1.00 85.31 N +ATOM 663 CZ ARG A 78 4.726 5.370 -16.459 1.00 75.86 C +ATOM 664 NH1 ARG A 78 5.102 4.121 -16.173 1.00 81.51 N +ATOM 665 NH2 ARG A 78 5.405 6.379 -15.905 1.00 57.06 N +ATOM 666 C ARG A 78 -1.944 3.593 -17.429 1.00 12.62 C +ATOM 667 O ARG A 78 -2.380 3.237 -18.512 1.00 12.21 O +ATOM 668 N LEU A 79 -2.565 3.356 -16.265 1.00 10.41 N +ATOM 669 CA LEU A 79 -3.772 2.528 -16.104 1.00 8.22 C +ATOM 670 CB LEU A 79 -3.520 1.406 -15.068 1.00 8.17 C +ATOM 671 CG LEU A 79 -2.238 0.614 -15.313 1.00 8.98 C +ATOM 672 CD1 LEU A 79 -1.982 -0.564 -14.362 1.00 8.36 C +ATOM 673 CD2 LEU A 79 -2.283 0.107 -16.752 1.00 9.32 C +ATOM 674 C LEU A 79 -5.005 3.327 -15.682 1.00 6.91 C +ATOM 675 O LEU A 79 -6.127 2.831 -15.754 1.00 8.56 O +ATOM 676 N GLY A 80 -4.815 4.560 -15.219 1.00 5.95 N +ATOM 677 CA GLY A 80 -5.916 5.393 -14.797 1.00 5.85 C +ATOM 678 C GLY A 80 -6.069 5.570 -13.281 1.00 6.74 C +ATOM 679 O GLY A 80 -5.678 4.723 -12.481 1.00 6.31 O +ATOM 680 N SER A 81 -6.731 6.676 -12.933 1.00 6.52 N +ATOM 681 CA SER A 81 -7.166 7.017 -11.624 1.00 7.29 C +ATOM 682 CB SER A 81 -7.983 8.309 -11.714 1.00 6.49 C +ATOM 683 OG SER A 81 -7.108 9.389 -11.940 1.00 7.34 O +ATOM 684 C SER A 81 -7.967 5.938 -10.917 1.00 7.07 C +ATOM 685 O SER A 81 -7.704 5.631 -9.706 1.00 7.73 O +ATOM 686 N GLY A 82 -8.916 5.346 -11.644 1.00 6.35 N +ATOM 687 CA GLY A 82 -9.774 4.307 -11.103 1.00 6.26 C +ATOM 688 C GLY A 82 -9.017 3.094 -10.559 1.00 6.75 C +ATOM 689 O GLY A 82 -9.344 2.541 -9.500 1.00 7.96 O +ATOM 690 N LYS A 83 -8.012 2.659 -11.315 1.00 6.78 N +ATOM 691 CA LYS A 83 -7.228 1.523 -10.985 1.00 7.45 C +ATOM 692 CB LYS A 83 -6.236 1.280 -12.121 1.00 10.15 C +ATOM 693 CG LYS A 83 -5.312 0.087 -11.864 1.00 13.46 C +ATOM 694 CD LYS A 83 -6.051 -1.227 -11.772 1.00 15.35 C +ATOM 695 CE LYS A 83 -6.484 -1.684 -13.161 1.00 13.83 C +ATOM 696 NZ LYS A 83 -7.079 -3.019 -12.976 1.00 17.70 N +ATOM 697 C LYS A 83 -6.484 1.815 -9.666 1.00 7.49 C +ATOM 698 O LYS A 83 -6.444 0.988 -8.771 1.00 6.49 O +ATOM 699 N LEU A 84 -5.920 3.022 -9.546 1.00 7.56 N +ATOM 700 CA LEU A 84 -5.195 3.407 -8.334 1.00 8.80 C +ATOM 701 CB LEU A 84 -4.518 4.767 -8.469 1.00 8.75 C +ATOM 702 CG LEU A 84 -3.633 5.178 -7.271 1.00 9.25 C +ATOM 703 CD1 LEU A 84 -2.666 4.084 -6.881 1.00 11.42 C +ATOM 704 CD2 LEU A 84 -2.867 6.467 -7.571 1.00 8.81 C +ATOM 705 C LEU A 84 -6.144 3.441 -7.155 1.00 9.07 C +ATOM 706 O LEU A 84 -5.798 2.966 -6.092 1.00 7.30 O +ATOM 707 N ILE A 85 -7.346 4.006 -7.369 1.00 8.25 N +ATOM 708 CA ILE A 85 -8.386 3.994 -6.336 1.00 8.61 C +ATOM 709 CB ILE A 85 -9.664 4.685 -6.826 1.00 9.61 C +ATOM 710 CG1 ILE A 85 -9.420 6.201 -6.885 1.00 10.88 C +ATOM 711 CD1 ILE A 85 -10.451 6.950 -7.716 1.00 13.48 C +ATOM 712 CG2 ILE A 85 -10.873 4.386 -5.911 1.00 9.42 C +ATOM 713 C ILE A 85 -8.700 2.604 -5.766 1.00 7.41 C +ATOM 714 O ILE A 85 -8.708 2.427 -4.542 1.00 8.94 O +ATOM 715 N VAL A 86 -8.944 1.625 -6.642 1.00 6.37 N +ATOM 716 CA VAL A 86 -9.350 0.301 -6.188 1.00 6.19 C +ATOM 717 CB VAL A 86 -9.877 -0.556 -7.378 1.00 5.97 C +ATOM 718 CG1 VAL A 86 -10.573 -1.827 -6.883 1.00 5.42 C +ATOM 719 CG2 VAL A 86 -10.771 0.272 -8.291 1.00 5.92 C +ATOM 720 C VAL A 86 -8.211 -0.453 -5.526 1.00 7.25 C +ATOM 721 O VAL A 86 -8.402 -1.062 -4.491 1.00 7.60 O +ATOM 722 N ILE A 87 -7.013 -0.407 -6.121 1.00 8.21 N +ATOM 723 CA ILE A 87 -5.834 -0.934 -5.428 1.00 9.69 C +ATOM 724 CB ILE A 87 -4.572 -0.636 -6.197 1.00 10.87 C +ATOM 725 CG1 ILE A 87 -4.566 -1.446 -7.467 1.00 10.95 C +ATOM 726 CD1 ILE A 87 -3.393 -1.087 -8.373 1.00 11.24 C +ATOM 727 CG2 ILE A 87 -3.337 -0.963 -5.349 1.00 14.74 C +ATOM 728 C ILE A 87 -5.713 -0.384 -4.003 1.00 8.23 C +ATOM 729 O ILE A 87 -5.573 -1.103 -3.012 1.00 8.72 O +ATOM 730 N THR A 88 -5.846 0.924 -3.904 1.00 10.12 N +ATOM 731 CA THR A 88 -5.744 1.616 -2.627 1.00 9.66 C +ATOM 732 CB THR A 88 -5.782 3.135 -2.820 1.00 8.86 C +ATOM 733 OG1 THR A 88 -4.713 3.534 -3.666 1.00 8.21 O +ATOM 734 CG2 THR A 88 -5.661 3.870 -1.458 1.00 9.41 C +ATOM 735 C THR A 88 -6.850 1.185 -1.663 1.00 10.56 C +ATOM 736 O THR A 88 -6.545 0.917 -0.528 1.00 9.67 O +ATOM 737 N LEU A 89 -8.125 1.154 -2.113 1.00 9.79 N +ATOM 738 CA LEU A 89 -9.231 0.758 -1.219 1.00 9.43 C +ATOM 739 CB LEU A 89 -10.611 0.882 -1.868 1.00 10.49 C +ATOM 740 CG LEU A 89 -11.021 2.316 -2.222 1.00 13.29 C +ATOM 741 CD1 LEU A 89 -12.374 2.304 -2.905 1.00 12.80 C +ATOM 742 CD2 LEU A 89 -11.036 3.253 -1.008 1.00 15.37 C +ATOM 743 C LEU A 89 -9.087 -0.650 -0.696 1.00 10.23 C +ATOM 744 O LEU A 89 -9.369 -0.920 0.481 1.00 16.46 O +ATOM 745 N ILE A 90 -8.712 -1.568 -1.591 1.00 9.43 N +ATOM 746 CA ILE A 90 -8.711 -2.980 -1.307 1.00 10.41 C +ATOM 747 CB ILE A 90 -8.637 -3.829 -2.621 1.00 10.97 C +ATOM 748 CG1 ILE A 90 -9.932 -3.722 -3.437 1.00 10.17 C +ATOM 749 CD1 ILE A 90 -9.913 -4.522 -4.756 1.00 11.35 C +ATOM 750 CG2 ILE A 90 -8.453 -5.299 -2.254 1.00 13.93 C +ATOM 751 C ILE A 90 -7.506 -3.245 -0.406 1.00 10.30 C +ATOM 752 O ILE A 90 -7.598 -3.961 0.567 1.00 11.27 O +ATOM 753 N SER A 91 -6.362 -2.693 -0.775 1.00 9.52 N +ATOM 754 CA SER A 91 -5.165 -2.884 0.046 1.00 14.52 C +ATOM 755 CB SER A 91 -3.895 -2.372 -0.636 1.00 13.25 C +ATOM 756 OG SER A 91 -3.915 -0.995 -0.810 1.00 12.23 O +ATOM 757 C SER A 91 -5.336 -2.289 1.477 1.00 10.37 C +ATOM 758 O SER A 91 -4.976 -2.943 2.453 1.00 9.69 O +ATOM 759 N ALA A 92 -5.922 -1.094 1.572 1.00 9.09 N +ATOM 760 CA ALA A 92 -6.158 -0.463 2.875 1.00 9.92 C +ATOM 761 CB ALA A 92 -6.701 0.950 2.754 1.00 9.81 C +ATOM 762 C ALA A 92 -7.060 -1.288 3.740 1.00 9.21 C +ATOM 763 O ALA A 92 -6.823 -1.455 4.911 1.00 11.95 O +ATOM 764 N LEU A 93 -8.139 -1.804 3.157 1.00 12.58 N +ATOM 765 CA LEU A 93 -9.130 -2.540 3.916 1.00 11.15 C +ATOM 766 CB LEU A 93 -10.325 -2.762 3.021 1.00 13.97 C +ATOM 767 CG LEU A 93 -11.521 -3.362 3.641 1.00 15.28 C +ATOM 768 CD1 LEU A 93 -12.057 -2.526 4.795 1.00 14.89 C +ATOM 769 CD2 LEU A 93 -12.540 -3.524 2.505 1.00 18.93 C +ATOM 770 C LEU A 93 -8.587 -3.883 4.370 1.00 9.22 C +ATOM 771 O LEU A 93 -8.762 -4.275 5.538 1.00 9.53 O +ATOM 772 N LEU A 94 -7.966 -4.610 3.431 1.00 8.54 N +ATOM 773 CA LEU A 94 -7.517 -5.966 3.714 1.00 10.77 C +ATOM 774 CB LEU A 94 -7.195 -6.752 2.432 1.00 9.48 C +ATOM 775 CG LEU A 94 -8.393 -7.468 1.809 1.00 8.72 C +ATOM 776 CD1 LEU A 94 -9.393 -6.499 1.237 1.00 8.52 C +ATOM 777 CD2 LEU A 94 -7.954 -8.399 0.706 1.00 9.47 C +ATOM 778 C LEU A 94 -6.316 -5.928 4.667 1.00 10.87 C +ATOM 779 O LEU A 94 -6.235 -6.738 5.617 1.00 14.49 O +ATOM 780 N SER A 95 -5.415 -4.960 4.454 1.00 9.20 N +ATOM 781 CA SER A 95 -4.230 -4.880 5.286 1.00 9.77 C +ATOM 782 CB SER A 95 -3.213 -3.911 4.686 1.00 11.24 C +ATOM 783 OG SER A 95 -3.678 -2.577 4.728 1.00 10.77 O +ATOM 784 C SER A 95 -4.613 -4.532 6.698 1.00 10.28 C +ATOM 785 O SER A 95 -4.114 -5.116 7.657 1.00 11.54 O +ATOM 786 N GLY A 96 -5.590 -3.634 6.844 1.00 9.63 N +ATOM 787 CA GLY A 96 -6.087 -3.270 8.168 1.00 9.09 C +ATOM 788 C GLY A 96 -6.762 -4.436 8.867 1.00 10.87 C +ATOM 789 O GLY A 96 -6.613 -4.635 10.100 1.00 9.44 O +ATOM 790 N TYR A 97 -7.569 -5.191 8.106 1.00 10.40 N +ATOM 791 CA TYR A 97 -8.290 -6.287 8.694 1.00 10.22 C +ATOM 792 CB TYR A 97 -9.250 -6.949 7.687 1.00 9.26 C +ATOM 793 CG TYR A 97 -9.519 -8.374 7.968 1.00 11.80 C +ATOM 794 CD1 TYR A 97 -10.347 -8.775 8.992 1.00 13.53 C +ATOM 795 CE1 TYR A 97 -10.532 -10.110 9.272 1.00 15.13 C +ATOM 796 CZ TYR A 97 -9.902 -11.053 8.518 1.00 17.92 C +ATOM 797 OH TYR A 97 -10.075 -12.435 8.689 1.00 35.59 O +ATOM 798 CE2 TYR A 97 -9.093 -10.678 7.495 1.00 20.60 C +ATOM 799 CD2 TYR A 97 -8.884 -9.347 7.235 1.00 15.19 C +ATOM 800 C TYR A 97 -7.294 -7.303 9.260 1.00 10.61 C +ATOM 801 O TYR A 97 -7.494 -7.813 10.362 1.00 9.19 O +ATOM 802 N VAL A 98 -6.266 -7.642 8.465 1.00 10.24 N +ATOM 803 CA VAL A 98 -5.312 -8.664 8.858 1.00 11.42 C +ATOM 804 CB VAL A 98 -4.425 -9.049 7.669 1.00 13.55 C +ATOM 805 CG1 VAL A 98 -3.289 -9.957 8.138 1.00 13.24 C +ATOM 806 CG2 VAL A 98 -5.264 -9.766 6.594 1.00 13.47 C +ATOM 807 C VAL A 98 -4.441 -8.204 10.028 1.00 9.87 C +ATOM 808 O VAL A 98 -4.173 -8.969 10.946 1.00 8.32 O +ATOM 809 N GLN A 99 -3.981 -6.953 9.959 1.00 9.03 N +ATOM 810 CA GLN A 99 -3.238 -6.349 11.038 1.00 10.14 C +ATOM 811 CB GLN A 99 -2.867 -4.919 10.741 1.00 9.94 C +ATOM 812 CG GLN A 99 -1.925 -4.309 11.812 1.00 12.42 C +ATOM 813 CD GLN A 99 -0.648 -5.101 12.038 1.00 12.41 C +ATOM 814 OE1 GLN A 99 -0.090 -5.670 11.095 1.00 10.66 O +ATOM 815 NE2 GLN A 99 -0.218 -5.211 13.309 1.00 13.91 N +ATOM 816 C GLN A 99 -3.975 -6.405 12.343 1.00 10.64 C +ATOM 817 O GLN A 99 -3.384 -6.788 13.386 1.00 13.44 O +ATOM 818 N GLN A 100 -5.255 -6.016 12.332 1.00 11.43 N +ATOM 819 CA GLN A 100 -5.995 -5.975 13.596 1.00 10.79 C +ATOM 820 CB GLN A 100 -7.257 -5.133 13.563 1.00 15.29 C +ATOM 821 CG GLN A 100 -8.380 -5.569 12.629 1.00 15.18 C +ATOM 822 CD GLN A 100 -9.225 -6.715 13.139 1.00 20.02 C +ATOM 823 OE1 GLN A 100 -9.472 -6.808 14.363 1.00 17.98 O +ATOM 824 NE2 GLN A 100 -9.605 -7.683 12.195 1.00 13.46 N +ATOM 825 C GLN A 100 -6.266 -7.363 14.120 1.00 11.18 C +ATOM 826 O GLN A 100 -6.235 -7.573 15.322 1.00 10.28 O +ATOM 827 N LYS A 101 -6.472 -8.333 13.220 1.00 12.05 N +ATOM 828 CA LYS A 101 -6.681 -9.723 13.636 1.00 15.91 C +ATOM 829 CB LYS A 101 -6.895 -10.634 12.429 1.00 19.62 C +ATOM 830 CG LYS A 101 -7.287 -12.058 12.764 1.00 25.54 C +ATOM 831 CD LYS A 101 -8.474 -12.147 13.720 1.00 36.13 C +ATOM 832 CE LYS A 101 -9.673 -11.284 13.326 1.00 47.35 C +ATOM 833 NZ LYS A 101 -10.721 -11.377 14.389 1.00 53.61 N +ATOM 834 C LYS A 101 -5.500 -10.280 14.454 1.00 14.76 C +ATOM 835 O LYS A 101 -5.719 -10.974 15.393 1.00 12.05 O +ATOM 836 N PHE A 102 -4.264 -9.996 14.037 1.00 17.64 N +ATOM 837 CA PHE A 102 -3.069 -10.555 14.677 1.00 22.08 C +ATOM 838 CB PHE A 102 -1.839 -10.534 13.768 1.00 32.43 C +ATOM 839 CG PHE A 102 -1.901 -11.454 12.572 1.00 49.16 C +ATOM 840 CD1 PHE A 102 -2.862 -12.455 12.445 1.00 57.17 C +ATOM 841 CE1 PHE A 102 -2.866 -13.295 11.330 1.00 64.20 C +ATOM 842 CZ PHE A 102 -1.892 -13.156 10.344 1.00 70.11 C +ATOM 843 CE2 PHE A 102 -0.914 -12.178 10.463 1.00 66.22 C +ATOM 844 CD2 PHE A 102 -0.918 -11.337 11.570 1.00 70.03 C +ATOM 845 C PHE A 102 -2.668 -9.771 15.906 1.00 15.16 C +ATOM 846 O PHE A 102 -2.255 -10.357 16.860 1.00 18.94 O +ATOM 847 N SER A 103 -2.801 -8.443 15.854 1.00 13.90 N +ATOM 848 CA SER A 103 -2.190 -7.538 16.816 1.00 11.20 C +ATOM 849 CB SER A 103 -1.010 -6.901 16.091 1.00 11.98 C +ATOM 850 OG SER A 103 -0.155 -7.948 15.732 1.00 11.27 O +ATOM 851 C SER A 103 -3.041 -6.399 17.376 1.00 11.46 C +ATOM 852 O SER A 103 -2.533 -5.548 18.090 1.00 9.51 O +ATOM 853 N GLY A 104 -4.315 -6.325 16.976 1.00 10.24 N +ATOM 854 CA GLY A 104 -5.217 -5.309 17.481 1.00 9.26 C +ATOM 855 C GLY A 104 -5.236 -4.009 16.680 1.00 9.97 C +ATOM 856 O GLY A 104 -4.581 -3.850 15.652 1.00 7.26 O +ATOM 857 N PRO A 105 -6.068 -3.048 17.121 1.00 7.88 N +ATOM 858 CA PRO A 105 -6.440 -1.913 16.282 1.00 8.48 C +ATOM 859 CB PRO A 105 -7.760 -1.519 16.927 1.00 8.22 C +ATOM 860 CG PRO A 105 -7.526 -1.820 18.398 1.00 6.83 C +ATOM 861 CD PRO A 105 -6.796 -3.114 18.390 1.00 6.35 C +ATOM 862 C PRO A 105 -5.457 -0.681 16.228 1.00 10.05 C +ATOM 863 O PRO A 105 -5.726 0.307 15.537 1.00 10.01 O +ATOM 864 N TRP A 106 -4.367 -0.740 16.992 1.00 11.69 N +ATOM 865 CA TRP A 106 -3.498 0.422 17.226 1.00 11.54 C +ATOM 866 CB TRP A 106 -2.977 0.415 18.663 1.00 12.46 C +ATOM 867 CG TRP A 106 -4.087 0.430 19.601 1.00 12.18 C +ATOM 868 CD1 TRP A 106 -4.515 -0.604 20.362 1.00 10.82 C +ATOM 869 NE1 TRP A 106 -5.592 -0.214 21.128 1.00 11.60 N +ATOM 870 CE2 TRP A 106 -5.934 1.072 20.791 1.00 11.11 C +ATOM 871 CD2 TRP A 106 -4.992 1.513 19.833 1.00 13.14 C +ATOM 872 CE3 TRP A 106 -5.101 2.806 19.333 1.00 17.26 C +ATOM 873 CZ3 TRP A 106 -6.162 3.615 19.799 1.00 14.76 C +ATOM 874 CH2 TRP A 106 -7.062 3.140 20.765 1.00 11.76 C +ATOM 875 CZ2 TRP A 106 -6.967 1.876 21.254 1.00 10.23 C +ATOM 876 C TRP A 106 -2.361 0.393 16.263 1.00 10.94 C +ATOM 877 O TRP A 106 -1.195 0.124 16.642 1.00 10.11 O +ATOM 878 N PHE A 107 -2.709 0.640 14.997 1.00 11.04 N +ATOM 879 CA PHE A 107 -1.764 0.669 13.907 1.00 10.70 C +ATOM 880 CB PHE A 107 -1.780 -0.683 13.192 1.00 13.62 C +ATOM 881 CG PHE A 107 -3.055 -0.981 12.478 1.00 12.43 C +ATOM 882 CD1 PHE A 107 -4.101 -1.552 13.148 1.00 14.88 C +ATOM 883 CE1 PHE A 107 -5.286 -1.837 12.510 1.00 15.39 C +ATOM 884 CZ PHE A 107 -5.435 -1.512 11.190 1.00 15.58 C +ATOM 885 CE2 PHE A 107 -4.388 -0.947 10.489 1.00 12.75 C +ATOM 886 CD2 PHE A 107 -3.202 -0.668 11.145 1.00 14.16 C +ATOM 887 C PHE A 107 -2.133 1.791 12.969 1.00 12.33 C +ATOM 888 O PHE A 107 -3.244 2.341 13.025 1.00 12.46 O +ATOM 889 N GLY A 108 -1.192 2.152 12.097 1.00 9.93 N +ATOM 890 CA GLY A 108 -1.459 3.141 11.089 1.00 8.76 C +ATOM 891 C GLY A 108 -0.352 3.178 10.084 1.00 9.73 C +ATOM 892 O GLY A 108 0.717 2.636 10.301 1.00 9.84 O +ATOM 893 N GLY A 109 -0.607 3.856 8.974 1.00 10.32 N +ATOM 894 CA GLY A 109 0.409 4.042 7.971 1.00 10.57 C +ATOM 895 C GLY A 109 0.014 3.548 6.596 1.00 11.70 C +ATOM 896 O GLY A 109 -0.753 2.586 6.452 1.00 11.87 O +ATOM 897 N LEU A 110 0.604 4.186 5.588 1.00 11.04 N +ATOM 898 CA LEU A 110 0.424 3.859 4.190 1.00 14.57 C +ATOM 899 CB LEU A 110 0.718 5.128 3.351 1.00 11.87 C +ATOM 900 CG LEU A 110 0.154 5.105 1.933 1.00 12.86 C +ATOM 901 CD1 LEU A 110 -1.387 5.048 1.998 1.00 12.16 C +ATOM 902 CD2 LEU A 110 0.647 6.371 1.227 1.00 12.82 C +ATOM 903 C LEU A 110 1.186 2.611 3.628 1.00 11.01 C +ATOM 904 O LEU A 110 0.993 2.204 2.505 1.00 14.43 O +ATOM 905 N SER A 111 2.024 1.979 4.429 1.00 13.29 N +ATOM 906 CA SER A 111 2.845 0.888 3.946 1.00 10.12 C +ATOM 907 CB SER A 111 3.898 0.485 4.992 1.00 10.55 C +ATOM 908 OG SER A 111 3.320 -0.053 6.194 1.00 11.02 O +ATOM 909 C SER A 111 2.089 -0.351 3.481 1.00 12.43 C +ATOM 910 O SER A 111 2.634 -1.120 2.676 1.00 13.91 O +ATOM 911 N GLY A 112 0.858 -0.562 3.971 1.00 12.21 N +ATOM 912 CA GLY A 112 0.035 -1.663 3.484 1.00 12.07 C +ATOM 913 C GLY A 112 -0.209 -1.434 2.009 1.00 11.14 C +ATOM 914 O GLY A 112 -0.034 -2.335 1.146 1.00 9.44 O +ATOM 915 N VAL A 113 -0.603 -0.192 1.714 1.00 10.51 N +ATOM 916 CA VAL A 113 -0.867 0.283 0.356 1.00 10.87 C +ATOM 917 CB VAL A 113 -1.508 1.687 0.352 1.00 8.83 C +ATOM 918 CG1 VAL A 113 -1.660 2.166 -1.059 1.00 13.82 C +ATOM 919 CG2 VAL A 113 -2.865 1.687 1.021 1.00 9.67 C +ATOM 920 C VAL A 113 0.414 0.290 -0.469 1.00 9.75 C +ATOM 921 O VAL A 113 0.432 -0.103 -1.577 1.00 10.43 O +ATOM 922 N VAL A 114 1.508 0.767 0.113 1.00 10.82 N +ATOM 923 CA VAL A 114 2.762 0.775 -0.584 1.00 10.51 C +ATOM 924 CB VAL A 114 3.842 1.485 0.225 1.00 9.83 C +ATOM 925 CG1 VAL A 114 5.199 1.247 -0.375 1.00 8.18 C +ATOM 926 CG2 VAL A 114 3.541 2.962 0.244 1.00 11.97 C +ATOM 927 C VAL A 114 3.197 -0.628 -0.973 1.00 10.52 C +ATOM 928 O VAL A 114 3.678 -0.814 -2.114 1.00 8.61 O +ATOM 929 N TYR A 115 3.043 -1.596 -0.049 1.00 11.27 N +ATOM 930 CA TYR A 115 3.414 -2.996 -0.328 1.00 12.70 C +ATOM 931 CB TYR A 115 3.320 -3.943 0.896 1.00 13.31 C +ATOM 932 CG TYR A 115 4.556 -3.954 1.826 1.00 16.02 C +ATOM 933 CD1 TYR A 115 5.159 -2.779 2.226 1.00 14.22 C +ATOM 934 CE1 TYR A 115 6.236 -2.770 3.059 1.00 13.42 C +ATOM 935 CZ TYR A 115 6.735 -3.950 3.563 1.00 17.17 C +ATOM 936 OH TYR A 115 7.822 -3.893 4.430 1.00 14.11 O +ATOM 937 CE2 TYR A 115 6.156 -5.157 3.195 1.00 15.96 C +ATOM 938 CD2 TYR A 115 5.076 -5.152 2.331 1.00 18.31 C +ATOM 939 C TYR A 115 2.578 -3.556 -1.496 1.00 13.25 C +ATOM 940 O TYR A 115 3.112 -4.264 -2.333 1.00 12.92 O +ATOM 941 N ALA A 116 1.272 -3.244 -1.524 1.00 11.18 N +ATOM 942 CA ALA A 116 0.378 -3.644 -2.626 1.00 10.79 C +ATOM 943 CB ALA A 116 -1.030 -3.160 -2.328 1.00 11.53 C +ATOM 944 C ALA A 116 0.883 -3.072 -3.969 1.00 12.39 C +ATOM 945 O ALA A 116 0.976 -3.781 -4.968 1.00 9.32 O +ATOM 946 N LEU A 117 1.307 -1.803 -3.960 1.00 11.10 N +ATOM 947 CA LEU A 117 1.793 -1.174 -5.192 1.00 12.43 C +ATOM 948 CB LEU A 117 2.021 0.336 -4.980 1.00 9.99 C +ATOM 949 CG LEU A 117 0.732 1.105 -4.829 1.00 12.19 C +ATOM 950 CD1 LEU A 117 1.067 2.545 -4.468 1.00 14.38 C +ATOM 951 CD2 LEU A 117 -0.071 1.040 -6.123 1.00 10.14 C +ATOM 952 C LEU A 117 3.062 -1.832 -5.692 1.00 10.88 C +ATOM 953 O LEU A 117 3.231 -2.090 -6.909 1.00 11.53 O +ATOM 954 N MET A 118 3.969 -2.096 -4.748 1.00 10.42 N +ATOM 955 CA MET A 118 5.201 -2.771 -5.073 1.00 10.48 C +ATOM 956 CB MET A 118 6.032 -2.963 -3.833 1.00 13.13 C +ATOM 957 CG MET A 118 6.762 -1.697 -3.397 1.00 14.60 C +ATOM 958 SD MET A 118 7.500 -2.061 -1.777 1.00 14.44 S +ATOM 959 CE MET A 118 8.512 -0.606 -1.567 1.00 20.16 C +ATOM 960 C MET A 118 4.967 -4.096 -5.740 1.00 9.46 C +ATOM 961 O MET A 118 5.547 -4.372 -6.811 1.00 8.61 O +ATOM 962 N GLY A 119 4.128 -4.921 -5.109 1.00 7.77 N +ATOM 963 CA GLY A 119 3.780 -6.215 -5.668 1.00 11.08 C +ATOM 964 C GLY A 119 3.013 -6.118 -7.011 1.00 11.34 C +ATOM 965 O GLY A 119 3.228 -6.907 -7.928 1.00 8.29 O +ATOM 966 N TYR A 120 2.094 -5.146 -7.090 1.00 11.77 N +ATOM 967 CA TYR A 120 1.310 -4.902 -8.270 1.00 10.79 C +ATOM 968 CB TYR A 120 0.268 -3.789 -8.056 1.00 9.35 C +ATOM 969 CG TYR A 120 -0.656 -3.729 -9.246 1.00 8.93 C +ATOM 970 CD1 TYR A 120 -1.761 -4.582 -9.374 1.00 8.49 C +ATOM 971 CE1 TYR A 120 -2.583 -4.520 -10.496 1.00 7.07 C +ATOM 972 CZ TYR A 120 -2.276 -3.617 -11.508 1.00 7.22 C +ATOM 973 OH TYR A 120 -2.971 -3.472 -12.648 1.00 5.80 O +ATOM 974 CE2 TYR A 120 -1.183 -2.785 -11.390 1.00 8.41 C +ATOM 975 CD2 TYR A 120 -0.395 -2.853 -10.276 1.00 8.76 C +ATOM 976 C TYR A 120 2.201 -4.575 -9.482 1.00 11.63 C +ATOM 977 O TYR A 120 2.107 -5.247 -10.564 1.00 7.78 O +ATOM 978 N VAL A 121 3.017 -3.519 -9.321 1.00 12.00 N +ATOM 979 CA VAL A 121 3.800 -2.988 -10.441 1.00 9.62 C +ATOM 980 CB VAL A 121 4.453 -1.625 -10.146 1.00 9.65 C +ATOM 981 CG1 VAL A 121 5.414 -1.209 -11.276 1.00 9.29 C +ATOM 982 CG2 VAL A 121 3.388 -0.562 -9.926 1.00 10.90 C +ATOM 983 C VAL A 121 4.821 -4.036 -10.855 1.00 10.36 C +ATOM 984 O VAL A 121 4.985 -4.342 -12.051 1.00 9.00 O +ATOM 985 N TRP A 122 5.474 -4.644 -9.863 1.00 10.35 N +ATOM 986 CA TRP A 122 6.471 -5.652 -10.166 1.00 10.59 C +ATOM 987 CB TRP A 122 7.098 -6.217 -8.883 1.00 11.33 C +ATOM 988 CG TRP A 122 8.104 -7.242 -9.233 1.00 11.45 C +ATOM 989 CD1 TRP A 122 9.278 -7.032 -9.857 1.00 12.33 C +ATOM 990 NE1 TRP A 122 9.919 -8.220 -10.058 1.00 12.12 N +ATOM 991 CE2 TRP A 122 9.141 -9.230 -9.567 1.00 12.27 C +ATOM 992 CD2 TRP A 122 7.981 -8.647 -9.059 1.00 13.87 C +ATOM 993 CE3 TRP A 122 7.004 -9.467 -8.500 1.00 17.98 C +ATOM 994 CZ3 TRP A 122 7.228 -10.841 -8.476 1.00 18.17 C +ATOM 995 CH2 TRP A 122 8.392 -11.399 -9.011 1.00 14.65 C +ATOM 996 CZ2 TRP A 122 9.360 -10.612 -9.550 1.00 14.95 C +ATOM 997 C TRP A 122 5.866 -6.834 -10.982 1.00 10.52 C +ATOM 998 O TRP A 122 6.376 -7.200 -12.039 1.00 6.62 O +ATOM 999 N LEU A 123 4.798 -7.431 -10.436 1.00 9.99 N +ATOM 1000 CA LEU A 123 4.236 -8.639 -10.992 1.00 12.53 C +ATOM 1001 CB LEU A 123 3.242 -9.306 -10.025 1.00 12.84 C +ATOM 1002 CG LEU A 123 2.717 -10.640 -10.622 1.00 16.41 C +ATOM 1003 CD1 LEU A 123 3.851 -11.614 -10.939 1.00 17.09 C +ATOM 1004 CD2 LEU A 123 1.678 -11.292 -9.719 1.00 18.37 C +ATOM 1005 C LEU A 123 3.578 -8.340 -12.350 1.00 12.42 C +ATOM 1006 O LEU A 123 3.724 -9.102 -13.289 1.00 9.14 O +ATOM 1007 N ARG A 124 2.880 -7.201 -12.438 1.00 12.68 N +ATOM 1008 CA ARG A 124 2.221 -6.812 -13.684 1.00 13.93 C +ATOM 1009 CB ARG A 124 1.417 -5.541 -13.460 1.00 14.88 C +ATOM 1010 CG ARG A 124 0.528 -5.098 -14.593 1.00 18.68 C +ATOM 1011 CD ARG A 124 -0.784 -5.868 -14.693 1.00 18.98 C +ATOM 1012 NE ARG A 124 -1.470 -5.582 -15.960 1.00 18.18 N +ATOM 1013 CZ ARG A 124 -2.321 -4.576 -16.184 1.00 17.39 C +ATOM 1014 NH1 ARG A 124 -2.663 -3.708 -15.249 1.00 15.90 N +ATOM 1015 NH2 ARG A 124 -2.867 -4.452 -17.369 1.00 19.04 N +ATOM 1016 C ARG A 124 3.280 -6.664 -14.777 1.00 11.93 C +ATOM 1017 O ARG A 124 3.098 -7.141 -15.879 1.00 11.11 O +ATOM 1018 N GLY A 125 4.393 -6.009 -14.432 1.00 11.83 N +ATOM 1019 CA GLY A 125 5.570 -5.927 -15.273 1.00 13.33 C +ATOM 1020 C GLY A 125 6.050 -7.286 -15.737 1.00 12.39 C +ATOM 1021 O GLY A 125 6.206 -7.513 -16.921 1.00 14.55 O +ATOM 1022 N GLU A 126 6.255 -8.206 -14.797 1.00 15.51 N +ATOM 1023 CA GLU A 126 6.746 -9.536 -15.137 1.00 19.50 C +ATOM 1024 CB GLU A 126 7.039 -10.355 -13.869 1.00 21.28 C +ATOM 1025 CG GLU A 126 8.192 -9.810 -13.037 1.00 25.78 C +ATOM 1026 CD GLU A 126 9.507 -9.667 -13.814 1.00 27.78 C +ATOM 1027 OE1 GLU A 126 10.253 -10.654 -13.907 1.00 26.10 O +ATOM 1028 OE2 GLU A 126 9.809 -8.552 -14.316 1.00 34.29 O +ATOM 1029 C GLU A 126 5.807 -10.314 -16.067 1.00 22.38 C +ATOM 1030 O GLU A 126 6.267 -10.978 -16.989 1.00 19.45 O +ATOM 1031 N ARG A 127 4.493 -10.236 -15.816 1.00 24.01 N +ATOM 1032 CA ARG A 127 3.518 -11.098 -16.495 1.00 25.28 C +ATOM 1033 CB ARG A 127 2.382 -11.466 -15.540 1.00 25.96 C +ATOM 1034 CG ARG A 127 2.787 -12.411 -14.416 1.00 30.58 C +ATOM 1035 CD ARG A 127 1.581 -13.121 -13.799 1.00 33.46 C +ATOM 1036 NE ARG A 127 1.003 -14.101 -14.719 1.00 30.34 N +ATOM 1037 CZ ARG A 127 -0.292 -14.237 -15.015 1.00 37.18 C +ATOM 1038 NH1 ARG A 127 -1.225 -13.501 -14.432 1.00 48.05 N +ATOM 1039 NH2 ARG A 127 -0.666 -15.148 -15.897 1.00 35.07 N +ATOM 1040 C ARG A 127 2.929 -10.485 -17.761 1.00 25.09 C +ATOM 1041 O ARG A 127 2.431 -11.182 -18.611 1.00 38.00 O +ATOM 1042 N ASP A 128 2.991 -9.161 -17.870 1.00 30.78 N +ATOM 1043 CA ASP A 128 2.188 -8.414 -18.819 1.00 27.85 C +ATOM 1044 CB ASP A 128 0.866 -8.053 -18.129 1.00 37.74 C +ATOM 1045 CG ASP A 128 -0.161 -7.438 -19.057 1.00 32.34 C +ATOM 1046 OD1 ASP A 128 -0.006 -7.503 -20.296 1.00 34.10 O +ATOM 1047 OD2 ASP A 128 -1.147 -6.893 -18.503 1.00 23.64 O +ATOM 1048 C ASP A 128 3.015 -7.181 -19.165 1.00 29.31 C +ATOM 1049 O ASP A 128 2.616 -6.051 -18.889 1.00 21.22 O +ATOM 1050 N PRO A 129 4.226 -7.395 -19.731 1.00 31.44 N +ATOM 1051 CA PRO A 129 5.109 -6.314 -20.169 1.00 33.06 C +ATOM 1052 CB PRO A 129 5.948 -7.003 -21.263 1.00 39.26 C +ATOM 1053 CG PRO A 129 5.945 -8.464 -20.915 1.00 36.32 C +ATOM 1054 CD PRO A 129 4.830 -8.724 -19.941 1.00 33.88 C +ATOM 1055 C PRO A 129 4.489 -5.026 -20.743 1.00 26.37 C +ATOM 1056 O PRO A 129 4.764 -3.952 -20.239 1.00 36.71 O +ATOM 1057 N GLN A 130 3.697 -5.132 -21.807 1.00 29.64 N +ATOM 1058 CA GLN A 130 3.330 -3.943 -22.569 1.00 39.65 C +ATOM 1059 CB GLN A 130 3.517 -4.154 -24.087 1.00 44.02 C +ATOM 1060 CG GLN A 130 4.795 -4.886 -24.528 1.00 46.53 C +ATOM 1061 CD GLN A 130 6.113 -4.367 -23.934 1.00 48.57 C +ATOM 1062 OE1 GLN A 130 6.153 -3.534 -23.020 1.00 39.00 O +ATOM 1063 NE2 GLN A 130 7.210 -4.888 -24.463 1.00 49.29 N +ATOM 1064 C GLN A 130 1.940 -3.380 -22.244 1.00 40.56 C +ATOM 1065 O GLN A 130 1.258 -2.836 -23.110 1.00 43.17 O +ATOM 1066 N SER A 131 1.541 -3.499 -20.974 1.00 36.80 N +ATOM 1067 CA SER A 131 0.605 -2.561 -20.361 1.00 34.27 C +ATOM 1068 CB SER A 131 -0.082 -3.172 -19.139 1.00 42.18 C +ATOM 1069 OG SER A 131 0.777 -4.049 -18.428 1.00 46.33 O +ATOM 1070 C SER A 131 1.388 -1.294 -19.981 1.00 33.35 C +ATOM 1071 O SER A 131 0.791 -0.296 -19.554 1.00 24.86 O +ATOM 1072 N GLY A 132 2.724 -1.359 -20.153 1.00 25.71 N +ATOM 1073 CA GLY A 132 3.627 -0.240 -20.001 1.00 23.70 C +ATOM 1074 C GLY A 132 3.926 0.067 -18.541 1.00 30.35 C +ATOM 1075 O GLY A 132 4.341 1.179 -18.207 1.00 28.25 O +ATOM 1076 N ILE A 133 3.704 -0.916 -17.663 1.00 25.82 N +ATOM 1077 CA ILE A 133 3.998 -0.763 -16.254 1.00 31.87 C +ATOM 1078 CB ILE A 133 2.686 -0.724 -15.403 1.00 36.08 C +ATOM 1079 CG1 ILE A 133 2.872 0.176 -14.185 1.00 45.14 C +ATOM 1080 CD1 ILE A 133 2.061 -0.228 -12.962 1.00 52.13 C +ATOM 1081 CG2 ILE A 133 2.203 -2.122 -15.014 1.00 34.59 C +ATOM 1082 C ILE A 133 4.976 -1.885 -15.849 1.00 32.43 C +ATOM 1083 O ILE A 133 4.755 -3.067 -16.148 1.00 27.54 O +ATOM 1084 N TYR A 134 6.081 -1.500 -15.201 1.00 29.47 N +ATOM 1085 CA TYR A 134 7.049 -2.463 -14.656 1.00 28.04 C +ATOM 1086 CB TYR A 134 7.937 -3.039 -15.770 1.00 25.02 C +ATOM 1087 CG TYR A 134 8.900 -2.022 -16.317 1.00 32.76 C +ATOM 1088 CD1 TYR A 134 8.461 -1.022 -17.198 1.00 39.16 C +ATOM 1089 CE1 TYR A 134 9.341 -0.073 -17.699 1.00 39.45 C +ATOM 1090 CZ TYR A 134 10.674 -0.114 -17.314 1.00 37.28 C +ATOM 1091 OH TYR A 134 11.542 0.820 -17.815 1.00 41.33 O +ATOM 1092 CE2 TYR A 134 11.135 -1.092 -16.446 1.00 34.47 C +ATOM 1093 CD2 TYR A 134 10.253 -2.039 -15.955 1.00 36.92 C +ATOM 1094 C TYR A 134 7.906 -1.803 -13.575 1.00 22.78 C +ATOM 1095 O TYR A 134 7.943 -0.587 -13.446 1.00 15.53 O +ATOM 1096 N LEU A 135 8.584 -2.631 -12.782 1.00 20.92 N +ATOM 1097 CA LEU A 135 9.495 -2.154 -11.752 1.00 20.28 C +ATOM 1098 CB LEU A 135 9.165 -2.810 -10.405 1.00 17.40 C +ATOM 1099 CG LEU A 135 9.821 -2.159 -9.195 1.00 19.59 C +ATOM 1100 CD1 LEU A 135 9.403 -0.705 -9.022 1.00 19.86 C +ATOM 1101 CD2 LEU A 135 9.497 -2.957 -7.948 1.00 18.34 C +ATOM 1102 C LEU A 135 10.906 -2.493 -12.240 1.00 19.49 C +ATOM 1103 O LEU A 135 11.294 -3.664 -12.280 1.00 21.86 O +ATOM 1104 N GLN A 136 11.657 -1.461 -12.640 1.00 18.05 N +ATOM 1105 CA GLN A 136 13.041 -1.614 -13.051 1.00 17.10 C +ATOM 1106 CB GLN A 136 13.665 -0.236 -13.417 1.00 26.31 C +ATOM 1107 CG GLN A 136 14.777 -0.294 -14.464 1.00 39.12 C +ATOM 1108 CD GLN A 136 15.318 1.074 -14.929 1.00 50.37 C +ATOM 1109 OE1 GLN A 136 15.077 1.483 -16.069 1.00 73.70 O +ATOM 1110 NE2 GLN A 136 16.074 1.760 -14.071 1.00 44.72 N +ATOM 1111 C GLN A 136 13.819 -2.347 -11.919 1.00 11.77 C +ATOM 1112 O GLN A 136 13.624 -2.081 -10.726 1.00 9.83 O +ATOM 1113 N ARG A 137 14.635 -3.319 -12.325 1.00 9.13 N +ATOM 1114 CA ARG A 137 15.623 -4.027 -11.511 1.00 9.26 C +ATOM 1115 CB ARG A 137 16.822 -4.296 -12.412 1.00 9.45 C +ATOM 1116 CG ARG A 137 16.655 -5.482 -13.326 1.00 7.99 C +ATOM 1117 CD ARG A 137 17.906 -5.620 -14.157 1.00 8.29 C +ATOM 1118 NE ARG A 137 17.924 -6.937 -14.724 1.00 7.81 N +ATOM 1119 CZ ARG A 137 18.919 -7.440 -15.404 1.00 6.98 C +ATOM 1120 NH1 ARG A 137 20.015 -6.751 -15.648 1.00 7.55 N +ATOM 1121 NH2 ARG A 137 18.810 -8.667 -15.831 1.00 7.93 N +ATOM 1122 C ARG A 137 16.142 -3.294 -10.287 1.00 9.30 C +ATOM 1123 O ARG A 137 15.964 -3.717 -9.137 1.00 7.70 O +ATOM 1124 N GLY A 138 16.804 -2.165 -10.552 1.00 10.91 N +ATOM 1125 CA GLY A 138 17.296 -1.302 -9.512 1.00 11.21 C +ATOM 1126 C GLY A 138 16.267 -1.061 -8.463 1.00 11.70 C +ATOM 1127 O GLY A 138 16.453 -1.386 -7.307 1.00 13.34 O +ATOM 1128 N LEU A 139 15.144 -0.470 -8.863 1.00 14.08 N +ATOM 1129 CA LEU A 139 14.143 -0.162 -7.901 1.00 18.01 C +ATOM 1130 CB LEU A 139 13.005 0.709 -8.473 1.00 28.25 C +ATOM 1131 CG LEU A 139 13.298 2.216 -8.567 1.00 37.18 C +ATOM 1132 CD1 LEU A 139 13.818 2.750 -7.239 1.00 34.03 C +ATOM 1133 CD2 LEU A 139 14.282 2.529 -9.694 1.00 43.14 C +ATOM 1134 C LEU A 139 13.598 -1.384 -7.233 1.00 12.45 C +ATOM 1135 O LEU A 139 13.144 -1.278 -6.108 1.00 12.20 O +ATOM 1136 N ILE A 140 13.570 -2.529 -7.924 1.00 12.62 N +ATOM 1137 CA ILE A 140 13.024 -3.706 -7.258 1.00 18.00 C +ATOM 1138 CB ILE A 140 12.508 -4.849 -8.159 1.00 27.50 C +ATOM 1139 CG1 ILE A 140 12.133 -6.129 -7.323 1.00 57.40 C +ATOM 1140 CD1 ILE A 140 11.057 -6.010 -6.219 1.00 51.20 C +ATOM 1141 CG2 ILE A 140 13.497 -5.201 -9.227 1.00 31.26 C +ATOM 1142 C ILE A 140 13.980 -4.206 -6.206 1.00 14.01 C +ATOM 1143 O ILE A 140 13.523 -4.655 -5.163 1.00 12.52 O +ATOM 1144 N ILE A 141 15.293 -4.066 -6.443 1.00 10.25 N +ATOM 1145 CA ILE A 141 16.231 -4.301 -5.364 1.00 9.31 C +ATOM 1146 CB ILE A 141 17.662 -4.035 -5.787 1.00 9.76 C +ATOM 1147 CG1 ILE A 141 18.116 -5.203 -6.656 1.00 10.18 C +ATOM 1148 CD1 ILE A 141 18.026 -6.534 -5.937 1.00 11.74 C +ATOM 1149 CG2 ILE A 141 18.551 -3.769 -4.557 1.00 8.46 C +ATOM 1150 C ILE A 141 15.859 -3.453 -4.140 1.00 8.65 C +ATOM 1151 O ILE A 141 15.760 -3.974 -3.011 1.00 8.01 O +ATOM 1152 N PHE A 142 15.607 -2.162 -4.359 1.00 7.17 N +ATOM 1153 CA PHE A 142 15.386 -1.278 -3.241 1.00 6.50 C +ATOM 1154 CB PHE A 142 15.615 0.176 -3.648 1.00 6.27 C +ATOM 1155 CG PHE A 142 17.033 0.460 -4.064 1.00 6.80 C +ATOM 1156 CD1 PHE A 142 18.081 0.379 -3.141 1.00 6.62 C +ATOM 1157 CE1 PHE A 142 19.376 0.632 -3.523 1.00 5.81 C +ATOM 1158 CZ PHE A 142 19.651 0.943 -4.827 1.00 6.29 C +ATOM 1159 CE2 PHE A 142 18.649 1.028 -5.756 1.00 5.97 C +ATOM 1160 CD2 PHE A 142 17.353 0.774 -5.389 1.00 6.58 C +ATOM 1161 C PHE A 142 14.034 -1.564 -2.596 1.00 7.08 C +ATOM 1162 O PHE A 142 13.867 -1.430 -1.356 1.00 6.64 O +ATOM 1163 N ALA A 143 13.066 -2.009 -3.410 1.00 7.18 N +ATOM 1164 CA ALA A 143 11.784 -2.410 -2.859 1.00 7.45 C +ATOM 1165 CB ALA A 143 10.753 -2.709 -3.944 1.00 8.30 C +ATOM 1166 C ALA A 143 11.991 -3.633 -1.984 1.00 8.58 C +ATOM 1167 O ALA A 143 11.497 -3.730 -0.844 1.00 8.72 O +ATOM 1168 N LEU A 144 12.753 -4.575 -2.525 1.00 8.93 N +ATOM 1169 CA LEU A 144 13.036 -5.788 -1.833 1.00 10.41 C +ATOM 1170 CB LEU A 144 13.729 -6.719 -2.790 1.00 9.30 C +ATOM 1171 CG LEU A 144 13.995 -8.114 -2.266 1.00 12.78 C +ATOM 1172 CD1 LEU A 144 12.729 -8.868 -1.879 1.00 12.69 C +ATOM 1173 CD2 LEU A 144 14.805 -8.864 -3.332 1.00 12.97 C +ATOM 1174 C LEU A 144 13.787 -5.549 -0.461 1.00 10.09 C +ATOM 1175 O LEU A 144 13.441 -6.139 0.568 1.00 9.09 O +ATOM 1176 N ILE A 145 14.778 -4.654 -0.455 1.00 9.56 N +ATOM 1177 CA ILE A 145 15.456 -4.271 0.778 1.00 9.18 C +ATOM 1178 CB ILE A 145 16.641 -3.309 0.469 1.00 9.69 C +ATOM 1179 CG1 ILE A 145 17.802 -4.055 -0.198 1.00 8.27 C +ATOM 1180 CD1 ILE A 145 18.862 -3.150 -0.760 1.00 8.96 C +ATOM 1181 CG2 ILE A 145 17.200 -2.668 1.716 1.00 9.74 C +ATOM 1182 C ILE A 145 14.456 -3.656 1.794 1.00 10.93 C +ATOM 1183 O ILE A 145 14.517 -3.953 2.986 1.00 9.25 O +ATOM 1184 N TRP A 146 13.548 -2.798 1.309 1.00 12.33 N +ATOM 1185 CA TRP A 146 12.535 -2.162 2.152 1.00 15.03 C +ATOM 1186 CB TRP A 146 11.660 -1.201 1.320 1.00 16.66 C +ATOM 1187 CG TRP A 146 11.018 -0.145 2.175 1.00 23.89 C +ATOM 1188 CD1 TRP A 146 9.671 0.050 2.425 1.00 22.13 C +ATOM 1189 NE1 TRP A 146 9.516 1.114 3.299 1.00 25.00 N +ATOM 1190 CE2 TRP A 146 10.758 1.605 3.618 1.00 28.39 C +ATOM 1191 CD2 TRP A 146 11.716 0.842 2.926 1.00 25.86 C +ATOM 1192 CE3 TRP A 146 13.078 1.158 3.074 1.00 33.64 C +ATOM 1193 CZ3 TRP A 146 13.435 2.215 3.906 1.00 35.89 C +ATOM 1194 CH2 TRP A 146 12.453 2.957 4.572 1.00 33.24 C +ATOM 1195 CZ2 TRP A 146 11.116 2.662 4.445 1.00 32.56 C +ATOM 1196 C TRP A 146 11.662 -3.228 2.845 1.00 13.29 C +ATOM 1197 O TRP A 146 11.397 -3.172 4.046 1.00 11.57 O +ATOM 1198 N ILE A 147 11.278 -4.238 2.072 1.00 12.37 N +ATOM 1199 CA ILE A 147 10.459 -5.341 2.569 1.00 13.81 C +ATOM 1200 CB ILE A 147 9.994 -6.230 1.389 1.00 13.43 C +ATOM 1201 CG1 ILE A 147 9.009 -5.463 0.486 1.00 14.72 C +ATOM 1202 CD1 ILE A 147 8.755 -6.170 -0.828 1.00 17.13 C +ATOM 1203 CG2 ILE A 147 9.330 -7.493 1.883 1.00 13.86 C +ATOM 1204 C ILE A 147 11.230 -6.150 3.610 1.00 11.85 C +ATOM 1205 O ILE A 147 10.708 -6.496 4.637 1.00 11.58 O +ATOM 1206 N VAL A 148 12.502 -6.441 3.329 1.00 13.87 N +ATOM 1207 CA VAL A 148 13.359 -7.127 4.287 1.00 12.37 C +ATOM 1208 CB VAL A 148 14.749 -7.401 3.696 1.00 13.53 C +ATOM 1209 CG1 VAL A 148 15.671 -8.006 4.744 1.00 12.17 C +ATOM 1210 CG2 VAL A 148 14.635 -8.366 2.510 1.00 14.45 C +ATOM 1211 C VAL A 148 13.481 -6.327 5.600 1.00 12.18 C +ATOM 1212 O VAL A 148 13.473 -6.904 6.692 1.00 10.26 O +ATOM 1213 N ALA A 149 13.624 -5.001 5.487 1.00 12.37 N +ATOM 1214 CA ALA A 149 13.775 -4.133 6.653 1.00 13.92 C +ATOM 1215 CB ALA A 149 13.865 -2.682 6.230 1.00 12.52 C +ATOM 1216 C ALA A 149 12.559 -4.314 7.577 1.00 19.91 C +ATOM 1217 O ALA A 149 12.705 -4.515 8.802 1.00 18.95 O +ATOM 1218 N GLY A 150 11.376 -4.237 6.960 1.00 15.29 N +ATOM 1219 CA GLY A 150 10.098 -4.395 7.645 1.00 21.90 C +ATOM 1220 C GLY A 150 9.979 -5.766 8.285 1.00 21.19 C +ATOM 1221 O GLY A 150 9.632 -5.864 9.467 1.00 20.08 O +ATOM 1222 N TRP A 151 10.343 -6.814 7.539 1.00 14.25 N +ATOM 1223 CA TRP A 151 10.147 -8.166 8.019 1.00 16.10 C +ATOM 1224 CB TRP A 151 10.466 -9.212 6.930 1.00 21.32 C +ATOM 1225 CG TRP A 151 10.058 -10.557 7.388 1.00 26.58 C +ATOM 1226 CD1 TRP A 151 10.862 -11.596 7.786 1.00 28.90 C +ATOM 1227 NE1 TRP A 151 10.098 -12.663 8.187 1.00 29.20 N +ATOM 1228 CE2 TRP A 151 8.771 -12.314 8.102 1.00 43.17 C +ATOM 1229 CD2 TRP A 151 8.711 -10.986 7.605 1.00 43.04 C +ATOM 1230 CE3 TRP A 151 7.451 -10.381 7.413 1.00 35.00 C +ATOM 1231 CZ3 TRP A 151 6.312 -11.101 7.726 1.00 39.38 C +ATOM 1232 CH2 TRP A 151 6.399 -12.427 8.222 1.00 36.13 C +ATOM 1233 CZ2 TRP A 151 7.613 -13.046 8.416 1.00 47.28 C +ATOM 1234 C TRP A 151 10.989 -8.449 9.284 1.00 16.03 C +ATOM 1235 O TRP A 151 10.527 -9.014 10.254 1.00 20.42 O +ATOM 1236 N PHE A 152 12.255 -8.055 9.249 1.00 13.13 N +ATOM 1237 CA PHE A 152 13.160 -8.288 10.326 1.00 9.38 C +ATOM 1238 CB PHE A 152 14.541 -8.605 9.751 1.00 8.08 C +ATOM 1239 CG PHE A 152 14.605 -9.910 9.054 1.00 6.45 C +ATOM 1240 CD1 PHE A 152 14.714 -11.067 9.772 1.00 6.02 C +ATOM 1241 CE1 PHE A 152 14.782 -12.295 9.131 1.00 6.85 C +ATOM 1242 CZ PHE A 152 14.707 -12.356 7.747 1.00 6.58 C +ATOM 1243 CE2 PHE A 152 14.561 -11.185 7.023 1.00 6.07 C +ATOM 1244 CD2 PHE A 152 14.521 -9.972 7.682 1.00 6.21 C +ATOM 1245 C PHE A 152 13.195 -7.097 11.273 1.00 9.61 C +ATOM 1246 O PHE A 152 13.997 -7.057 12.134 1.00 10.68 O +ATOM 1247 N ASP A 153 12.272 -6.150 11.120 1.00 15.13 N +ATOM 1248 CA ASP A 153 12.144 -5.003 12.011 1.00 18.45 C +ATOM 1249 CB ASP A 153 11.550 -5.333 13.411 1.00 27.46 C +ATOM 1250 CG ASP A 153 11.031 -4.030 14.145 1.00 33.43 C +ATOM 1251 OD1 ASP A 153 10.690 -3.046 13.421 1.00 34.18 O +ATOM 1252 OD2 ASP A 153 11.007 -3.962 15.406 1.00 24.69 O +ATOM 1253 C ASP A 153 13.445 -4.276 12.193 1.00 15.88 C +ATOM 1254 O ASP A 153 13.898 -4.055 13.303 1.00 13.39 O +ATOM 1255 N LEU A 154 14.023 -3.844 11.074 1.00 15.14 N +ATOM 1256 CA LEU A 154 15.277 -3.125 11.116 1.00 16.65 C +ATOM 1257 CB LEU A 154 16.030 -3.370 9.801 1.00 12.61 C +ATOM 1258 CG LEU A 154 16.365 -4.855 9.545 1.00 10.24 C +ATOM 1259 CD1 LEU A 154 17.150 -5.025 8.231 1.00 11.72 C +ATOM 1260 CD2 LEU A 154 17.125 -5.461 10.697 1.00 8.03 C +ATOM 1261 C LEU A 154 15.056 -1.635 11.464 1.00 17.35 C +ATOM 1262 O LEU A 154 15.983 -0.879 11.541 1.00 22.93 O +ATOM 1263 N PHE A 155 13.814 -1.266 11.766 1.00 24.98 N +ATOM 1264 CA PHE A 155 13.387 0.109 12.027 1.00 33.79 C +ATOM 1265 CB PHE A 155 12.072 0.342 11.316 1.00 27.67 C +ATOM 1266 CG PHE A 155 12.207 0.424 9.822 1.00 32.42 C +ATOM 1267 CD1 PHE A 155 13.134 1.291 9.237 1.00 22.21 C +ATOM 1268 CE1 PHE A 155 13.233 1.397 7.864 1.00 25.70 C +ATOM 1269 CZ PHE A 155 12.402 0.645 7.051 1.00 29.02 C +ATOM 1270 CE2 PHE A 155 11.473 -0.223 7.617 1.00 43.09 C +ATOM 1271 CD2 PHE A 155 11.373 -0.328 8.998 1.00 34.21 C +ATOM 1272 C PHE A 155 13.159 0.419 13.490 1.00 37.83 C +ATOM 1273 O PHE A 155 13.308 -0.463 14.339 1.00 28.41 O +ATOM 1274 N GLY A 156 12.797 1.687 13.756 1.00 38.40 N +ATOM 1275 CA GLY A 156 12.450 2.185 15.075 1.00 35.24 C +ATOM 1276 C GLY A 156 11.396 1.372 15.820 1.00 26.60 C +ATOM 1277 O GLY A 156 11.705 0.631 16.725 1.00 47.21 O +ATOM 1278 N MET A 157 10.136 1.525 15.442 1.00 24.95 N +ATOM 1279 CA MET A 157 9.049 0.928 16.186 1.00 28.59 C +ATOM 1280 CB MET A 157 7.849 1.879 16.250 1.00 39.60 C +ATOM 1281 CG MET A 157 6.919 1.987 15.032 1.00 47.28 C +ATOM 1282 SD MET A 157 5.221 2.488 15.537 1.00 49.14 S +ATOM 1283 CE MET A 157 5.555 4.014 16.445 1.00 47.84 C +ATOM 1284 C MET A 157 8.685 -0.422 15.603 1.00 26.25 C +ATOM 1285 O MET A 157 9.268 -0.822 14.633 1.00 24.50 O +ATOM 1286 N SER A 158 7.712 -1.114 16.208 1.00 24.79 N +ATOM 1287 CA SER A 158 7.184 -2.358 15.668 1.00 25.23 C +ATOM 1288 CB SER A 158 6.162 -2.943 16.610 1.00 32.87 C +ATOM 1289 OG SER A 158 6.737 -3.081 17.863 1.00 32.23 O +ATOM 1290 C SER A 158 6.538 -2.198 14.284 1.00 23.56 C +ATOM 1291 O SER A 158 5.947 -1.168 13.940 1.00 17.24 O +ATOM 1292 N MET A 159 6.668 -3.246 13.479 1.00 22.08 N +ATOM 1293 CA MET A 159 6.131 -3.225 12.144 1.00 24.12 C +ATOM 1294 CB MET A 159 7.080 -3.950 11.171 1.00 30.07 C +ATOM 1295 CG MET A 159 8.393 -3.212 10.927 1.00 25.31 C +ATOM 1296 SD MET A 159 8.215 -1.751 9.906 1.00 33.07 S +ATOM 1297 CE MET A 159 8.288 -0.504 11.209 1.00 33.31 C +ATOM 1298 C MET A 159 4.773 -3.898 12.197 1.00 18.37 C +ATOM 1299 O MET A 159 4.547 -4.846 12.958 1.00 14.74 O +ATOM 1300 N ALA A 160 3.851 -3.399 11.379 1.00 17.85 N +ATOM 1301 CA ALA A 160 2.554 -4.045 11.225 1.00 14.05 C +ATOM 1302 CB ALA A 160 1.534 -3.010 10.713 1.00 15.78 C +ATOM 1303 C ALA A 160 2.806 -5.172 10.227 1.00 12.19 C +ATOM 1304 O ALA A 160 2.717 -4.965 9.029 1.00 12.07 O +ATOM 1305 N ASN A 161 3.168 -6.355 10.739 1.00 13.53 N +ATOM 1306 CA ASN A 161 3.543 -7.489 9.892 1.00 19.51 C +ATOM 1307 CB ASN A 161 4.180 -8.630 10.669 1.00 17.89 C +ATOM 1308 CG ASN A 161 5.496 -8.232 11.317 1.00 22.17 C +ATOM 1309 OD1 ASN A 161 5.674 -8.424 12.513 1.00 33.97 O +ATOM 1310 ND2 ASN A 161 6.416 -7.682 10.540 1.00 23.40 N +ATOM 1311 C ASN A 161 2.358 -8.039 9.116 1.00 17.15 C +ATOM 1312 O ASN A 161 2.504 -8.438 7.962 1.00 12.86 O +ATOM 1313 N GLY A 162 1.178 -7.980 9.735 1.00 13.45 N +ATOM 1314 CA GLY A 162 -0.035 -8.445 9.097 1.00 13.72 C +ATOM 1315 C GLY A 162 -0.434 -7.526 7.981 1.00 11.46 C +ATOM 1316 O GLY A 162 -0.757 -7.987 6.917 1.00 13.83 O +ATOM 1317 N ALA A 163 -0.426 -6.214 8.234 1.00 12.52 N +ATOM 1318 CA ALA A 163 -0.695 -5.246 7.183 1.00 12.63 C +ATOM 1319 CB ALA A 163 -0.618 -3.805 7.684 1.00 14.33 C +ATOM 1320 C ALA A 163 0.283 -5.440 6.019 1.00 15.22 C +ATOM 1321 O ALA A 163 -0.100 -5.242 4.868 1.00 15.81 O +ATOM 1322 N HIS A 164 1.559 -5.737 6.316 1.00 16.26 N +ATOM 1323 CA HIS A 164 2.560 -5.848 5.242 1.00 13.79 C +ATOM 1324 CB HIS A 164 3.982 -5.892 5.775 1.00 13.42 C +ATOM 1325 CG HIS A 164 4.491 -4.560 6.218 1.00 13.02 C +ATOM 1326 ND1 HIS A 164 5.507 -4.419 7.136 1.00 17.19 N +ATOM 1327 CE1 HIS A 164 5.763 -3.139 7.318 1.00 14.34 C +ATOM 1328 NE2 HIS A 164 4.913 -2.437 6.593 1.00 14.26 N +ATOM 1329 CD2 HIS A 164 4.106 -3.306 5.894 1.00 16.05 C +ATOM 1330 C HIS A 164 2.292 -7.043 4.343 1.00 15.17 C +ATOM 1331 O HIS A 164 2.331 -6.914 3.109 1.00 9.69 O +ATOM 1332 N ILE A 165 2.031 -8.199 4.974 1.00 14.29 N +ATOM 1333 CA ILE A 165 1.845 -9.445 4.271 1.00 16.34 C +ATOM 1334 CB ILE A 165 1.694 -10.660 5.212 1.00 21.89 C +ATOM 1335 CG1 ILE A 165 2.894 -10.831 6.123 1.00 33.29 C +ATOM 1336 CD1 ILE A 165 2.571 -11.637 7.383 1.00 39.80 C +ATOM 1337 CG2 ILE A 165 1.550 -11.944 4.404 1.00 25.23 C +ATOM 1338 C ILE A 165 0.557 -9.324 3.450 1.00 13.49 C +ATOM 1339 O ILE A 165 0.525 -9.674 2.290 1.00 14.19 O +ATOM 1340 N ALA A 166 -0.507 -8.815 4.072 1.00 11.61 N +ATOM 1341 CA ALA A 166 -1.782 -8.678 3.408 1.00 12.97 C +ATOM 1342 CB ALA A 166 -2.811 -8.269 4.415 1.00 13.37 C +ATOM 1343 C ALA A 166 -1.742 -7.707 2.179 1.00 12.77 C +ATOM 1344 O ALA A 166 -2.297 -8.000 1.121 1.00 16.05 O +ATOM 1345 N GLY A 167 -1.041 -6.588 2.323 1.00 11.83 N +ATOM 1346 CA GLY A 167 -0.935 -5.569 1.294 1.00 12.25 C +ATOM 1347 C GLY A 167 -0.168 -6.142 0.118 1.00 16.57 C +ATOM 1348 O GLY A 167 -0.621 -6.066 -1.018 1.00 15.94 O +ATOM 1349 N LEU A 168 0.971 -6.783 0.405 1.00 16.37 N +ATOM 1350 CA LEU A 168 1.788 -7.406 -0.648 1.00 18.66 C +ATOM 1351 CB LEU A 168 3.027 -8.093 -0.065 1.00 16.91 C +ATOM 1352 CG LEU A 168 4.025 -8.754 -1.033 1.00 17.02 C +ATOM 1353 CD1 LEU A 168 4.516 -7.768 -2.092 1.00 16.33 C +ATOM 1354 CD2 LEU A 168 5.195 -9.274 -0.216 1.00 18.17 C +ATOM 1355 C LEU A 168 0.944 -8.437 -1.419 1.00 17.50 C +ATOM 1356 O LEU A 168 0.932 -8.418 -2.636 1.00 15.54 O +ATOM 1357 N ALA A 169 0.245 -9.313 -0.680 1.00 15.54 N +ATOM 1358 CA ALA A 169 -0.643 -10.315 -1.249 1.00 19.82 C +ATOM 1359 CB ALA A 169 -1.332 -11.102 -0.143 1.00 20.15 C +ATOM 1360 C ALA A 169 -1.698 -9.715 -2.178 1.00 17.04 C +ATOM 1361 O ALA A 169 -1.938 -10.229 -3.247 1.00 18.40 O +ATOM 1362 N VAL A 170 -2.356 -8.647 -1.720 1.00 16.33 N +ATOM 1363 CA VAL A 170 -3.389 -7.976 -2.502 1.00 15.30 C +ATOM 1364 CB VAL A 170 -3.990 -6.806 -1.708 1.00 15.13 C +ATOM 1365 CG1 VAL A 170 -4.709 -5.819 -2.610 1.00 17.24 C +ATOM 1366 CG2 VAL A 170 -4.949 -7.317 -0.691 1.00 17.75 C +ATOM 1367 C VAL A 170 -2.823 -7.466 -3.849 1.00 12.50 C +ATOM 1368 O VAL A 170 -3.435 -7.645 -4.890 1.00 15.58 O +ATOM 1369 N GLY A 171 -1.652 -6.834 -3.794 1.00 12.65 N +ATOM 1370 CA GLY A 171 -0.972 -6.306 -4.954 1.00 12.55 C +ATOM 1371 C GLY A 171 -0.666 -7.394 -5.979 1.00 12.05 C +ATOM 1372 O GLY A 171 -0.957 -7.269 -7.167 1.00 10.67 O +ATOM 1373 N LEU A 172 -0.032 -8.465 -5.506 1.00 12.60 N +ATOM 1374 CA LEU A 172 0.328 -9.595 -6.354 1.00 10.75 C +ATOM 1375 CB LEU A 172 1.052 -10.670 -5.554 1.00 10.43 C +ATOM 1376 CG LEU A 172 2.444 -10.231 -5.048 1.00 10.97 C +ATOM 1377 CD1 LEU A 172 3.068 -11.352 -4.219 1.00 10.41 C +ATOM 1378 CD2 LEU A 172 3.427 -9.740 -6.104 1.00 9.57 C +ATOM 1379 C LEU A 172 -0.913 -10.180 -7.027 1.00 10.15 C +ATOM 1380 O LEU A 172 -0.905 -10.472 -8.216 1.00 11.39 O +ATOM 1381 N ALA A 173 -1.988 -10.311 -6.252 1.00 11.33 N +ATOM 1382 CA ALA A 173 -3.220 -10.950 -6.681 1.00 11.38 C +ATOM 1383 CB ALA A 173 -4.119 -11.233 -5.467 1.00 11.60 C +ATOM 1384 C ALA A 173 -3.971 -10.124 -7.721 1.00 10.08 C +ATOM 1385 O ALA A 173 -4.545 -10.667 -8.641 1.00 6.75 O +ATOM 1386 N MET A 174 -4.022 -8.805 -7.512 1.00 11.63 N +ATOM 1387 CA MET A 174 -4.630 -7.921 -8.483 1.00 11.25 C +ATOM 1388 CB MET A 174 -4.822 -6.526 -7.911 1.00 12.02 C +ATOM 1389 CG MET A 174 -5.956 -6.449 -6.887 1.00 15.32 C +ATOM 1390 SD MET A 174 -6.047 -4.785 -6.163 1.00 15.04 S +ATOM 1391 CE MET A 174 -7.121 -3.976 -7.382 1.00 12.84 C +ATOM 1392 C MET A 174 -3.833 -7.881 -9.792 1.00 11.07 C +ATOM 1393 O MET A 174 -4.427 -7.776 -10.897 1.00 9.35 O +ATOM 1394 N ALA A 175 -2.498 -7.964 -9.668 1.00 11.79 N +ATOM 1395 CA ALA A 175 -1.603 -7.997 -10.827 1.00 11.52 C +ATOM 1396 CB ALA A 175 -0.134 -7.920 -10.395 1.00 12.52 C +ATOM 1397 C ALA A 175 -1.871 -9.244 -11.669 1.00 10.15 C +ATOM 1398 O ALA A 175 -1.958 -9.165 -12.872 1.00 9.36 O +ATOM 1399 N PHE A 176 -2.007 -10.382 -10.983 1.00 10.78 N +ATOM 1400 CA PHE A 176 -2.358 -11.679 -11.542 1.00 11.72 C +ATOM 1401 CB PHE A 176 -2.445 -12.732 -10.418 1.00 14.22 C +ATOM 1402 CG PHE A 176 -2.761 -14.091 -10.912 1.00 18.68 C +ATOM 1403 CD1 PHE A 176 -1.750 -14.951 -11.277 1.00 22.29 C +ATOM 1404 CE1 PHE A 176 -2.047 -16.194 -11.782 1.00 25.58 C +ATOM 1405 CZ PHE A 176 -3.362 -16.590 -11.931 1.00 24.53 C +ATOM 1406 CE2 PHE A 176 -4.380 -15.742 -11.574 1.00 25.31 C +ATOM 1407 CD2 PHE A 176 -4.076 -14.496 -11.066 1.00 23.15 C +ATOM 1408 C PHE A 176 -3.680 -11.619 -12.287 1.00 11.73 C +ATOM 1409 O PHE A 176 -3.774 -12.015 -13.462 1.00 11.14 O +ATOM 1410 N VAL A 177 -4.705 -11.112 -11.599 1.00 10.67 N +ATOM 1411 CA VAL A 177 -6.025 -10.972 -12.179 1.00 11.71 C +ATOM 1412 CB VAL A 177 -7.065 -10.455 -11.135 1.00 16.60 C +ATOM 1413 CG1 VAL A 177 -8.386 -10.024 -11.816 1.00 14.00 C +ATOM 1414 CG2 VAL A 177 -7.303 -11.520 -10.041 1.00 16.83 C +ATOM 1415 C VAL A 177 -5.962 -10.056 -13.401 1.00 8.91 C +ATOM 1416 O VAL A 177 -6.437 -10.424 -14.422 1.00 6.73 O +ATOM 1417 N ASP A 178 -5.336 -8.880 -13.272 1.00 9.91 N +ATOM 1418 CA ASP A 178 -5.197 -7.948 -14.398 1.00 10.55 C +ATOM 1419 CB ASP A 178 -4.608 -6.638 -13.976 1.00 9.42 C +ATOM 1420 CG ASP A 178 -5.508 -5.868 -13.045 1.00 12.66 C +ATOM 1421 OD1 ASP A 178 -6.660 -6.310 -12.846 1.00 10.80 O +ATOM 1422 OD2 ASP A 178 -5.084 -4.791 -12.520 1.00 9.20 O +ATOM 1423 C ASP A 178 -4.380 -8.495 -15.578 1.00 11.79 C +ATOM 1424 O ASP A 178 -4.586 -8.067 -16.709 1.00 11.79 O +ATOM 1425 N SER A 179 -3.502 -9.466 -15.305 1.00 15.85 N +ATOM 1426 CA SER A 179 -2.658 -10.101 -16.314 1.00 17.77 C +ATOM 1427 CB SER A 179 -1.473 -10.763 -15.642 1.00 18.19 C +ATOM 1428 OG SER A 179 -0.605 -9.801 -15.113 1.00 25.24 O +ATOM 1429 C SER A 179 -3.367 -11.185 -17.107 1.00 25.25 C +ATOM 1430 O SER A 179 -2.833 -11.682 -18.120 1.00 25.62 O +ATOM 1431 N LEU A 180 -4.540 -11.616 -16.632 1.00 26.63 N +ATOM 1432 CA LEU A 180 -5.271 -12.636 -17.357 1.00 29.49 C +ATOM 1433 CB LEU A 180 -6.304 -13.306 -16.460 1.00 27.08 C +ATOM 1434 CG LEU A 180 -5.711 -14.207 -15.380 1.00 25.36 C +ATOM 1435 CD1 LEU A 180 -6.841 -14.759 -14.534 1.00 29.68 C +ATOM 1436 CD2 LEU A 180 -4.903 -15.344 -15.972 1.00 25.61 C +ATOM 1437 C LEU A 180 -5.867 -12.022 -18.639 1.00 36.61 C +ATOM 1438 O LEU A 180 -5.913 -12.692 -19.694 1.00 32.04 O +ATOM 1439 N ASN A 181 -6.262 -10.741 -18.544 1.00 38.78 N +ATOM 1440 CA ASN A 181 -6.744 -9.952 -19.686 1.00 54.97 C +ATOM 1441 CB ASN A 181 -7.402 -8.636 -19.225 1.00 67.37 C +ATOM 1442 CG ASN A 181 -8.421 -8.825 -18.095 1.00 73.12 C +ATOM 1443 OD1 ASN A 181 -9.609 -9.072 -18.334 1.00 52.00 O +ATOM 1444 ND2 ASN A 181 -7.961 -8.669 -16.856 1.00 60.66 N +ATOM 1445 C ASN A 181 -5.609 -9.615 -20.685 1.00 76.54 C +ATOM 1446 O ASN A 181 -4.557 -9.068 -20.289 1.00 63.45 O +ATOM 1447 N ALA A 182 -5.846 -9.945 -21.969 1.00 63.44 N +ATOM 1448 CA ALA A 182 -4.904 -9.757 -23.085 1.00 54.25 C +ATOM 1449 CB ALA A 182 -4.912 -8.312 -23.569 1.00 52.80 C +ATOM 1450 C ALA A 182 -3.480 -10.202 -22.749 1.00 57.61 C +ATOM 1451 O ALA A 182 -3.280 -11.181 -22.028 1.00 50.41 O +TER 1452 ALA A 182 +END diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile00010 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile00010 new file mode 100644 index 0000000..1026e0c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile00010 @@ -0,0 +1,5 @@ +total 2 +1 +M 10 M +1 +M 10 A \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile00100 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile00100 new file mode 100644 index 0000000..0605827 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile00100 @@ -0,0 +1,5 @@ +total 2 +1 +Q 100 Q +1 +Q 100 A \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile111_164 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile111_164 new file mode 100644 index 0000000..b61425b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mutfiles/mutfile111_164 @@ -0,0 +1,7 @@ +total 4 +2 +S 111 S +H 164 H +2 +S 111 A +H 164 A diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile00010 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile00010 new file mode 100644 index 0000000..1026e0c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile00010 @@ -0,0 +1,5 @@ +total 2 +1 +M 10 M +1 +M 10 A \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile00100 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile00100 new file mode 100644 index 0000000..0605827 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile00100 @@ -0,0 +1,5 @@ +total 2 +1 +Q 100 Q +1 +Q 100 A \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile111_164 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile111_164 new file mode 100644 index 0000000..b61425b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/mutfiles/mutfile111_164 @@ -0,0 +1,7 @@ +total 4 +2 +S 111 S +H 164 H +2 +S 111 A +H 164 A diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/output.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/output.pdb new file mode 100644 index 0000000..3168a3a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/output.pdb @@ -0,0 +1,1453 @@ +ATOM 1 N GLU A 1 4.380 17.924 -15.176 1.00 43.35 N +ATOM 2 CA GLU A 1 3.896 17.224 -13.952 1.00 55.59 C +ATOM 3 CB GLU A 1 2.388 17.408 -13.815 1.00 53.53 C +ATOM 4 CG GLU A 1 1.872 17.441 -12.391 1.00 34.05 C +ATOM 5 CD GLU A 1 0.404 17.742 -12.405 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -0.368 16.783 -12.568 1.00 53.50 O +ATOM 7 OE2 GLU A 1 0.018 18.929 -12.304 1.00 36.54 O +ATOM 8 C GLU A 1 4.267 15.736 -13.951 1.00 46.53 C +ATOM 9 O GLU A 1 5.331 15.372 -14.468 1.00 50.24 O +ATOM 10 N ARG A 2 3.381 14.901 -13.386 1.00 38.93 N +ATOM 11 CA ARG A 2 3.672 13.516 -12.988 1.00 54.74 C +ATOM 12 CB ARG A 2 4.985 13.447 -12.152 1.00 50.45 C +ATOM 13 CG ARG A 2 5.153 12.281 -11.170 1.00 57.12 C +ATOM 14 CD ARG A 2 6.103 11.187 -11.647 1.00 57.44 C +ATOM 15 NE ARG A 2 5.685 9.836 -11.225 1.00 52.68 N +ATOM 16 CZ ARG A 2 6.224 8.706 -11.695 1.00 48.62 C +ATOM 17 NH1 ARG A 2 7.226 8.735 -12.586 1.00 54.86 N +ATOM 18 NH2 ARG A 2 5.783 7.532 -11.272 1.00 28.66 N +ATOM 19 C ARG A 2 2.450 12.956 -12.225 1.00 66.99 C +ATOM 20 O ARG A 2 1.747 12.086 -12.739 1.00 85.13 O +ATOM 21 N ALA A 3 2.206 13.477 -11.012 1.00 43.05 N +ATOM 22 CA ALA A 3 1.107 13.045 -10.131 1.00 41.35 C +ATOM 23 CB ALA A 3 1.329 13.583 -8.695 1.00 34.83 C +ATOM 24 C ALA A 3 -0.306 13.473 -10.625 1.00 29.58 C +ATOM 25 O ALA A 3 -0.636 14.670 -10.594 1.00 21.07 O +ATOM 26 N GLY A 4 -1.124 12.494 -11.045 1.00 20.97 N +ATOM 27 CA GLY A 4 -2.550 12.686 -11.224 1.00 16.58 C +ATOM 28 C GLY A 4 -3.257 13.042 -9.911 1.00 18.06 C +ATOM 29 O GLY A 4 -2.664 13.030 -8.823 1.00 16.28 O +ATOM 30 N PRO A 5 -4.579 13.320 -9.958 1.00 12.89 N +ATOM 31 CA PRO A 5 -5.304 13.785 -8.773 1.00 10.80 C +ATOM 32 CB PRO A 5 -6.734 14.059 -9.314 1.00 10.45 C +ATOM 33 CG PRO A 5 -6.807 13.269 -10.579 1.00 9.74 C +ATOM 34 CD PRO A 5 -5.430 13.190 -11.151 1.00 10.46 C +ATOM 35 C PRO A 5 -5.352 12.798 -7.634 1.00 11.27 C +ATOM 36 O PRO A 5 -5.394 13.220 -6.491 1.00 13.59 O +ATOM 37 N VAL A 6 -5.414 11.496 -7.922 1.00 9.93 N +ATOM 38 CA VAL A 6 -5.510 10.540 -6.832 1.00 12.26 C +ATOM 39 CB VAL A 6 -5.921 9.142 -7.312 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -5.861 8.139 -6.165 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -7.320 9.187 -7.929 1.00 17.43 C +ATOM 42 C VAL A 6 -4.162 10.478 -6.127 1.00 10.99 C +ATOM 43 O VAL A 6 -4.089 10.549 -4.900 1.00 8.01 O +ATOM 44 N THR A 7 -3.084 10.375 -6.915 1.00 10.58 N +ATOM 45 CA THR A 7 -1.731 10.431 -6.338 1.00 12.65 C +ATOM 46 CB THR A 7 -0.664 10.439 -7.419 1.00 11.06 C +ATOM 47 OG1 THR A 7 -0.805 9.237 -8.216 1.00 10.95 O +ATOM 48 CG2 THR A 7 0.697 10.479 -6.726 1.00 11.91 C +ATOM 49 C THR A 7 -1.543 11.639 -5.413 1.00 13.19 C +ATOM 50 O THR A 7 -1.058 11.520 -4.300 1.00 10.71 O +ATOM 51 N TRP A 8 -2.027 12.792 -5.886 1.00 13.70 N +ATOM 52 CA TRP A 8 -1.882 14.073 -5.213 1.00 14.00 C +ATOM 53 CB TRP A 8 -2.279 15.132 -6.214 1.00 11.57 C +ATOM 54 CG TRP A 8 -2.343 16.504 -5.772 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -3.405 17.341 -5.917 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -3.101 18.583 -5.477 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -1.811 18.586 -5.019 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -1.300 17.284 -5.203 1.00 20.29 C +ATOM 59 CE3 TRP A 8 0.014 17.018 -4.829 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 0.765 18.044 -4.252 1.00 29.87 C +ATOM 61 CH2 TRP A 8 0.231 19.341 -4.087 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -1.049 19.632 -4.462 1.00 23.41 C +ATOM 63 C TRP A 8 -2.730 14.179 -3.951 1.00 11.19 C +ATOM 64 O TRP A 8 -2.261 14.618 -2.913 1.00 9.21 O +ATOM 65 N VAL A 9 -4.004 13.821 -4.063 1.00 10.48 N +ATOM 66 CA VAL A 9 -4.901 14.010 -2.962 1.00 13.92 C +ATOM 67 CB VAL A 9 -6.384 13.867 -3.364 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -7.269 13.721 -2.133 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -6.809 15.081 -4.144 1.00 20.11 C +ATOM 70 C VAL A 9 -4.493 13.124 -1.778 1.00 10.13 C +ATOM 71 O VAL A 9 -4.557 13.548 -0.666 1.00 7.20 O +ATOM 72 N MET A 10 -4.026 11.906 -2.046 1.00 10.15 N +ATOM 73 CA MET A 10 -3.566 11.054 -0.969 1.00 11.00 C +ATOM 74 CB MET A 10 -3.181 9.713 -1.563 1.00 14.36 C +ATOM 75 CG MET A 10 -2.397 8.800 -0.624 1.00 16.11 C +ATOM 76 SD MET A 10 -3.393 8.267 0.783 1.00 21.05 S +ATOM 77 CE MET A 10 -4.545 7.153 0.009 1.00 21.21 C +ATOM 78 C MET A 10 -2.351 11.684 -0.222 1.00 13.64 C +ATOM 79 O MET A 10 -2.227 11.526 1.010 1.00 12.82 O +ATOM 80 N MET A 11 -1.422 12.302 -0.986 1.00 12.90 N +ATOM 81 CA MET A 11 -0.214 12.978 -0.438 1.00 14.44 C +ATOM 82 CB MET A 11 0.704 13.470 -1.567 1.00 12.49 C +ATOM 83 CG MET A 11 1.428 12.320 -2.250 1.00 14.38 C +ATOM 84 SD MET A 11 2.386 12.677 -3.757 1.00 14.01 S +ATOM 85 CE MET A 11 3.976 13.088 -3.023 1.00 15.48 C +ATOM 86 C MET A 11 -0.629 14.143 0.459 1.00 13.69 C +ATOM 87 O MET A 11 -0.228 14.229 1.610 1.00 13.74 O +ATOM 88 N ILE A 12 -1.481 15.008 -0.083 1.00 12.10 N +ATOM 89 CA ILE A 12 -2.049 16.103 0.664 1.00 17.28 C +ATOM 90 CB ILE A 12 -3.100 16.825 -0.202 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -2.401 17.671 -1.234 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -3.359 18.231 -2.287 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -4.029 17.681 0.651 1.00 23.33 C +ATOM 94 C ILE A 12 -2.697 15.597 1.966 1.00 13.47 C +ATOM 95 O ILE A 12 -2.426 16.088 3.061 1.00 14.37 O +ATOM 96 N ALA A 13 -3.560 14.591 1.828 1.00 14.13 N +ATOM 97 CA ALA A 13 -4.288 14.023 2.939 1.00 11.62 C +ATOM 98 CB ALA A 13 -5.221 12.952 2.470 1.00 10.69 C +ATOM 99 C ALA A 13 -3.364 13.479 4.025 1.00 13.08 C +ATOM 100 O ALA A 13 -3.597 13.728 5.185 1.00 14.09 O +ATOM 101 N CYS A 14 -2.306 12.756 3.632 1.00 12.24 N +ATOM 102 CA CYS A 14 -1.334 12.232 4.598 1.00 14.03 C +ATOM 103 CB CYS A 14 -0.343 11.275 3.893 1.00 12.92 C +ATOM 104 SG CYS A 14 -1.073 9.684 3.499 1.00 12.25 S +ATOM 105 C CYS A 14 -0.548 13.355 5.340 1.00 12.57 C +ATOM 106 O CYS A 14 -0.250 13.252 6.541 1.00 9.48 O +ATOM 107 N VAL A 15 -0.234 14.425 4.607 1.00 9.94 N +ATOM 108 CA VAL A 15 0.485 15.525 5.184 1.00 11.41 C +ATOM 109 CB VAL A 15 1.040 16.443 4.116 1.00 11.06 C +ATOM 110 CG1 VAL A 15 1.632 17.660 4.791 1.00 10.96 C +ATOM 111 CG2 VAL A 15 2.110 15.683 3.291 1.00 10.71 C +ATOM 112 C VAL A 15 -0.390 16.273 6.189 1.00 13.34 C +ATOM 113 O VAL A 15 0.037 16.552 7.323 1.00 9.03 O +ATOM 114 N VAL A 16 -1.626 16.563 5.784 1.00 13.58 N +ATOM 115 CA VAL A 16 -2.582 17.233 6.681 1.00 18.01 C +ATOM 116 CB VAL A 16 -3.922 17.515 5.965 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -4.978 17.959 6.944 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -3.744 18.613 4.940 1.00 15.20 C +ATOM 119 C VAL A 16 -2.791 16.412 7.975 1.00 12.72 C +ATOM 120 O VAL A 16 -2.794 16.962 9.062 1.00 10.60 O +ATOM 121 N VAL A 17 -2.983 15.096 7.833 1.00 11.76 N +ATOM 122 CA VAL A 17 -3.165 14.255 8.981 1.00 11.25 C +ATOM 123 CB VAL A 17 -3.573 12.835 8.617 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -3.614 11.951 9.893 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -4.943 12.838 7.947 1.00 13.31 C +ATOM 126 C VAL A 17 -1.902 14.258 9.886 1.00 10.41 C +ATOM 127 O VAL A 17 -2.006 14.339 11.091 1.00 7.15 O +ATOM 128 N PHE A 18 -0.720 14.223 9.267 1.00 9.81 N +ATOM 129 CA PHE A 18 0.534 14.235 9.999 1.00 8.70 C +ATOM 130 CB PHE A 18 1.695 14.083 9.002 1.00 9.07 C +ATOM 131 CG PHE A 18 3.024 13.806 9.663 1.00 9.17 C +ATOM 132 CD1 PHE A 18 3.260 12.581 10.295 1.00 9.97 C +ATOM 133 CE1 PHE A 18 4.483 12.316 10.894 1.00 11.77 C +ATOM 134 CZ PHE A 18 5.472 13.275 10.892 1.00 11.90 C +ATOM 135 CE2 PHE A 18 5.238 14.487 10.255 1.00 12.88 C +ATOM 136 CD2 PHE A 18 4.004 14.734 9.648 1.00 9.87 C +ATOM 137 C PHE A 18 0.682 15.508 10.834 1.00 8.93 C +ATOM 138 O PHE A 18 1.157 15.482 11.972 1.00 9.10 O +ATOM 139 N ILE A 19 0.304 16.648 10.243 1.00 8.90 N +ATOM 140 CA ILE A 19 0.315 17.917 10.917 1.00 8.28 C +ATOM 141 CB ILE A 19 -0.088 19.041 9.962 1.00 9.07 C +ATOM 142 CG1 ILE A 19 1.039 19.280 8.957 1.00 8.90 C +ATOM 143 CD1 ILE A 19 0.719 20.346 7.925 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -0.337 20.329 10.731 1.00 9.09 C +ATOM 145 C ILE A 19 -0.627 17.906 12.134 1.00 8.37 C +ATOM 146 O ILE A 19 -0.251 18.322 13.255 1.00 7.02 O +ATOM 147 N ALA A 20 -1.846 17.415 11.914 1.00 8.61 N +ATOM 148 CA ALA A 20 -2.819 17.292 12.971 1.00 8.46 C +ATOM 149 CB ALA A 20 -4.076 16.643 12.443 1.00 6.88 C +ATOM 150 C ALA A 20 -2.227 16.438 14.121 1.00 9.83 C +ATOM 151 O ALA A 20 -2.456 16.731 15.313 1.00 10.17 O +ATOM 152 N MET A 21 -1.519 15.355 13.754 1.00 8.36 N +ATOM 153 CA MET A 21 -0.931 14.472 14.711 1.00 7.84 C +ATOM 154 CB MET A 21 -0.375 13.217 14.019 1.00 10.18 C +ATOM 155 CG MET A 21 -1.422 12.329 13.402 1.00 9.75 C +ATOM 156 SD MET A 21 -0.788 10.889 12.514 1.00 11.62 S +ATOM 157 CE MET A 21 -0.317 9.895 13.939 1.00 11.65 C +ATOM 158 C MET A 21 0.149 15.212 15.504 1.00 8.45 C +ATOM 159 O MET A 21 0.309 14.980 16.707 1.00 9.99 O +ATOM 160 N GLN A 22 0.893 16.123 14.861 1.00 8.76 N +ATOM 161 CA GLN A 22 1.959 16.871 15.611 1.00 8.75 C +ATOM 162 CB GLN A 22 2.981 17.595 14.703 1.00 8.72 C +ATOM 163 CG GLN A 22 3.639 16.757 13.598 1.00 13.04 C +ATOM 164 CD GLN A 22 4.001 15.327 14.026 1.00 12.79 C +ATOM 165 OE1 GLN A 22 4.847 15.146 14.896 1.00 11.44 O +ATOM 166 NE2 GLN A 22 3.347 14.316 13.425 1.00 13.13 N +ATOM 167 C GLN A 22 1.379 17.897 16.603 1.00 8.93 C +ATOM 168 O GLN A 22 1.968 18.175 17.615 1.00 9.72 O +ATOM 169 N ILE A 23 0.235 18.489 16.268 1.00 8.82 N +ATOM 170 CA ILE A 23 -0.402 19.500 17.090 1.00 8.84 C +ATOM 171 CB ILE A 23 -1.442 20.291 16.250 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -0.745 21.081 15.118 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -1.715 21.559 14.046 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -2.266 21.226 17.126 1.00 8.45 C +ATOM 175 C ILE A 23 -1.135 18.835 18.247 1.00 8.69 C +ATOM 176 O ILE A 23 -0.964 19.180 19.397 1.00 8.45 O +ATOM 177 N LEU A 24 -1.986 17.867 17.909 1.00 9.04 N +ATOM 178 CA LEU A 24 -2.901 17.218 18.842 1.00 9.19 C +ATOM 179 CB LEU A 24 -4.114 16.779 18.051 1.00 9.90 C +ATOM 180 CG LEU A 24 -4.984 17.857 17.398 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -6.171 17.214 16.670 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -5.450 18.870 18.454 1.00 13.72 C +ATOM 183 C LEU A 24 -2.296 15.978 19.565 1.00 10.54 C +ATOM 184 O LEU A 24 -2.837 15.515 20.595 1.00 10.70 O +ATOM 185 N GLY A 25 -1.198 15.436 19.003 1.00 9.22 N +ATOM 186 CA GLY A 25 -0.608 14.199 19.465 1.00 8.44 C +ATOM 187 C GLY A 25 -1.221 13.054 18.677 1.00 7.11 C +ATOM 188 O GLY A 25 -2.352 13.112 18.194 1.00 8.08 O +ATOM 189 N ASP A 26 -0.433 12.005 18.485 1.00 7.41 N +ATOM 190 CA ASP A 26 -0.871 10.810 17.752 1.00 8.57 C +ATOM 191 CB ASP A 26 0.221 9.755 17.815 1.00 8.77 C +ATOM 192 CG ASP A 26 1.487 10.154 17.034 1.00 11.15 C +ATOM 193 OD1 ASP A 26 1.530 11.258 16.388 1.00 9.80 O +ATOM 194 OD2 ASP A 26 2.457 9.359 17.127 1.00 13.47 O +ATOM 195 C ASP A 26 -2.169 10.166 18.258 1.00 8.19 C +ATOM 196 O ASP A 26 -3.030 9.777 17.474 1.00 7.73 O +ATOM 197 N GLN A 27 -2.308 10.063 19.582 1.00 9.65 N +ATOM 198 CA GLN A 27 -3.384 9.248 20.141 1.00 10.93 C +ATOM 199 CB GLN A 27 -3.069 8.667 21.552 1.00 12.23 C +ATOM 200 CG GLN A 27 -2.099 9.373 22.514 1.00 14.65 C +ATOM 201 CD GLN A 27 -0.731 9.768 21.951 1.00 13.37 C +ATOM 202 OE1 GLN A 27 -0.422 10.937 21.882 1.00 10.98 O +ATOM 203 NE2 GLN A 27 0.085 8.792 21.565 1.00 18.13 N +ATOM 204 C GLN A 27 -4.771 9.943 20.007 1.00 10.39 C +ATOM 205 O GLN A 27 -5.788 9.276 19.857 1.00 8.26 O +ATOM 206 N GLU A 28 -4.787 11.282 20.022 1.00 9.56 N +ATOM 207 CA GLU A 28 -6.010 12.060 19.729 1.00 8.86 C +ATOM 208 CB GLU A 28 -5.778 13.542 19.958 1.00 10.52 C +ATOM 209 CG GLU A 28 -6.975 14.426 19.664 1.00 12.28 C +ATOM 210 CD GLU A 28 -8.185 14.081 20.490 1.00 13.68 C +ATOM 211 OE1 GLU A 28 -8.052 13.622 21.637 1.00 16.22 O +ATOM 212 OE2 GLU A 28 -9.284 14.276 19.987 1.00 18.20 O +ATOM 213 C GLU A 28 -6.455 11.848 18.294 1.00 7.50 C +ATOM 214 O GLU A 28 -7.629 11.751 18.041 1.00 6.97 O +ATOM 215 N VAL A 29 -5.509 11.749 17.358 1.00 7.10 N +ATOM 216 CA VAL A 29 -5.840 11.493 15.970 1.00 7.74 C +ATOM 217 CB VAL A 29 -4.775 11.960 14.948 1.00 7.94 C +ATOM 218 CG1 VAL A 29 -5.242 11.694 13.503 1.00 8.07 C +ATOM 219 CG2 VAL A 29 -4.519 13.466 15.086 1.00 8.53 C +ATOM 220 C VAL A 29 -6.256 10.032 15.741 1.00 9.26 C +ATOM 221 O VAL A 29 -7.239 9.780 15.040 1.00 11.33 O +ATOM 222 N MET A 30 -5.529 9.072 16.313 1.00 10.79 N +ATOM 223 CA MET A 30 -6.003 7.663 16.364 1.00 11.74 C +ATOM 224 CB MET A 30 -5.146 6.823 17.311 1.00 14.27 C +ATOM 225 CG MET A 30 -3.627 6.664 16.947 1.00 15.81 C +ATOM 226 SD MET A 30 -3.356 5.058 16.224 1.00 33.08 S +ATOM 227 CE MET A 30 -3.938 5.514 14.643 1.00 20.74 C +ATOM 228 C MET A 30 -7.487 7.572 16.815 1.00 14.59 C +ATOM 229 O MET A 30 -8.307 6.837 16.193 1.00 12.77 O +ATOM 230 N LEU A 31 -7.860 8.332 17.856 1.00 14.76 N +ATOM 231 CA LEU A 31 -9.257 8.329 18.337 1.00 15.82 C +ATOM 232 CB LEU A 31 -9.547 9.420 19.330 1.00 17.44 C +ATOM 233 CG LEU A 31 -9.151 9.271 20.772 1.00 16.70 C +ATOM 234 CD1 LEU A 31 -10.012 10.277 21.515 1.00 17.12 C +ATOM 235 CD2 LEU A 31 -9.364 7.871 21.316 1.00 21.43 C +ATOM 236 C LEU A 31 -10.272 8.530 17.236 1.00 14.45 C +ATOM 237 O LEU A 31 -11.346 7.927 17.248 1.00 13.84 O +ATOM 238 N TRP A 32 -9.943 9.398 16.288 1.00 12.40 N +ATOM 239 CA TRP A 32 -10.850 9.712 15.190 1.00 14.56 C +ATOM 240 CB TRP A 32 -10.691 11.187 14.746 1.00 18.78 C +ATOM 241 CG TRP A 32 -11.484 12.103 15.659 1.00 32.68 C +ATOM 242 CD1 TRP A 32 -11.206 12.385 16.969 1.00 39.08 C +ATOM 243 NE1 TRP A 32 -12.167 13.210 17.492 1.00 42.94 N +ATOM 244 CE2 TRP A 32 -13.102 13.476 16.526 1.00 50.90 C +ATOM 245 CD2 TRP A 32 -12.713 12.779 15.357 1.00 45.18 C +ATOM 246 CE3 TRP A 32 -13.511 12.888 14.205 1.00 57.47 C +ATOM 247 CZ3 TRP A 32 -14.661 13.689 14.258 1.00 57.42 C +ATOM 248 CH2 TRP A 32 -15.018 14.374 15.442 1.00 59.65 C +ATOM 249 CZ2 TRP A 32 -14.259 14.279 16.579 1.00 59.24 C +ATOM 250 C TRP A 32 -10.719 8.778 14.018 1.00 14.53 C +ATOM 251 O TRP A 32 -11.718 8.434 13.402 1.00 15.15 O +ATOM 252 N LEU A 33 -9.479 8.392 13.685 1.00 14.48 N +ATOM 253 CA LEU A 33 -9.207 7.743 12.393 1.00 13.03 C +ATOM 254 CB LEU A 33 -8.145 8.508 11.654 1.00 11.82 C +ATOM 255 CG LEU A 33 -8.464 9.958 11.289 1.00 15.06 C +ATOM 256 CD1 LEU A 33 -7.269 10.537 10.548 1.00 16.02 C +ATOM 257 CD2 LEU A 33 -9.700 10.059 10.425 1.00 17.26 C +ATOM 258 C LEU A 33 -8.787 6.288 12.460 1.00 12.50 C +ATOM 259 O LEU A 33 -8.604 5.673 11.433 1.00 14.24 O +ATOM 260 N ALA A 34 -8.534 5.762 13.660 1.00 11.25 N +ATOM 261 CA ALA A 34 -8.021 4.404 13.776 1.00 14.07 C +ATOM 262 CB ALA A 34 -7.468 4.123 15.158 1.00 12.90 C +ATOM 263 C ALA A 34 -9.134 3.407 13.437 1.00 10.89 C +ATOM 264 O ALA A 34 -10.314 3.716 13.567 1.00 9.58 O +ATOM 265 N TRP A 35 -8.729 2.233 12.978 1.00 9.03 N +ATOM 266 CA TRP A 35 -9.608 1.061 12.947 1.00 10.73 C +ATOM 267 CB TRP A 35 -8.734 -0.192 12.791 1.00 8.48 C +ATOM 268 CG TRP A 35 -9.532 -1.449 12.446 1.00 8.22 C +ATOM 269 CD1 TRP A 35 -10.184 -2.254 13.323 1.00 7.83 C +ATOM 270 NE1 TRP A 35 -10.734 -3.285 12.672 1.00 7.62 N +ATOM 271 CE2 TRP A 35 -10.501 -3.149 11.330 1.00 7.64 C +ATOM 272 CD2 TRP A 35 -9.720 -2.018 11.160 1.00 7.37 C +ATOM 273 CE3 TRP A 35 -9.316 -1.658 9.860 1.00 9.38 C +ATOM 274 CZ3 TRP A 35 -9.708 -2.476 8.777 1.00 7.84 C +ATOM 275 CH2 TRP A 35 -10.459 -3.623 8.996 1.00 8.57 C +ATOM 276 CZ2 TRP A 35 -10.888 -3.970 10.254 1.00 7.63 C +ATOM 277 C TRP A 35 -10.429 0.956 14.231 1.00 11.27 C +ATOM 278 O TRP A 35 -9.904 1.178 15.313 1.00 9.35 O +ATOM 279 N PRO A 36 -11.730 0.584 14.186 1.00 12.00 N +ATOM 280 CA PRO A 36 -12.555 0.610 15.393 1.00 11.46 C +ATOM 281 CB PRO A 36 -13.848 -0.023 14.948 1.00 11.66 C +ATOM 282 CG PRO A 36 -13.873 0.181 13.474 1.00 13.54 C +ATOM 283 CD PRO A 36 -12.475 0.163 12.993 1.00 13.31 C +ATOM 284 C PRO A 36 -11.919 -0.174 16.508 1.00 11.59 C +ATOM 285 O PRO A 36 -11.621 -1.348 16.353 1.00 10.46 O +ATOM 286 N PHE A 37 -11.709 0.490 17.642 1.00 13.56 N +ATOM 287 CA PHE A 37 -11.047 -0.135 18.780 1.00 14.55 C +ATOM 288 CB PHE A 37 -9.874 0.733 19.285 1.00 13.96 C +ATOM 289 CG PHE A 37 -10.196 2.187 19.366 1.00 11.55 C +ATOM 290 CD2 PHE A 37 -9.920 3.026 18.316 1.00 12.09 C +ATOM 291 CE2 PHE A 37 -10.269 4.375 18.369 1.00 11.27 C +ATOM 292 CZ PHE A 37 -10.846 4.880 19.499 1.00 11.14 C +ATOM 293 CE1 PHE A 37 -11.117 4.042 20.567 1.00 11.63 C +ATOM 294 CD1 PHE A 37 -10.808 2.706 20.488 1.00 12.46 C +ATOM 295 C PHE A 37 -12.058 -0.385 19.865 1.00 13.37 C +ATOM 296 O PHE A 37 -11.730 -0.874 20.912 1.00 14.81 O +ATOM 297 N ASP A 38 -13.317 -0.080 19.576 1.00 17.05 N +ATOM 298 CA ASP A 38 -14.440 -0.339 20.475 1.00 19.15 C +ATOM 299 CB ASP A 38 -14.782 0.943 21.218 1.00 20.34 C +ATOM 300 CG ASP A 38 -15.622 0.687 22.435 1.00 30.28 C +ATOM 301 OD1 ASP A 38 -15.175 -0.114 23.275 1.00 44.07 O +ATOM 302 OD2 ASP A 38 -16.730 1.252 22.547 1.00 34.29 O +ATOM 303 C ASP A 38 -15.632 -0.749 19.616 1.00 15.90 C +ATOM 304 O ASP A 38 -15.806 -0.193 18.530 1.00 16.79 O +ATOM 305 N PRO A 39 -16.519 -1.669 20.078 1.00 20.32 N +ATOM 306 CA PRO A 39 -17.703 -2.053 19.293 1.00 16.16 C +ATOM 307 CB PRO A 39 -18.495 -2.966 20.235 1.00 15.98 C +ATOM 308 CG PRO A 39 -17.547 -3.359 21.311 1.00 18.68 C +ATOM 309 CD PRO A 39 -16.431 -2.373 21.375 1.00 17.52 C +ATOM 310 C PRO A 39 -18.590 -0.890 18.906 1.00 16.16 C +ATOM 311 O PRO A 39 -19.177 -0.896 17.826 1.00 21.77 O +ATOM 312 N THR A 40 -18.680 0.119 19.772 1.00 11.59 N +ATOM 313 CA THR A 40 -19.466 1.277 19.467 1.00 10.55 C +ATOM 314 CB THR A 40 -19.552 2.197 20.674 1.00 11.60 C +ATOM 315 OG1 THR A 40 -18.240 2.608 21.020 1.00 18.55 O +ATOM 316 CG2 THR A 40 -20.139 1.497 21.877 1.00 10.47 C +ATOM 317 C THR A 40 -18.961 2.073 18.240 1.00 12.17 C +ATOM 318 O THR A 40 -19.662 2.965 17.771 1.00 13.12 O +ATOM 319 N LEU A 41 -17.752 1.770 17.737 1.00 10.51 N +ATOM 320 CA LEU A 41 -17.169 2.499 16.607 1.00 11.95 C +ATOM 321 CB LEU A 41 -15.687 2.849 16.871 1.00 14.91 C +ATOM 322 CG LEU A 41 -15.388 3.530 18.256 1.00 17.34 C +ATOM 323 CD1 LEU A 41 -13.924 3.861 18.485 1.00 16.53 C +ATOM 324 CD2 LEU A 41 -16.212 4.793 18.453 1.00 15.46 C +ATOM 325 C LEU A 41 -17.318 1.730 15.295 1.00 12.84 C +ATOM 326 O LEU A 41 -16.887 2.193 14.234 1.00 11.38 O +ATOM 327 N LYS A 42 -17.942 0.548 15.380 1.00 12.67 N +ATOM 328 CA LYS A 42 -18.014 -0.378 14.280 1.00 13.81 C +ATOM 329 CB LYS A 42 -18.664 -1.682 14.747 1.00 16.24 C +ATOM 330 CG LYS A 42 -20.158 -1.585 15.074 1.00 22.83 C +ATOM 331 CD LYS A 42 -20.649 -2.760 15.943 1.00 21.04 C +ATOM 332 CE LYS A 42 -21.816 -2.368 16.845 1.00 23.94 C +ATOM 333 NZ LYS A 42 -21.856 -3.217 18.084 1.00 32.66 N +ATOM 334 C LYS A 42 -18.741 0.239 13.083 1.00 15.51 C +ATOM 335 O LYS A 42 -18.416 -0.084 11.932 1.00 11.66 O +ATOM 336 N PHE A 43 -19.681 1.164 13.347 1.00 17.22 N +ATOM 337 CA PHE A 43 -20.430 1.814 12.262 1.00 20.93 C +ATOM 338 CB PHE A 43 -21.829 2.142 12.752 1.00 22.33 C +ATOM 339 CG PHE A 43 -22.579 0.947 13.299 1.00 20.58 C +ATOM 340 CD1 PHE A 43 -22.980 -0.081 12.452 1.00 20.68 C +ATOM 341 CE1 PHE A 43 -23.686 -1.176 12.929 1.00 24.15 C +ATOM 342 CZ PHE A 43 -24.001 -1.257 14.280 1.00 26.39 C +ATOM 343 CE2 PHE A 43 -23.618 -0.228 15.143 1.00 32.87 C +ATOM 344 CD2 PHE A 43 -22.897 0.862 14.650 1.00 28.63 C +ATOM 345 C PHE A 43 -19.763 3.029 11.574 1.00 27.18 C +ATOM 346 O PHE A 43 -20.221 3.475 10.507 1.00 25.90 O +ATOM 347 N GLU A 44 -18.646 3.498 12.149 1.00 22.49 N +ATOM 348 CA GLU A 44 -17.895 4.648 11.651 1.00 15.89 C +ATOM 349 CB GLU A 44 -17.134 5.288 12.812 1.00 15.72 C +ATOM 350 CG GLU A 44 -18.096 5.891 13.824 1.00 15.25 C +ATOM 351 CD GLU A 44 -17.460 6.557 15.048 1.00 21.01 C +ATOM 352 OE1 GLU A 44 -16.224 6.672 15.191 1.00 16.50 O +ATOM 353 OE2 GLU A 44 -18.231 6.970 15.938 1.00 23.93 O +ATOM 354 C GLU A 44 -17.009 4.171 10.494 1.00 16.81 C +ATOM 355 O GLU A 44 -15.798 3.894 10.665 1.00 11.81 O +ATOM 356 N PHE A 45 -17.636 4.149 9.304 1.00 16.82 N +ATOM 357 CA PHE A 45 -17.180 3.464 8.081 1.00 19.36 C +ATOM 358 CB PHE A 45 -18.198 3.633 6.892 1.00 23.18 C +ATOM 359 CG PHE A 45 -18.453 5.081 6.457 1.00 30.12 C +ATOM 360 CD1 PHE A 45 -19.405 5.870 7.102 1.00 31.35 C +ATOM 361 CE1 PHE A 45 -19.638 7.179 6.702 1.00 34.10 C +ATOM 362 CZ PHE A 45 -18.931 7.717 5.647 1.00 29.11 C +ATOM 363 CE2 PHE A 45 -17.988 6.951 4.990 1.00 29.48 C +ATOM 364 CD2 PHE A 45 -17.758 5.642 5.381 1.00 33.40 C +ATOM 365 C PHE A 45 -15.781 3.828 7.630 1.00 15.69 C +ATOM 366 O PHE A 45 -15.035 2.979 7.132 1.00 15.15 O +ATOM 367 N TRP A 46 -15.444 5.109 7.793 1.00 15.30 N +ATOM 368 CA TRP A 46 -14.157 5.659 7.371 1.00 12.11 C +ATOM 369 CB TRP A 46 -14.116 7.157 7.639 1.00 11.86 C +ATOM 370 CG TRP A 46 -14.116 7.547 9.082 1.00 11.95 C +ATOM 371 CD1 TRP A 46 -13.027 7.675 9.875 1.00 14.46 C +ATOM 372 NE1 TRP A 46 -13.406 8.054 11.143 1.00 13.21 N +ATOM 373 CE2 TRP A 46 -14.761 8.232 11.163 1.00 12.73 C +ATOM 374 CD2 TRP A 46 -15.241 7.932 9.882 1.00 14.22 C +ATOM 375 CE3 TRP A 46 -16.623 8.052 9.635 1.00 19.55 C +ATOM 376 CZ3 TRP A 46 -17.457 8.430 10.684 1.00 16.83 C +ATOM 377 CH2 TRP A 46 -16.934 8.726 11.951 1.00 19.93 C +ATOM 378 CZ2 TRP A 46 -15.598 8.640 12.209 1.00 16.01 C +ATOM 379 C TRP A 46 -12.970 4.942 8.045 1.00 11.22 C +ATOM 380 O TRP A 46 -11.941 4.791 7.444 1.00 12.05 O +ATOM 381 N ARG A 47 -13.133 4.535 9.311 1.00 12.46 N +ATOM 382 CA ARG A 47 -12.068 3.879 10.086 1.00 12.68 C +ATOM 383 CB ARG A 47 -12.610 3.427 11.429 1.00 11.77 C +ATOM 384 CG ARG A 47 -13.019 4.609 12.262 1.00 11.77 C +ATOM 385 CD ARG A 47 -13.546 4.169 13.584 1.00 12.31 C +ATOM 386 NE ARG A 47 -13.907 5.288 14.429 1.00 14.80 N +ATOM 387 CZ ARG A 47 -13.074 5.958 15.235 1.00 17.44 C +ATOM 388 NH1 ARG A 47 -11.796 5.616 15.362 1.00 16.23 N +ATOM 389 NH2 ARG A 47 -13.536 6.951 15.980 1.00 14.30 N +ATOM 390 C ARG A 47 -11.411 2.675 9.385 1.00 12.29 C +ATOM 391 O ARG A 47 -10.258 2.348 9.661 1.00 9.14 O +ATOM 392 N TYR A 48 -12.151 2.009 8.487 1.00 10.04 N +ATOM 393 CA TYR A 48 -11.655 0.785 7.875 1.00 10.43 C +ATOM 394 CB TYR A 48 -12.843 -0.073 7.315 1.00 10.84 C +ATOM 395 CG TYR A 48 -13.808 -0.516 8.401 1.00 7.71 C +ATOM 396 CD1 TYR A 48 -13.446 -1.505 9.307 1.00 7.71 C +ATOM 397 CE1 TYR A 48 -14.292 -1.929 10.306 1.00 6.25 C +ATOM 398 CZ TYR A 48 -15.531 -1.366 10.422 1.00 6.42 C +ATOM 399 OH TYR A 48 -16.383 -1.816 11.433 1.00 6.77 O +ATOM 400 CE2 TYR A 48 -15.936 -0.400 9.532 1.00 6.94 C +ATOM 401 CD2 TYR A 48 -15.081 0.025 8.526 1.00 8.10 C +ATOM 402 C TYR A 48 -10.631 1.132 6.824 1.00 10.47 C +ATOM 403 O TYR A 48 -9.883 0.262 6.357 1.00 9.93 O +ATOM 404 N PHE A 49 -10.562 2.427 6.507 1.00 10.22 N +ATOM 405 CA PHE A 49 -9.627 3.005 5.529 1.00 13.54 C +ATOM 406 CB PHE A 49 -10.430 3.625 4.364 1.00 13.65 C +ATOM 407 CG PHE A 49 -11.432 2.646 3.769 1.00 10.24 C +ATOM 408 CD1 PHE A 49 -11.060 1.783 2.751 1.00 11.08 C +ATOM 409 CE1 PHE A 49 -11.941 0.853 2.236 1.00 9.94 C +ATOM 410 CZ PHE A 49 -13.214 0.800 2.755 1.00 10.35 C +ATOM 411 CE2 PHE A 49 -13.575 1.637 3.790 1.00 10.99 C +ATOM 412 CD2 PHE A 49 -12.682 2.547 4.283 1.00 9.51 C +ATOM 413 C PHE A 49 -8.636 4.048 6.092 1.00 11.86 C +ATOM 414 O PHE A 49 -7.472 4.076 5.702 1.00 11.51 O +ATOM 415 N THR A 50 -9.094 4.877 7.022 1.00 12.55 N +ATOM 416 CA THR A 50 -8.330 6.038 7.399 1.00 14.45 C +ATOM 417 CB THR A 50 -9.195 7.083 8.061 1.00 15.19 C +ATOM 418 OG1 THR A 50 -9.856 6.486 9.167 1.00 14.97 O +ATOM 419 CG2 THR A 50 -10.191 7.724 7.033 1.00 15.23 C +ATOM 420 C THR A 50 -7.117 5.750 8.331 1.00 14.00 C +ATOM 421 O THR A 50 -6.277 6.620 8.499 1.00 13.59 O +ATOM 422 N HIS A 51 -7.009 4.518 8.862 1.00 12.10 N +ATOM 423 CA HIS A 51 -5.779 4.027 9.474 1.00 11.62 C +ATOM 424 CB HIS A 51 -5.928 2.564 9.906 1.00 13.56 C +ATOM 425 CG HIS A 51 -6.211 1.632 8.762 1.00 12.87 C +ATOM 426 ND1 HIS A 51 -5.218 1.159 7.929 1.00 8.49 N +ATOM 427 CE1 HIS A 51 -5.772 0.413 6.984 1.00 12.06 C +ATOM 428 NE2 HIS A 51 -7.090 0.399 7.164 1.00 12.69 N +ATOM 429 CD2 HIS A 51 -7.389 1.174 8.258 1.00 9.97 C +ATOM 430 C HIS A 51 -4.542 4.227 8.517 1.00 12.16 C +ATOM 431 O HIS A 51 -3.397 4.531 8.956 1.00 11.44 O +ATOM 432 N ALA A 52 -4.781 4.149 7.210 1.00 10.69 N +ATOM 433 CA ALA A 52 -3.718 4.327 6.223 1.00 11.23 C +ATOM 434 CB ALA A 52 -4.146 3.798 4.865 1.00 13.23 C +ATOM 435 C ALA A 52 -3.122 5.746 6.067 1.00 9.35 C +ATOM 436 O ALA A 52 -2.003 5.887 5.536 1.00 9.41 O +ATOM 437 N LEU A 53 -3.817 6.741 6.610 1.00 9.87 N +ATOM 438 CA LEU A 53 -3.479 8.185 6.490 1.00 12.33 C +ATOM 439 CB LEU A 53 -4.746 9.030 6.430 1.00 11.52 C +ATOM 440 CG LEU A 53 -5.661 8.719 5.228 1.00 16.11 C +ATOM 441 CD1 LEU A 53 -6.846 9.663 5.239 1.00 15.54 C +ATOM 442 CD2 LEU A 53 -4.939 8.846 3.884 1.00 16.40 C +ATOM 443 C LEU A 53 -2.621 8.733 7.621 1.00 13.74 C +ATOM 444 O LEU A 53 -2.185 9.864 7.550 1.00 16.46 O +ATOM 445 N MET A 54 -2.398 7.915 8.668 1.00 14.40 N +ATOM 446 CA MET A 54 -1.666 8.322 9.868 1.00 10.98 C +ATOM 447 CB MET A 54 -2.358 7.720 11.073 1.00 10.55 C +ATOM 448 CG MET A 54 -3.609 8.447 11.441 1.00 13.54 C +ATOM 449 SD MET A 54 -4.380 7.850 12.945 1.00 10.40 S +ATOM 450 CE MET A 54 -5.011 6.298 12.258 1.00 9.03 C +ATOM 451 C MET A 54 -0.230 7.769 9.810 1.00 12.18 C +ATOM 452 O MET A 54 -0.006 6.604 9.477 1.00 12.58 O +ATOM 453 N HIS A 55 0.747 8.622 10.123 1.00 12.28 N +ATOM 454 CA HIS A 55 2.098 8.199 10.300 1.00 11.39 C +ATOM 455 CB HIS A 55 2.963 8.692 9.149 1.00 11.48 C +ATOM 456 CG HIS A 55 2.541 8.153 7.834 1.00 12.61 C +ATOM 457 ND1 HIS A 55 1.594 8.779 7.040 1.00 13.59 N +ATOM 458 CE1 HIS A 55 1.408 8.067 5.949 1.00 14.30 C +ATOM 459 NE2 HIS A 55 2.173 6.989 6.013 1.00 12.53 N +ATOM 460 CD2 HIS A 55 2.892 7.019 7.187 1.00 14.17 C +ATOM 461 C HIS A 55 2.668 8.620 11.643 1.00 11.45 C +ATOM 462 O HIS A 55 2.372 9.663 12.132 1.00 13.10 O +ATOM 463 N PHE A 56 3.542 7.778 12.200 1.00 10.11 N +ATOM 464 CA PHE A 56 4.119 7.993 13.534 1.00 9.89 C +ATOM 465 CB PHE A 56 4.072 6.683 14.317 1.00 10.76 C +ATOM 466 CG PHE A 56 2.704 6.090 14.346 1.00 13.55 C +ATOM 467 CD1 PHE A 56 1.649 6.800 14.954 1.00 14.41 C +ATOM 468 CE1 PHE A 56 0.351 6.285 14.966 1.00 21.55 C +ATOM 469 CZ PHE A 56 0.094 5.054 14.376 1.00 23.29 C +ATOM 470 CE2 PHE A 56 1.143 4.319 13.815 1.00 17.99 C +ATOM 471 CD2 PHE A 56 2.442 4.853 13.784 1.00 17.37 C +ATOM 472 C PHE A 56 5.496 8.531 13.540 1.00 8.06 C +ATOM 473 O PHE A 56 5.979 8.913 14.568 1.00 11.21 O +ATOM 474 N SER A 57 6.130 8.577 12.377 1.00 9.25 N +ATOM 475 CA SER A 57 7.450 9.092 12.237 1.00 12.25 C +ATOM 476 CB SER A 57 8.495 7.974 12.437 1.00 12.81 C +ATOM 477 OG SER A 57 8.674 7.232 11.239 1.00 15.25 O +ATOM 478 C SER A 57 7.629 9.762 10.855 1.00 12.91 C +ATOM 479 O SER A 57 7.036 9.361 9.859 1.00 14.35 O +ATOM 480 N LEU A 58 8.488 10.781 10.855 1.00 10.97 N +ATOM 481 CA LEU A 58 8.909 11.546 9.726 1.00 11.43 C +ATOM 482 CB LEU A 58 9.937 12.561 10.252 1.00 12.33 C +ATOM 483 CG LEU A 58 10.616 13.402 9.211 1.00 12.79 C +ATOM 484 CD1 LEU A 58 9.518 14.044 8.369 1.00 11.89 C +ATOM 485 CD2 LEU A 58 11.512 14.443 9.893 1.00 14.25 C +ATOM 486 C LEU A 58 9.554 10.675 8.655 1.00 13.71 C +ATOM 487 O LEU A 58 9.298 10.807 7.450 1.00 11.94 O +ATOM 488 N MET A 59 10.419 9.768 9.104 1.00 16.33 N +ATOM 489 CA MET A 59 11.136 8.885 8.192 1.00 18.57 C +ATOM 490 CB MET A 59 12.197 8.124 9.000 1.00 23.05 C +ATOM 491 CG MET A 59 12.530 6.728 8.541 1.00 26.57 C +ATOM 492 SD MET A 59 14.314 6.470 8.632 1.00 22.79 S +ATOM 493 CE MET A 59 14.282 4.787 8.025 1.00 24.88 C +ATOM 494 C MET A 59 10.119 8.039 7.381 1.00 17.18 C +ATOM 495 O MET A 59 10.223 7.981 6.157 1.00 14.21 O +ATOM 496 N HIS A 60 9.085 7.508 8.057 1.00 14.12 N +ATOM 497 CA HIS A 60 8.094 6.646 7.429 1.00 16.07 C +ATOM 498 CB HIS A 60 7.398 5.817 8.488 1.00 22.58 C +ATOM 499 CG HIS A 60 8.277 4.741 9.044 1.00 33.20 C +ATOM 500 ND1 HIS A 60 7.844 3.794 9.948 1.00 45.90 N +ATOM 501 CE1 HIS A 60 8.846 2.980 10.233 1.00 78.09 C +ATOM 502 NE2 HIS A 60 9.910 3.359 9.543 1.00 53.30 N +ATOM 503 CD2 HIS A 60 9.572 4.447 8.784 1.00 50.39 C +ATOM 504 C HIS A 60 7.108 7.372 6.500 1.00 12.01 C +ATOM 505 O HIS A 60 6.807 6.860 5.407 1.00 10.26 O +ATOM 506 N ILE A 61 6.662 8.574 6.886 1.00 8.67 N +ATOM 507 CA ILE A 61 5.849 9.351 5.986 1.00 8.62 C +ATOM 508 CB ILE A 61 5.143 10.538 6.636 1.00 7.58 C +ATOM 509 CG1 ILE A 61 4.063 11.076 5.668 1.00 8.87 C +ATOM 510 CD1 ILE A 61 3.223 12.207 6.229 1.00 7.23 C +ATOM 511 CG2 ILE A 61 6.097 11.628 7.040 1.00 8.93 C +ATOM 512 C ILE A 61 6.610 9.663 4.707 1.00 8.60 C +ATOM 513 O ILE A 61 6.082 9.534 3.612 1.00 8.64 O +ATOM 514 N LEU A 62 7.881 10.006 4.833 1.00 12.67 N +ATOM 515 CA LEU A 62 8.691 10.397 3.681 1.00 13.90 C +ATOM 516 CB LEU A 62 10.006 11.035 4.108 1.00 18.30 C +ATOM 517 CG LEU A 62 9.876 12.480 4.639 1.00 22.68 C +ATOM 518 CD1 LEU A 62 11.126 12.905 5.422 1.00 23.25 C +ATOM 519 CD2 LEU A 62 9.618 13.462 3.503 1.00 22.18 C +ATOM 520 C LEU A 62 8.924 9.241 2.746 1.00 10.78 C +ATOM 521 O LEU A 62 8.695 9.359 1.562 1.00 8.81 O +ATOM 522 N PHE A 63 9.340 8.095 3.281 1.00 12.10 N +ATOM 523 CA PHE A 63 9.540 6.915 2.424 1.00 11.47 C +ATOM 524 CB PHE A 63 10.322 5.801 3.128 1.00 13.80 C +ATOM 525 CG PHE A 63 11.795 6.072 3.123 1.00 23.84 C +ATOM 526 CD1 PHE A 63 12.510 6.001 1.916 1.00 33.75 C +ATOM 527 CE1 PHE A 63 13.857 6.319 1.856 1.00 29.98 C +ATOM 528 CZ PHE A 63 14.501 6.741 2.994 1.00 27.25 C +ATOM 529 CE2 PHE A 63 13.813 6.841 4.182 1.00 23.24 C +ATOM 530 CD2 PHE A 63 12.455 6.526 4.251 1.00 23.06 C +ATOM 531 C PHE A 63 8.227 6.415 1.818 1.00 9.46 C +ATOM 532 O PHE A 63 8.208 6.121 0.633 1.00 9.63 O +ATOM 533 N ASN A 64 7.165 6.305 2.631 1.00 8.67 N +ATOM 534 CA ASN A 64 5.841 5.827 2.188 1.00 9.14 C +ATOM 535 CB ASN A 64 4.776 5.766 3.335 1.00 11.48 C +ATOM 536 CG ASN A 64 5.036 4.662 4.372 1.00 11.60 C +ATOM 537 OD1 ASN A 64 4.414 4.538 5.512 1.00 17.42 O +ATOM 538 ND2 ASN A 64 5.981 3.843 3.992 1.00 12.68 N +ATOM 539 C ASN A 64 5.387 6.754 1.024 1.00 8.26 C +ATOM 540 O ASN A 64 4.959 6.304 -0.027 1.00 10.86 O +ATOM 541 N LEU A 65 5.528 8.065 1.189 1.00 8.25 N +ATOM 542 CA LEU A 65 5.031 8.970 0.175 1.00 7.48 C +ATOM 543 CB LEU A 65 4.737 10.353 0.711 1.00 6.64 C +ATOM 544 CG LEU A 65 3.526 10.527 1.620 1.00 6.96 C +ATOM 545 CD1 LEU A 65 3.254 11.976 1.945 1.00 6.37 C +ATOM 546 CD2 LEU A 65 2.236 9.992 1.073 1.00 8.07 C +ATOM 547 C LEU A 65 5.876 8.980 -1.060 1.00 8.20 C +ATOM 548 O LEU A 65 5.352 9.267 -2.139 1.00 10.57 O +ATOM 549 N LEU A 66 7.176 8.695 -0.913 1.00 9.34 N +ATOM 550 CA LEU A 66 8.099 8.651 -2.032 1.00 11.79 C +ATOM 551 CB LEU A 66 9.539 8.411 -1.525 1.00 16.80 C +ATOM 552 CG LEU A 66 10.587 8.319 -2.661 1.00 26.77 C +ATOM 553 CD1 LEU A 66 10.745 9.659 -3.393 1.00 25.49 C +ATOM 554 CD2 LEU A 66 11.937 7.756 -2.175 1.00 27.68 C +ATOM 555 C LEU A 66 7.682 7.514 -2.965 1.00 10.64 C +ATOM 556 O LEU A 66 7.540 7.699 -4.187 1.00 15.70 O +ATOM 557 N TRP A 67 7.507 6.334 -2.371 1.00 9.19 N +ATOM 558 CA TRP A 67 7.064 5.126 -3.051 1.00 11.28 C +ATOM 559 CB TRP A 67 7.060 3.938 -2.075 1.00 13.34 C +ATOM 560 CG TRP A 67 8.401 3.304 -1.844 1.00 19.06 C +ATOM 561 CD1 TRP A 67 9.056 3.169 -0.643 1.00 22.33 C +ATOM 562 NE1 TRP A 67 10.218 2.480 -0.809 1.00 19.58 N +ATOM 563 CE2 TRP A 67 10.364 2.159 -2.134 1.00 18.03 C +ATOM 564 CD2 TRP A 67 9.213 2.646 -2.818 1.00 17.86 C +ATOM 565 CE3 TRP A 67 9.070 2.401 -4.187 1.00 14.96 C +ATOM 566 CZ3 TRP A 67 10.065 1.722 -4.840 1.00 19.37 C +ATOM 567 CH2 TRP A 67 11.227 1.240 -4.124 1.00 21.11 C +ATOM 568 CZ2 TRP A 67 11.378 1.447 -2.777 1.00 14.32 C +ATOM 569 C TRP A 67 5.669 5.251 -3.644 1.00 8.88 C +ATOM 570 O TRP A 67 5.460 4.849 -4.765 1.00 8.19 O +ATOM 571 N TRP A 68 4.720 5.775 -2.849 1.00 10.01 N +ATOM 572 CA TRP A 68 3.364 6.110 -3.311 1.00 10.75 C +ATOM 573 CB TRP A 68 2.521 6.732 -2.180 1.00 12.22 C +ATOM 574 CG TRP A 68 1.275 7.416 -2.701 1.00 10.28 C +ATOM 575 CD1 TRP A 68 1.139 8.743 -3.027 1.00 10.20 C +ATOM 576 NE1 TRP A 68 -0.111 8.986 -3.488 1.00 12.09 N +ATOM 577 CE2 TRP A 68 -0.821 7.824 -3.499 1.00 10.02 C +ATOM 578 CD2 TRP A 68 0.034 6.808 -2.981 1.00 9.02 C +ATOM 579 CE3 TRP A 68 -0.449 5.502 -2.863 1.00 9.05 C +ATOM 580 CZ3 TRP A 68 -1.800 5.242 -3.239 1.00 10.67 C +ATOM 581 CH2 TRP A 68 -2.640 6.298 -3.731 1.00 10.46 C +ATOM 582 CZ2 TRP A 68 -2.159 7.581 -3.890 1.00 10.72 C +ATOM 583 C TRP A 68 3.424 7.060 -4.520 1.00 12.58 C +ATOM 584 O TRP A 68 2.782 6.803 -5.552 1.00 12.72 O +ATOM 585 N TRP A 69 4.230 8.124 -4.419 1.00 9.65 N +ATOM 586 CA TRP A 69 4.337 9.066 -5.507 1.00 11.78 C +ATOM 587 CB TRP A 69 5.235 10.258 -5.095 1.00 14.65 C +ATOM 588 CG TRP A 69 5.481 11.368 -6.147 1.00 18.59 C +ATOM 589 CD1 TRP A 69 4.556 11.972 -6.940 1.00 24.42 C +ATOM 590 NE1 TRP A 69 5.144 12.918 -7.738 1.00 20.97 N +ATOM 591 CE2 TRP A 69 6.478 12.944 -7.476 1.00 26.76 C +ATOM 592 CD2 TRP A 69 6.727 11.978 -6.467 1.00 26.95 C +ATOM 593 CE3 TRP A 69 8.032 11.845 -5.968 1.00 44.22 C +ATOM 594 CZ3 TRP A 69 9.048 12.671 -6.502 1.00 53.68 C +ATOM 595 CH2 TRP A 69 8.757 13.612 -7.515 1.00 49.15 C +ATOM 596 CZ2 TRP A 69 7.483 13.763 -8.004 1.00 36.39 C +ATOM 597 C TRP A 69 4.861 8.380 -6.792 1.00 10.65 C +ATOM 598 O TRP A 69 4.351 8.616 -7.887 1.00 7.41 O +ATOM 599 N TYR A 70 5.898 7.555 -6.640 1.00 9.26 N +ATOM 600 CA TYR A 70 6.473 6.855 -7.785 1.00 10.38 C +ATOM 601 CB TYR A 70 7.855 6.275 -7.439 1.00 11.80 C +ATOM 602 CG TYR A 70 8.629 5.780 -8.636 1.00 14.20 C +ATOM 603 CD1 TYR A 70 9.215 6.663 -9.539 1.00 18.79 C +ATOM 604 CE1 TYR A 70 9.911 6.200 -10.660 1.00 19.00 C +ATOM 605 CZ TYR A 70 9.995 4.832 -10.890 1.00 21.71 C +ATOM 606 OH TYR A 70 10.688 4.307 -11.969 1.00 30.85 O +ATOM 607 CE2 TYR A 70 9.401 3.948 -10.015 1.00 22.83 C +ATOM 608 CD2 TYR A 70 8.731 4.425 -8.894 1.00 19.10 C +ATOM 609 C TYR A 70 5.581 5.747 -8.369 1.00 8.62 C +ATOM 610 O TYR A 70 5.333 5.707 -9.567 1.00 8.15 O +ATOM 611 N LEU A 71 5.130 4.819 -7.529 1.00 8.22 N +ATOM 612 CA LEU A 71 4.427 3.664 -8.031 1.00 8.75 C +ATOM 613 CB LEU A 71 4.519 2.497 -7.073 1.00 10.19 C +ATOM 614 CG LEU A 71 5.892 1.943 -6.730 1.00 10.00 C +ATOM 615 CD1 LEU A 71 5.723 0.836 -5.745 1.00 10.46 C +ATOM 616 CD2 LEU A 71 6.572 1.371 -7.958 1.00 13.03 C +ATOM 617 C LEU A 71 2.975 4.022 -8.242 1.00 9.72 C +ATOM 618 O LEU A 71 2.424 3.776 -9.320 1.00 10.90 O +ATOM 619 N GLY A 72 2.373 4.629 -7.211 1.00 10.28 N +ATOM 620 CA GLY A 72 1.069 5.279 -7.319 1.00 10.65 C +ATOM 621 C GLY A 72 0.968 6.082 -8.591 1.00 9.77 C +ATOM 622 O GLY A 72 0.097 5.859 -9.364 1.00 10.46 O +ATOM 623 N GLY A 73 1.899 7.007 -8.815 1.00 10.80 N +ATOM 624 CA GLY A 73 1.838 7.916 -9.956 1.00 9.84 C +ATOM 625 C GLY A 73 1.960 7.210 -11.308 1.00 9.93 C +ATOM 626 O GLY A 73 1.306 7.569 -12.302 1.00 9.02 O +ATOM 627 N ALA A 74 2.803 6.180 -11.353 1.00 10.45 N +ATOM 628 CA ALA A 74 2.927 5.352 -12.548 1.00 10.89 C +ATOM 629 CB ALA A 74 4.036 4.315 -12.354 1.00 10.75 C +ATOM 630 C ALA A 74 1.566 4.665 -12.842 1.00 8.90 C +ATOM 631 O ALA A 74 1.028 4.766 -13.923 1.00 9.49 O +ATOM 632 N VAL A 75 0.999 4.007 -11.835 1.00 8.02 N +ATOM 633 CA VAL A 75 -0.257 3.331 -12.027 1.00 9.54 C +ATOM 634 CB VAL A 75 -0.731 2.615 -10.760 1.00 8.90 C +ATOM 635 CG1 VAL A 75 -2.154 2.091 -10.937 1.00 10.78 C +ATOM 636 CG2 VAL A 75 0.208 1.468 -10.459 1.00 8.31 C +ATOM 637 C VAL A 75 -1.330 4.262 -12.587 1.00 8.80 C +ATOM 638 O VAL A 75 -1.959 3.937 -13.556 1.00 10.62 O +ATOM 639 N GLU A 76 -1.542 5.405 -11.952 1.00 9.32 N +ATOM 640 CA GLU A 76 -2.534 6.385 -12.402 1.00 11.38 C +ATOM 641 CB GLU A 76 -2.570 7.617 -11.488 1.00 13.00 C +ATOM 642 CG GLU A 76 -3.625 8.684 -11.800 1.00 11.01 C +ATOM 643 CD GLU A 76 -3.959 9.500 -10.562 1.00 12.62 C +ATOM 644 OE1 GLU A 76 -3.100 9.679 -9.654 1.00 12.49 O +ATOM 645 OE2 GLU A 76 -5.106 9.971 -10.473 1.00 16.29 O +ATOM 646 C GLU A 76 -2.279 6.826 -13.813 1.00 13.17 C +ATOM 647 O GLU A 76 -3.212 6.875 -14.620 1.00 14.71 O +ATOM 648 N LYS A 77 -1.023 7.149 -14.125 1.00 13.53 N +ATOM 649 CA LYS A 77 -0.691 7.631 -15.450 1.00 16.95 C +ATOM 650 CB LYS A 77 0.772 8.113 -15.524 1.00 24.89 C +ATOM 651 CG LYS A 77 1.123 9.035 -16.697 1.00 29.96 C +ATOM 652 CD LYS A 77 0.318 10.360 -16.756 1.00 48.81 C +ATOM 653 CE LYS A 77 0.264 11.189 -15.448 1.00 51.17 C +ATOM 654 NZ LYS A 77 -1.040 11.158 -14.674 1.00 41.66 N +ATOM 655 C LYS A 77 -0.950 6.572 -16.521 1.00 13.69 C +ATOM 656 O LYS A 77 -1.494 6.879 -17.552 1.00 11.09 O +ATOM 657 N ARG A 78 -0.548 5.324 -16.285 1.00 13.15 N +ATOM 658 CA ARG A 78 -0.612 4.350 -17.369 1.00 17.21 C +ATOM 659 CB ARG A 78 0.569 3.378 -17.365 1.00 26.03 C +ATOM 660 CG ARG A 78 1.913 3.942 -16.907 1.00 42.52 C +ATOM 661 CD ARG A 78 2.808 4.626 -17.945 1.00 53.37 C +ATOM 662 NE ARG A 78 3.687 5.628 -17.278 1.00 85.31 N +ATOM 663 CZ ARG A 78 4.726 5.370 -16.459 1.00 75.86 C +ATOM 664 NH1 ARG A 78 5.102 4.121 -16.173 1.00 81.51 N +ATOM 665 NH2 ARG A 78 5.405 6.379 -15.905 1.00 57.06 N +ATOM 666 C ARG A 78 -1.944 3.593 -17.429 1.00 12.62 C +ATOM 667 O ARG A 78 -2.380 3.237 -18.512 1.00 12.21 O +ATOM 668 N LEU A 79 -2.565 3.356 -16.265 1.00 10.41 N +ATOM 669 CA LEU A 79 -3.772 2.528 -16.104 1.00 8.22 C +ATOM 670 CB LEU A 79 -3.520 1.406 -15.068 1.00 8.17 C +ATOM 671 CG LEU A 79 -2.238 0.614 -15.313 1.00 8.98 C +ATOM 672 CD1 LEU A 79 -1.982 -0.564 -14.362 1.00 8.36 C +ATOM 673 CD2 LEU A 79 -2.283 0.107 -16.752 1.00 9.32 C +ATOM 674 C LEU A 79 -5.005 3.327 -15.682 1.00 6.91 C +ATOM 675 O LEU A 79 -6.127 2.831 -15.754 1.00 8.56 O +ATOM 676 N GLY A 80 -4.815 4.560 -15.219 1.00 5.95 N +ATOM 677 CA GLY A 80 -5.916 5.393 -14.797 1.00 5.85 C +ATOM 678 C GLY A 80 -6.069 5.570 -13.281 1.00 6.74 C +ATOM 679 O GLY A 80 -5.678 4.723 -12.481 1.00 6.31 O +ATOM 680 N SER A 81 -6.731 6.676 -12.933 1.00 6.52 N +ATOM 681 CA SER A 81 -7.166 7.017 -11.624 1.00 7.29 C +ATOM 682 CB SER A 81 -7.983 8.309 -11.714 1.00 6.49 C +ATOM 683 OG SER A 81 -7.108 9.389 -11.940 1.00 7.34 O +ATOM 684 C SER A 81 -7.967 5.938 -10.917 1.00 7.07 C +ATOM 685 O SER A 81 -7.704 5.631 -9.706 1.00 7.73 O +ATOM 686 N GLY A 82 -8.916 5.346 -11.644 1.00 6.35 N +ATOM 687 CA GLY A 82 -9.774 4.307 -11.103 1.00 6.26 C +ATOM 688 C GLY A 82 -9.017 3.094 -10.559 1.00 6.75 C +ATOM 689 O GLY A 82 -9.344 2.541 -9.500 1.00 7.96 O +ATOM 690 N LYS A 83 -8.012 2.659 -11.315 1.00 6.78 N +ATOM 691 CA LYS A 83 -7.228 1.523 -10.985 1.00 7.45 C +ATOM 692 CB LYS A 83 -6.236 1.280 -12.121 1.00 10.15 C +ATOM 693 CG LYS A 83 -5.312 0.087 -11.864 1.00 13.46 C +ATOM 694 CD LYS A 83 -6.051 -1.227 -11.772 1.00 15.35 C +ATOM 695 CE LYS A 83 -6.484 -1.684 -13.161 1.00 13.83 C +ATOM 696 NZ LYS A 83 -7.079 -3.019 -12.976 1.00 17.70 N +ATOM 697 C LYS A 83 -6.484 1.815 -9.666 1.00 7.49 C +ATOM 698 O LYS A 83 -6.444 0.988 -8.771 1.00 6.49 O +ATOM 699 N LEU A 84 -5.920 3.022 -9.546 1.00 7.56 N +ATOM 700 CA LEU A 84 -5.195 3.407 -8.334 1.00 8.80 C +ATOM 701 CB LEU A 84 -4.518 4.767 -8.469 1.00 8.75 C +ATOM 702 CG LEU A 84 -3.633 5.178 -7.271 1.00 9.25 C +ATOM 703 CD1 LEU A 84 -2.666 4.084 -6.881 1.00 11.42 C +ATOM 704 CD2 LEU A 84 -2.867 6.467 -7.571 1.00 8.81 C +ATOM 705 C LEU A 84 -6.144 3.441 -7.155 1.00 9.07 C +ATOM 706 O LEU A 84 -5.798 2.966 -6.092 1.00 7.30 O +ATOM 707 N ILE A 85 -7.346 4.006 -7.369 1.00 8.25 N +ATOM 708 CA ILE A 85 -8.386 3.994 -6.336 1.00 8.61 C +ATOM 709 CB ILE A 85 -9.664 4.685 -6.826 1.00 9.61 C +ATOM 710 CG1 ILE A 85 -9.420 6.201 -6.885 1.00 10.88 C +ATOM 711 CD1 ILE A 85 -10.451 6.950 -7.716 1.00 13.48 C +ATOM 712 CG2 ILE A 85 -10.873 4.386 -5.911 1.00 9.42 C +ATOM 713 C ILE A 85 -8.700 2.604 -5.766 1.00 7.41 C +ATOM 714 O ILE A 85 -8.708 2.427 -4.542 1.00 8.94 O +ATOM 715 N VAL A 86 -8.944 1.625 -6.642 1.00 6.37 N +ATOM 716 CA VAL A 86 -9.350 0.301 -6.188 1.00 6.19 C +ATOM 717 CB VAL A 86 -9.877 -0.556 -7.378 1.00 5.97 C +ATOM 718 CG1 VAL A 86 -10.573 -1.827 -6.883 1.00 5.42 C +ATOM 719 CG2 VAL A 86 -10.771 0.272 -8.291 1.00 5.92 C +ATOM 720 C VAL A 86 -8.211 -0.453 -5.526 1.00 7.25 C +ATOM 721 O VAL A 86 -8.402 -1.062 -4.491 1.00 7.60 O +ATOM 722 N ILE A 87 -7.013 -0.407 -6.121 1.00 8.21 N +ATOM 723 CA ILE A 87 -5.834 -0.934 -5.428 1.00 9.69 C +ATOM 724 CB ILE A 87 -4.572 -0.636 -6.197 1.00 10.87 C +ATOM 725 CG1 ILE A 87 -4.566 -1.446 -7.467 1.00 10.95 C +ATOM 726 CD1 ILE A 87 -3.393 -1.087 -8.373 1.00 11.24 C +ATOM 727 CG2 ILE A 87 -3.337 -0.963 -5.349 1.00 14.74 C +ATOM 728 C ILE A 87 -5.713 -0.384 -4.003 1.00 8.23 C +ATOM 729 O ILE A 87 -5.573 -1.103 -3.012 1.00 8.72 O +ATOM 730 N THR A 88 -5.846 0.924 -3.904 1.00 10.12 N +ATOM 731 CA THR A 88 -5.744 1.616 -2.627 1.00 9.66 C +ATOM 732 CB THR A 88 -5.782 3.135 -2.820 1.00 8.86 C +ATOM 733 OG1 THR A 88 -4.713 3.534 -3.666 1.00 8.21 O +ATOM 734 CG2 THR A 88 -5.661 3.870 -1.458 1.00 9.41 C +ATOM 735 C THR A 88 -6.850 1.185 -1.663 1.00 10.56 C +ATOM 736 O THR A 88 -6.545 0.917 -0.528 1.00 9.67 O +ATOM 737 N LEU A 89 -8.125 1.154 -2.113 1.00 9.79 N +ATOM 738 CA LEU A 89 -9.231 0.758 -1.219 1.00 9.43 C +ATOM 739 CB LEU A 89 -10.611 0.882 -1.868 1.00 10.49 C +ATOM 740 CG LEU A 89 -11.021 2.316 -2.222 1.00 13.29 C +ATOM 741 CD1 LEU A 89 -12.374 2.304 -2.905 1.00 12.80 C +ATOM 742 CD2 LEU A 89 -11.036 3.253 -1.008 1.00 15.37 C +ATOM 743 C LEU A 89 -9.087 -0.650 -0.696 1.00 10.23 C +ATOM 744 O LEU A 89 -9.369 -0.920 0.481 1.00 16.46 O +ATOM 745 N ILE A 90 -8.712 -1.568 -1.591 1.00 9.43 N +ATOM 746 CA ILE A 90 -8.711 -2.980 -1.307 1.00 10.41 C +ATOM 747 CB ILE A 90 -8.637 -3.829 -2.621 1.00 10.97 C +ATOM 748 CG1 ILE A 90 -9.932 -3.722 -3.437 1.00 10.17 C +ATOM 749 CD1 ILE A 90 -9.913 -4.522 -4.756 1.00 11.35 C +ATOM 750 CG2 ILE A 90 -8.453 -5.299 -2.254 1.00 13.93 C +ATOM 751 C ILE A 90 -7.506 -3.245 -0.406 1.00 10.30 C +ATOM 752 O ILE A 90 -7.598 -3.961 0.567 1.00 11.27 O +ATOM 753 N SER A 91 -6.362 -2.693 -0.775 1.00 9.52 N +ATOM 754 CA SER A 91 -5.165 -2.884 0.046 1.00 14.52 C +ATOM 755 CB SER A 91 -3.895 -2.372 -0.636 1.00 13.25 C +ATOM 756 OG SER A 91 -3.915 -0.995 -0.810 1.00 12.23 O +ATOM 757 C SER A 91 -5.336 -2.289 1.477 1.00 10.37 C +ATOM 758 O SER A 91 -4.976 -2.943 2.453 1.00 9.69 O +ATOM 759 N ALA A 92 -5.922 -1.094 1.572 1.00 9.09 N +ATOM 760 CA ALA A 92 -6.158 -0.463 2.875 1.00 9.92 C +ATOM 761 CB ALA A 92 -6.701 0.950 2.754 1.00 9.81 C +ATOM 762 C ALA A 92 -7.060 -1.288 3.740 1.00 9.21 C +ATOM 763 O ALA A 92 -6.823 -1.455 4.911 1.00 11.95 O +ATOM 764 N LEU A 93 -8.139 -1.804 3.157 1.00 12.58 N +ATOM 765 CA LEU A 93 -9.130 -2.540 3.916 1.00 11.15 C +ATOM 766 CB LEU A 93 -10.325 -2.762 3.021 1.00 13.97 C +ATOM 767 CG LEU A 93 -11.521 -3.362 3.641 1.00 15.28 C +ATOM 768 CD1 LEU A 93 -12.057 -2.526 4.795 1.00 14.89 C +ATOM 769 CD2 LEU A 93 -12.540 -3.524 2.505 1.00 18.93 C +ATOM 770 C LEU A 93 -8.587 -3.883 4.370 1.00 9.22 C +ATOM 771 O LEU A 93 -8.762 -4.275 5.538 1.00 9.53 O +ATOM 772 N LEU A 94 -7.966 -4.610 3.431 1.00 8.54 N +ATOM 773 CA LEU A 94 -7.517 -5.966 3.714 1.00 10.77 C +ATOM 774 CB LEU A 94 -7.195 -6.752 2.432 1.00 9.48 C +ATOM 775 CG LEU A 94 -8.393 -7.468 1.809 1.00 8.72 C +ATOM 776 CD1 LEU A 94 -9.393 -6.499 1.237 1.00 8.52 C +ATOM 777 CD2 LEU A 94 -7.954 -8.399 0.706 1.00 9.47 C +ATOM 778 C LEU A 94 -6.316 -5.928 4.667 1.00 10.87 C +ATOM 779 O LEU A 94 -6.235 -6.738 5.617 1.00 14.49 O +ATOM 780 N SER A 95 -5.415 -4.960 4.454 1.00 9.20 N +ATOM 781 CA SER A 95 -4.230 -4.880 5.286 1.00 9.77 C +ATOM 782 CB SER A 95 -3.213 -3.911 4.686 1.00 11.24 C +ATOM 783 OG SER A 95 -3.678 -2.577 4.728 1.00 10.77 O +ATOM 784 C SER A 95 -4.613 -4.532 6.698 1.00 10.28 C +ATOM 785 O SER A 95 -4.114 -5.116 7.657 1.00 11.54 O +ATOM 786 N GLY A 96 -5.590 -3.634 6.844 1.00 9.63 N +ATOM 787 CA GLY A 96 -6.087 -3.270 8.168 1.00 9.09 C +ATOM 788 C GLY A 96 -6.762 -4.436 8.867 1.00 10.87 C +ATOM 789 O GLY A 96 -6.613 -4.635 10.100 1.00 9.44 O +ATOM 790 N TYR A 97 -7.569 -5.191 8.106 1.00 10.40 N +ATOM 791 CA TYR A 97 -8.290 -6.287 8.694 1.00 10.22 C +ATOM 792 CB TYR A 97 -9.250 -6.949 7.687 1.00 9.26 C +ATOM 793 CG TYR A 97 -9.519 -8.374 7.968 1.00 11.80 C +ATOM 794 CD1 TYR A 97 -10.347 -8.775 8.992 1.00 13.53 C +ATOM 795 CE1 TYR A 97 -10.532 -10.110 9.272 1.00 15.13 C +ATOM 796 CZ TYR A 97 -9.902 -11.053 8.518 1.00 17.92 C +ATOM 797 OH TYR A 97 -10.075 -12.435 8.689 1.00 35.59 O +ATOM 798 CE2 TYR A 97 -9.093 -10.678 7.495 1.00 20.60 C +ATOM 799 CD2 TYR A 97 -8.884 -9.347 7.235 1.00 15.19 C +ATOM 800 C TYR A 97 -7.294 -7.303 9.260 1.00 10.61 C +ATOM 801 O TYR A 97 -7.494 -7.813 10.362 1.00 9.19 O +ATOM 802 N VAL A 98 -6.266 -7.642 8.465 1.00 10.24 N +ATOM 803 CA VAL A 98 -5.312 -8.664 8.858 1.00 11.42 C +ATOM 804 CB VAL A 98 -4.425 -9.049 7.669 1.00 13.55 C +ATOM 805 CG1 VAL A 98 -3.289 -9.957 8.138 1.00 13.24 C +ATOM 806 CG2 VAL A 98 -5.264 -9.766 6.594 1.00 13.47 C +ATOM 807 C VAL A 98 -4.441 -8.204 10.028 1.00 9.87 C +ATOM 808 O VAL A 98 -4.173 -8.969 10.946 1.00 8.32 O +ATOM 809 N GLN A 99 -3.981 -6.953 9.959 1.00 9.03 N +ATOM 810 CA GLN A 99 -3.238 -6.349 11.038 1.00 10.14 C +ATOM 811 CB GLN A 99 -2.867 -4.919 10.741 1.00 9.94 C +ATOM 812 CG GLN A 99 -1.925 -4.309 11.812 1.00 12.42 C +ATOM 813 CD GLN A 99 -0.648 -5.101 12.038 1.00 12.41 C +ATOM 814 OE1 GLN A 99 -0.090 -5.670 11.095 1.00 10.66 O +ATOM 815 NE2 GLN A 99 -0.218 -5.211 13.309 1.00 13.91 N +ATOM 816 C GLN A 99 -3.975 -6.405 12.343 1.00 10.64 C +ATOM 817 O GLN A 99 -3.384 -6.788 13.386 1.00 13.44 O +ATOM 818 N GLN A 100 -5.255 -6.016 12.332 1.00 11.43 N +ATOM 819 CA GLN A 100 -5.995 -5.975 13.596 1.00 10.79 C +ATOM 820 CB GLN A 100 -7.257 -5.133 13.563 1.00 15.29 C +ATOM 821 CG GLN A 100 -8.380 -5.569 12.629 1.00 15.18 C +ATOM 822 CD GLN A 100 -9.225 -6.715 13.139 1.00 20.02 C +ATOM 823 OE1 GLN A 100 -9.472 -6.808 14.363 1.00 17.98 O +ATOM 824 NE2 GLN A 100 -9.605 -7.683 12.195 1.00 13.46 N +ATOM 825 C GLN A 100 -6.266 -7.363 14.120 1.00 11.18 C +ATOM 826 O GLN A 100 -6.235 -7.573 15.322 1.00 10.28 O +ATOM 827 N LYS A 101 -6.472 -8.333 13.220 1.00 12.05 N +ATOM 828 CA LYS A 101 -6.681 -9.723 13.636 1.00 15.91 C +ATOM 829 CB LYS A 101 -6.895 -10.634 12.429 1.00 19.62 C +ATOM 830 CG LYS A 101 -7.287 -12.058 12.764 1.00 25.54 C +ATOM 831 CD LYS A 101 -8.474 -12.147 13.720 1.00 36.13 C +ATOM 832 CE LYS A 101 -9.673 -11.284 13.326 1.00 47.35 C +ATOM 833 NZ LYS A 101 -10.721 -11.377 14.389 1.00 53.61 N +ATOM 834 C LYS A 101 -5.500 -10.280 14.454 1.00 14.76 C +ATOM 835 O LYS A 101 -5.719 -10.974 15.393 1.00 12.05 O +ATOM 836 N PHE A 102 -4.264 -9.996 14.037 1.00 17.64 N +ATOM 837 CA PHE A 102 -3.069 -10.555 14.677 1.00 22.08 C +ATOM 838 CB PHE A 102 -1.839 -10.534 13.768 1.00 32.43 C +ATOM 839 CG PHE A 102 -1.901 -11.454 12.572 1.00 49.16 C +ATOM 840 CD1 PHE A 102 -2.862 -12.455 12.445 1.00 57.17 C +ATOM 841 CE1 PHE A 102 -2.866 -13.295 11.330 1.00 64.20 C +ATOM 842 CZ PHE A 102 -1.892 -13.156 10.344 1.00 70.11 C +ATOM 843 CE2 PHE A 102 -0.914 -12.178 10.463 1.00 66.22 C +ATOM 844 CD2 PHE A 102 -0.918 -11.337 11.570 1.00 70.03 C +ATOM 845 C PHE A 102 -2.668 -9.771 15.906 1.00 15.16 C +ATOM 846 O PHE A 102 -2.255 -10.357 16.860 1.00 18.94 O +ATOM 847 N SER A 103 -2.801 -8.443 15.854 1.00 13.90 N +ATOM 848 CA SER A 103 -2.190 -7.538 16.816 1.00 11.20 C +ATOM 849 CB SER A 103 -1.010 -6.901 16.091 1.00 11.98 C +ATOM 850 OG SER A 103 -0.155 -7.948 15.732 1.00 11.27 O +ATOM 851 C SER A 103 -3.041 -6.399 17.376 1.00 11.46 C +ATOM 852 O SER A 103 -2.533 -5.548 18.090 1.00 9.51 O +ATOM 853 N GLY A 104 -4.315 -6.325 16.976 1.00 10.24 N +ATOM 854 CA GLY A 104 -5.217 -5.309 17.481 1.00 9.26 C +ATOM 855 C GLY A 104 -5.236 -4.009 16.680 1.00 9.97 C +ATOM 856 O GLY A 104 -4.581 -3.850 15.652 1.00 7.26 O +ATOM 857 N PRO A 105 -6.068 -3.048 17.121 1.00 7.88 N +ATOM 858 CA PRO A 105 -6.440 -1.913 16.282 1.00 8.48 C +ATOM 859 CB PRO A 105 -7.760 -1.519 16.927 1.00 8.22 C +ATOM 860 CG PRO A 105 -7.526 -1.820 18.398 1.00 6.83 C +ATOM 861 CD PRO A 105 -6.796 -3.114 18.390 1.00 6.35 C +ATOM 862 C PRO A 105 -5.457 -0.681 16.228 1.00 10.05 C +ATOM 863 O PRO A 105 -5.726 0.307 15.537 1.00 10.01 O +ATOM 864 N TRP A 106 -4.367 -0.740 16.992 1.00 11.69 N +ATOM 865 CA TRP A 106 -3.498 0.422 17.226 1.00 11.54 C +ATOM 866 CB TRP A 106 -2.977 0.415 18.663 1.00 12.46 C +ATOM 867 CG TRP A 106 -4.087 0.430 19.601 1.00 12.18 C +ATOM 868 CD1 TRP A 106 -4.515 -0.604 20.362 1.00 10.82 C +ATOM 869 NE1 TRP A 106 -5.592 -0.214 21.128 1.00 11.60 N +ATOM 870 CE2 TRP A 106 -5.934 1.072 20.791 1.00 11.11 C +ATOM 871 CD2 TRP A 106 -4.992 1.513 19.833 1.00 13.14 C +ATOM 872 CE3 TRP A 106 -5.101 2.806 19.333 1.00 17.26 C +ATOM 873 CZ3 TRP A 106 -6.162 3.615 19.799 1.00 14.76 C +ATOM 874 CH2 TRP A 106 -7.062 3.140 20.765 1.00 11.76 C +ATOM 875 CZ2 TRP A 106 -6.967 1.876 21.254 1.00 10.23 C +ATOM 876 C TRP A 106 -2.361 0.393 16.263 1.00 10.94 C +ATOM 877 O TRP A 106 -1.195 0.124 16.642 1.00 10.11 O +ATOM 878 N PHE A 107 -2.709 0.640 14.997 1.00 11.04 N +ATOM 879 CA PHE A 107 -1.764 0.669 13.907 1.00 10.70 C +ATOM 880 CB PHE A 107 -1.780 -0.683 13.192 1.00 13.62 C +ATOM 881 CG PHE A 107 -3.055 -0.981 12.478 1.00 12.43 C +ATOM 882 CD1 PHE A 107 -4.101 -1.552 13.148 1.00 14.88 C +ATOM 883 CE1 PHE A 107 -5.286 -1.837 12.510 1.00 15.39 C +ATOM 884 CZ PHE A 107 -5.435 -1.512 11.190 1.00 15.58 C +ATOM 885 CE2 PHE A 107 -4.388 -0.947 10.489 1.00 12.75 C +ATOM 886 CD2 PHE A 107 -3.202 -0.668 11.145 1.00 14.16 C +ATOM 887 C PHE A 107 -2.133 1.791 12.969 1.00 12.33 C +ATOM 888 O PHE A 107 -3.244 2.341 13.025 1.00 12.46 O +ATOM 889 N GLY A 108 -1.192 2.152 12.097 1.00 9.93 N +ATOM 890 CA GLY A 108 -1.459 3.141 11.089 1.00 8.76 C +ATOM 891 C GLY A 108 -0.352 3.178 10.084 1.00 9.73 C +ATOM 892 O GLY A 108 0.717 2.636 10.301 1.00 9.84 O +ATOM 893 N GLY A 109 -0.607 3.856 8.974 1.00 10.32 N +ATOM 894 CA GLY A 109 0.409 4.042 7.971 1.00 10.57 C +ATOM 895 C GLY A 109 0.014 3.548 6.596 1.00 11.70 C +ATOM 896 O GLY A 109 -0.753 2.586 6.452 1.00 11.87 O +ATOM 897 N LEU A 110 0.604 4.186 5.588 1.00 11.04 N +ATOM 898 CA LEU A 110 0.424 3.859 4.190 1.00 14.57 C +ATOM 899 CB LEU A 110 0.718 5.128 3.351 1.00 11.87 C +ATOM 900 CG LEU A 110 0.154 5.105 1.933 1.00 12.86 C +ATOM 901 CD1 LEU A 110 -1.387 5.048 1.998 1.00 12.16 C +ATOM 902 CD2 LEU A 110 0.647 6.371 1.227 1.00 12.82 C +ATOM 903 C LEU A 110 1.186 2.611 3.628 1.00 11.01 C +ATOM 904 O LEU A 110 0.993 2.204 2.505 1.00 14.43 O +ATOM 905 N SER A 111 2.024 1.979 4.429 1.00 13.29 N +ATOM 906 CA SER A 111 2.845 0.888 3.946 1.00 10.12 C +ATOM 907 CB SER A 111 3.898 0.485 4.992 1.00 10.55 C +ATOM 908 OG SER A 111 3.320 -0.053 6.194 1.00 11.02 O +ATOM 909 C SER A 111 2.089 -0.351 3.481 1.00 12.43 C +ATOM 910 O SER A 111 2.634 -1.120 2.676 1.00 13.91 O +ATOM 911 N GLY A 112 0.858 -0.562 3.971 1.00 12.21 N +ATOM 912 CA GLY A 112 0.035 -1.663 3.484 1.00 12.07 C +ATOM 913 C GLY A 112 -0.209 -1.434 2.009 1.00 11.14 C +ATOM 914 O GLY A 112 -0.034 -2.335 1.146 1.00 9.44 O +ATOM 915 N VAL A 113 -0.603 -0.192 1.714 1.00 10.51 N +ATOM 916 CA VAL A 113 -0.867 0.283 0.356 1.00 10.87 C +ATOM 917 CB VAL A 113 -1.508 1.687 0.352 1.00 8.83 C +ATOM 918 CG1 VAL A 113 -1.660 2.166 -1.059 1.00 13.82 C +ATOM 919 CG2 VAL A 113 -2.865 1.687 1.021 1.00 9.67 C +ATOM 920 C VAL A 113 0.414 0.290 -0.469 1.00 9.75 C +ATOM 921 O VAL A 113 0.432 -0.103 -1.577 1.00 10.43 O +ATOM 922 N VAL A 114 1.508 0.767 0.113 1.00 10.82 N +ATOM 923 CA VAL A 114 2.762 0.775 -0.584 1.00 10.51 C +ATOM 924 CB VAL A 114 3.842 1.485 0.225 1.00 9.83 C +ATOM 925 CG1 VAL A 114 5.199 1.247 -0.375 1.00 8.18 C +ATOM 926 CG2 VAL A 114 3.541 2.962 0.244 1.00 11.97 C +ATOM 927 C VAL A 114 3.197 -0.628 -0.973 1.00 10.52 C +ATOM 928 O VAL A 114 3.678 -0.814 -2.114 1.00 8.61 O +ATOM 929 N TYR A 115 3.043 -1.596 -0.049 1.00 11.27 N +ATOM 930 CA TYR A 115 3.414 -2.996 -0.328 1.00 12.70 C +ATOM 931 CB TYR A 115 3.320 -3.943 0.896 1.00 13.31 C +ATOM 932 CG TYR A 115 4.556 -3.954 1.826 1.00 16.02 C +ATOM 933 CD1 TYR A 115 5.159 -2.779 2.226 1.00 14.22 C +ATOM 934 CE1 TYR A 115 6.236 -2.770 3.059 1.00 13.42 C +ATOM 935 CZ TYR A 115 6.735 -3.950 3.563 1.00 17.17 C +ATOM 936 OH TYR A 115 7.822 -3.893 4.430 1.00 14.11 O +ATOM 937 CE2 TYR A 115 6.156 -5.157 3.195 1.00 15.96 C +ATOM 938 CD2 TYR A 115 5.076 -5.152 2.331 1.00 18.31 C +ATOM 939 C TYR A 115 2.578 -3.556 -1.496 1.00 13.25 C +ATOM 940 O TYR A 115 3.112 -4.264 -2.333 1.00 12.92 O +ATOM 941 N ALA A 116 1.272 -3.244 -1.524 1.00 11.18 N +ATOM 942 CA ALA A 116 0.378 -3.644 -2.626 1.00 10.79 C +ATOM 943 CB ALA A 116 -1.030 -3.160 -2.328 1.00 11.53 C +ATOM 944 C ALA A 116 0.883 -3.072 -3.969 1.00 12.39 C +ATOM 945 O ALA A 116 0.976 -3.781 -4.968 1.00 9.32 O +ATOM 946 N LEU A 117 1.307 -1.803 -3.960 1.00 11.10 N +ATOM 947 CA LEU A 117 1.793 -1.174 -5.192 1.00 12.43 C +ATOM 948 CB LEU A 117 2.021 0.336 -4.980 1.00 9.99 C +ATOM 949 CG LEU A 117 0.732 1.105 -4.829 1.00 12.19 C +ATOM 950 CD1 LEU A 117 1.067 2.545 -4.468 1.00 14.38 C +ATOM 951 CD2 LEU A 117 -0.071 1.040 -6.123 1.00 10.14 C +ATOM 952 C LEU A 117 3.062 -1.832 -5.692 1.00 10.88 C +ATOM 953 O LEU A 117 3.231 -2.090 -6.909 1.00 11.53 O +ATOM 954 N MET A 118 3.969 -2.096 -4.748 1.00 10.42 N +ATOM 955 CA MET A 118 5.201 -2.771 -5.073 1.00 10.48 C +ATOM 956 CB MET A 118 6.032 -2.963 -3.833 1.00 13.13 C +ATOM 957 CG MET A 118 6.762 -1.697 -3.397 1.00 14.60 C +ATOM 958 SD MET A 118 7.500 -2.061 -1.777 1.00 14.44 S +ATOM 959 CE MET A 118 8.512 -0.606 -1.567 1.00 20.16 C +ATOM 960 C MET A 118 4.967 -4.096 -5.740 1.00 9.46 C +ATOM 961 O MET A 118 5.547 -4.372 -6.811 1.00 8.61 O +ATOM 962 N GLY A 119 4.128 -4.921 -5.109 1.00 7.77 N +ATOM 963 CA GLY A 119 3.780 -6.215 -5.668 1.00 11.08 C +ATOM 964 C GLY A 119 3.013 -6.118 -7.011 1.00 11.34 C +ATOM 965 O GLY A 119 3.228 -6.907 -7.928 1.00 8.29 O +ATOM 966 N TYR A 120 2.094 -5.146 -7.090 1.00 11.77 N +ATOM 967 CA TYR A 120 1.310 -4.902 -8.270 1.00 10.79 C +ATOM 968 CB TYR A 120 0.268 -3.789 -8.056 1.00 9.35 C +ATOM 969 CG TYR A 120 -0.656 -3.729 -9.246 1.00 8.93 C +ATOM 970 CD1 TYR A 120 -1.761 -4.582 -9.374 1.00 8.49 C +ATOM 971 CE1 TYR A 120 -2.583 -4.520 -10.496 1.00 7.07 C +ATOM 972 CZ TYR A 120 -2.276 -3.617 -11.508 1.00 7.22 C +ATOM 973 OH TYR A 120 -2.971 -3.472 -12.648 1.00 5.80 O +ATOM 974 CE2 TYR A 120 -1.183 -2.785 -11.390 1.00 8.41 C +ATOM 975 CD2 TYR A 120 -0.395 -2.853 -10.276 1.00 8.76 C +ATOM 976 C TYR A 120 2.201 -4.575 -9.482 1.00 11.63 C +ATOM 977 O TYR A 120 2.107 -5.247 -10.564 1.00 7.78 O +ATOM 978 N VAL A 121 3.017 -3.519 -9.321 1.00 12.00 N +ATOM 979 CA VAL A 121 3.800 -2.988 -10.441 1.00 9.62 C +ATOM 980 CB VAL A 121 4.453 -1.625 -10.146 1.00 9.65 C +ATOM 981 CG1 VAL A 121 5.414 -1.209 -11.276 1.00 9.29 C +ATOM 982 CG2 VAL A 121 3.388 -0.562 -9.926 1.00 10.90 C +ATOM 983 C VAL A 121 4.821 -4.036 -10.855 1.00 10.36 C +ATOM 984 O VAL A 121 4.985 -4.342 -12.051 1.00 9.00 O +ATOM 985 N TRP A 122 5.474 -4.644 -9.863 1.00 10.35 N +ATOM 986 CA TRP A 122 6.471 -5.652 -10.166 1.00 10.59 C +ATOM 987 CB TRP A 122 7.098 -6.217 -8.883 1.00 11.33 C +ATOM 988 CG TRP A 122 8.104 -7.242 -9.233 1.00 11.45 C +ATOM 989 CD1 TRP A 122 9.278 -7.032 -9.857 1.00 12.33 C +ATOM 990 NE1 TRP A 122 9.919 -8.220 -10.058 1.00 12.12 N +ATOM 991 CE2 TRP A 122 9.141 -9.230 -9.567 1.00 12.27 C +ATOM 992 CD2 TRP A 122 7.981 -8.647 -9.059 1.00 13.87 C +ATOM 993 CE3 TRP A 122 7.004 -9.467 -8.500 1.00 17.98 C +ATOM 994 CZ3 TRP A 122 7.228 -10.841 -8.476 1.00 18.17 C +ATOM 995 CH2 TRP A 122 8.392 -11.399 -9.011 1.00 14.65 C +ATOM 996 CZ2 TRP A 122 9.360 -10.612 -9.550 1.00 14.95 C +ATOM 997 C TRP A 122 5.866 -6.834 -10.982 1.00 10.52 C +ATOM 998 O TRP A 122 6.376 -7.200 -12.039 1.00 6.62 O +ATOM 999 N LEU A 123 4.798 -7.431 -10.436 1.00 9.99 N +ATOM 1000 CA LEU A 123 4.236 -8.639 -10.992 1.00 12.53 C +ATOM 1001 CB LEU A 123 3.242 -9.306 -10.025 1.00 12.84 C +ATOM 1002 CG LEU A 123 2.717 -10.640 -10.622 1.00 16.41 C +ATOM 1003 CD1 LEU A 123 3.851 -11.614 -10.939 1.00 17.09 C +ATOM 1004 CD2 LEU A 123 1.678 -11.292 -9.719 1.00 18.37 C +ATOM 1005 C LEU A 123 3.578 -8.340 -12.350 1.00 12.42 C +ATOM 1006 O LEU A 123 3.724 -9.102 -13.289 1.00 9.14 O +ATOM 1007 N ARG A 124 2.880 -7.201 -12.438 1.00 12.68 N +ATOM 1008 CA ARG A 124 2.221 -6.812 -13.684 1.00 13.93 C +ATOM 1009 CB ARG A 124 1.417 -5.541 -13.460 1.00 14.88 C +ATOM 1010 CG ARG A 124 0.528 -5.098 -14.593 1.00 18.68 C +ATOM 1011 CD ARG A 124 -0.784 -5.868 -14.693 1.00 18.98 C +ATOM 1012 NE ARG A 124 -1.470 -5.582 -15.960 1.00 18.18 N +ATOM 1013 CZ ARG A 124 -2.321 -4.576 -16.184 1.00 17.39 C +ATOM 1014 NH1 ARG A 124 -2.663 -3.708 -15.249 1.00 15.90 N +ATOM 1015 NH2 ARG A 124 -2.867 -4.452 -17.369 1.00 19.04 N +ATOM 1016 C ARG A 124 3.280 -6.664 -14.777 1.00 11.93 C +ATOM 1017 O ARG A 124 3.098 -7.141 -15.879 1.00 11.11 O +ATOM 1018 N GLY A 125 4.393 -6.009 -14.432 1.00 11.83 N +ATOM 1019 CA GLY A 125 5.570 -5.927 -15.273 1.00 13.33 C +ATOM 1020 C GLY A 125 6.050 -7.286 -15.737 1.00 12.39 C +ATOM 1021 O GLY A 125 6.206 -7.513 -16.921 1.00 14.55 O +ATOM 1022 N GLU A 126 6.255 -8.206 -14.797 1.00 15.51 N +ATOM 1023 CA GLU A 126 6.746 -9.536 -15.137 1.00 19.50 C +ATOM 1024 CB GLU A 126 7.039 -10.355 -13.869 1.00 21.28 C +ATOM 1025 CG GLU A 126 8.192 -9.810 -13.037 1.00 25.78 C +ATOM 1026 CD GLU A 126 9.507 -9.667 -13.814 1.00 27.78 C +ATOM 1027 OE1 GLU A 126 10.253 -10.654 -13.907 1.00 26.10 O +ATOM 1028 OE2 GLU A 126 9.809 -8.552 -14.316 1.00 34.29 O +ATOM 1029 C GLU A 126 5.807 -10.314 -16.067 1.00 22.38 C +ATOM 1030 O GLU A 126 6.267 -10.978 -16.989 1.00 19.45 O +ATOM 1031 N ARG A 127 4.493 -10.236 -15.816 1.00 24.01 N +ATOM 1032 CA ARG A 127 3.518 -11.098 -16.495 1.00 25.28 C +ATOM 1033 CB ARG A 127 2.382 -11.466 -15.540 1.00 25.96 C +ATOM 1034 CG ARG A 127 2.787 -12.411 -14.416 1.00 30.58 C +ATOM 1035 CD ARG A 127 1.581 -13.121 -13.799 1.00 33.46 C +ATOM 1036 NE ARG A 127 1.003 -14.101 -14.719 1.00 30.34 N +ATOM 1037 CZ ARG A 127 -0.292 -14.237 -15.015 1.00 37.18 C +ATOM 1038 NH1 ARG A 127 -1.225 -13.501 -14.432 1.00 48.05 N +ATOM 1039 NH2 ARG A 127 -0.666 -15.148 -15.897 1.00 35.07 N +ATOM 1040 C ARG A 127 2.929 -10.485 -17.761 1.00 25.09 C +ATOM 1041 O ARG A 127 2.431 -11.182 -18.611 1.00 38.00 O +ATOM 1042 N ASP A 128 2.991 -9.161 -17.870 1.00 30.78 N +ATOM 1043 CA ASP A 128 2.188 -8.414 -18.819 1.00 27.85 C +ATOM 1044 CB ASP A 128 0.866 -8.053 -18.129 1.00 37.74 C +ATOM 1045 CG ASP A 128 -0.161 -7.438 -19.057 1.00 32.34 C +ATOM 1046 OD1 ASP A 128 -0.006 -7.503 -20.296 1.00 34.10 O +ATOM 1047 OD2 ASP A 128 -1.147 -6.893 -18.503 1.00 23.64 O +ATOM 1048 C ASP A 128 3.015 -7.181 -19.165 1.00 29.31 C +ATOM 1049 O ASP A 128 2.616 -6.051 -18.889 1.00 21.22 O +ATOM 1050 N PRO A 129 4.226 -7.395 -19.731 1.00 31.44 N +ATOM 1051 CA PRO A 129 5.109 -6.314 -20.169 1.00 33.06 C +ATOM 1052 CB PRO A 129 5.948 -7.003 -21.263 1.00 39.26 C +ATOM 1053 CG PRO A 129 5.945 -8.464 -20.915 1.00 36.32 C +ATOM 1054 CD PRO A 129 4.830 -8.724 -19.941 1.00 33.88 C +ATOM 1055 C PRO A 129 4.489 -5.026 -20.743 1.00 26.37 C +ATOM 1056 O PRO A 129 4.764 -3.952 -20.239 1.00 36.71 O +ATOM 1057 N GLN A 130 3.697 -5.132 -21.807 1.00 29.64 N +ATOM 1058 CA GLN A 130 3.330 -3.943 -22.569 1.00 39.65 C +ATOM 1059 CB GLN A 130 3.517 -4.154 -24.087 1.00 44.02 C +ATOM 1060 CG GLN A 130 4.795 -4.886 -24.528 1.00 46.53 C +ATOM 1061 CD GLN A 130 6.113 -4.367 -23.934 1.00 48.57 C +ATOM 1062 OE1 GLN A 130 6.153 -3.534 -23.020 1.00 39.00 O +ATOM 1063 NE2 GLN A 130 7.210 -4.888 -24.463 1.00 49.29 N +ATOM 1064 C GLN A 130 1.940 -3.380 -22.244 1.00 40.56 C +ATOM 1065 O GLN A 130 1.258 -2.836 -23.110 1.00 43.17 O +ATOM 1066 N SER A 131 1.541 -3.499 -20.974 1.00 36.80 N +ATOM 1067 CA SER A 131 0.605 -2.561 -20.361 1.00 34.27 C +ATOM 1068 CB SER A 131 -0.082 -3.172 -19.139 1.00 42.18 C +ATOM 1069 OG SER A 131 0.777 -4.049 -18.428 1.00 46.33 O +ATOM 1070 C SER A 131 1.388 -1.294 -19.981 1.00 33.35 C +ATOM 1071 O SER A 131 0.791 -0.296 -19.554 1.00 24.86 O +ATOM 1072 N GLY A 132 2.724 -1.359 -20.153 1.00 25.71 N +ATOM 1073 CA GLY A 132 3.627 -0.240 -20.001 1.00 23.70 C +ATOM 1074 C GLY A 132 3.926 0.067 -18.541 1.00 30.35 C +ATOM 1075 O GLY A 132 4.341 1.179 -18.207 1.00 28.25 O +ATOM 1076 N ILE A 133 3.704 -0.916 -17.663 1.00 25.82 N +ATOM 1077 CA ILE A 133 3.998 -0.763 -16.254 1.00 31.87 C +ATOM 1078 CB ILE A 133 2.686 -0.724 -15.403 1.00 36.08 C +ATOM 1079 CG1 ILE A 133 2.872 0.176 -14.185 1.00 45.14 C +ATOM 1080 CD1 ILE A 133 2.061 -0.228 -12.962 1.00 52.13 C +ATOM 1081 CG2 ILE A 133 2.203 -2.122 -15.014 1.00 34.59 C +ATOM 1082 C ILE A 133 4.976 -1.885 -15.849 1.00 32.43 C +ATOM 1083 O ILE A 133 4.755 -3.067 -16.148 1.00 27.54 O +ATOM 1084 N TYR A 134 6.081 -1.500 -15.201 1.00 29.47 N +ATOM 1085 CA TYR A 134 7.049 -2.463 -14.656 1.00 28.04 C +ATOM 1086 CB TYR A 134 7.937 -3.039 -15.770 1.00 25.02 C +ATOM 1087 CG TYR A 134 8.900 -2.022 -16.317 1.00 32.76 C +ATOM 1088 CD1 TYR A 134 8.461 -1.022 -17.198 1.00 39.16 C +ATOM 1089 CE1 TYR A 134 9.341 -0.073 -17.699 1.00 39.45 C +ATOM 1090 CZ TYR A 134 10.674 -0.114 -17.314 1.00 37.28 C +ATOM 1091 OH TYR A 134 11.542 0.820 -17.815 1.00 41.33 O +ATOM 1092 CE2 TYR A 134 11.135 -1.092 -16.446 1.00 34.47 C +ATOM 1093 CD2 TYR A 134 10.253 -2.039 -15.955 1.00 36.92 C +ATOM 1094 C TYR A 134 7.906 -1.803 -13.575 1.00 22.78 C +ATOM 1095 O TYR A 134 7.943 -0.587 -13.446 1.00 15.53 O +ATOM 1096 N LEU A 135 8.584 -2.631 -12.782 1.00 20.92 N +ATOM 1097 CA LEU A 135 9.495 -2.154 -11.752 1.00 20.28 C +ATOM 1098 CB LEU A 135 9.165 -2.810 -10.405 1.00 17.40 C +ATOM 1099 CG LEU A 135 9.821 -2.159 -9.195 1.00 19.59 C +ATOM 1100 CD1 LEU A 135 9.403 -0.705 -9.022 1.00 19.86 C +ATOM 1101 CD2 LEU A 135 9.497 -2.957 -7.948 1.00 18.34 C +ATOM 1102 C LEU A 135 10.906 -2.493 -12.240 1.00 19.49 C +ATOM 1103 O LEU A 135 11.294 -3.664 -12.280 1.00 21.86 O +ATOM 1104 N GLN A 136 11.657 -1.461 -12.640 1.00 18.05 N +ATOM 1105 CA GLN A 136 13.041 -1.614 -13.051 1.00 17.10 C +ATOM 1106 CB GLN A 136 13.665 -0.236 -13.417 1.00 26.31 C +ATOM 1107 CG GLN A 136 14.777 -0.294 -14.464 1.00 39.12 C +ATOM 1108 CD GLN A 136 15.318 1.074 -14.929 1.00 50.37 C +ATOM 1109 OE1 GLN A 136 15.077 1.483 -16.069 1.00 73.70 O +ATOM 1110 NE2 GLN A 136 16.074 1.760 -14.071 1.00 44.72 N +ATOM 1111 C GLN A 136 13.819 -2.347 -11.919 1.00 11.77 C +ATOM 1112 O GLN A 136 13.624 -2.081 -10.726 1.00 9.83 O +ATOM 1113 N ARG A 137 14.635 -3.319 -12.325 1.00 9.13 N +ATOM 1114 CA ARG A 137 15.623 -4.027 -11.511 1.00 9.26 C +ATOM 1115 CB ARG A 137 16.822 -4.296 -12.412 1.00 9.45 C +ATOM 1116 CG ARG A 137 16.655 -5.482 -13.326 1.00 7.99 C +ATOM 1117 CD ARG A 137 17.906 -5.620 -14.157 1.00 8.29 C +ATOM 1118 NE ARG A 137 17.924 -6.937 -14.724 1.00 7.81 N +ATOM 1119 CZ ARG A 137 18.919 -7.440 -15.404 1.00 6.98 C +ATOM 1120 NH1 ARG A 137 20.015 -6.751 -15.648 1.00 7.55 N +ATOM 1121 NH2 ARG A 137 18.810 -8.667 -15.831 1.00 7.93 N +ATOM 1122 C ARG A 137 16.142 -3.294 -10.287 1.00 9.30 C +ATOM 1123 O ARG A 137 15.964 -3.717 -9.137 1.00 7.70 O +ATOM 1124 N GLY A 138 16.804 -2.165 -10.552 1.00 10.91 N +ATOM 1125 CA GLY A 138 17.296 -1.302 -9.512 1.00 11.21 C +ATOM 1126 C GLY A 138 16.267 -1.061 -8.463 1.00 11.70 C +ATOM 1127 O GLY A 138 16.453 -1.386 -7.307 1.00 13.34 O +ATOM 1128 N LEU A 139 15.144 -0.470 -8.863 1.00 14.08 N +ATOM 1129 CA LEU A 139 14.143 -0.162 -7.901 1.00 18.01 C +ATOM 1130 CB LEU A 139 13.005 0.709 -8.473 1.00 28.25 C +ATOM 1131 CG LEU A 139 13.298 2.216 -8.567 1.00 37.18 C +ATOM 1132 CD1 LEU A 139 13.818 2.750 -7.239 1.00 34.03 C +ATOM 1133 CD2 LEU A 139 14.282 2.529 -9.694 1.00 43.14 C +ATOM 1134 C LEU A 139 13.598 -1.384 -7.233 1.00 12.45 C +ATOM 1135 O LEU A 139 13.144 -1.278 -6.108 1.00 12.20 O +ATOM 1136 N ILE A 140 13.570 -2.529 -7.924 1.00 12.62 N +ATOM 1137 CA ILE A 140 13.024 -3.706 -7.258 1.00 18.00 C +ATOM 1138 CB ILE A 140 12.508 -4.849 -8.159 1.00 27.50 C +ATOM 1139 CG1 ILE A 140 12.133 -6.129 -7.323 1.00 57.40 C +ATOM 1140 CD1 ILE A 140 11.057 -6.010 -6.219 1.00 51.20 C +ATOM 1141 CG2 ILE A 140 13.497 -5.201 -9.227 1.00 31.26 C +ATOM 1142 C ILE A 140 13.980 -4.206 -6.206 1.00 14.01 C +ATOM 1143 O ILE A 140 13.523 -4.655 -5.163 1.00 12.52 O +ATOM 1144 N ILE A 141 15.293 -4.066 -6.443 1.00 10.25 N +ATOM 1145 CA ILE A 141 16.231 -4.301 -5.364 1.00 9.31 C +ATOM 1146 CB ILE A 141 17.662 -4.035 -5.787 1.00 9.76 C +ATOM 1147 CG1 ILE A 141 18.116 -5.203 -6.656 1.00 10.18 C +ATOM 1148 CD1 ILE A 141 18.026 -6.534 -5.937 1.00 11.74 C +ATOM 1149 CG2 ILE A 141 18.551 -3.769 -4.557 1.00 8.46 C +ATOM 1150 C ILE A 141 15.859 -3.453 -4.140 1.00 8.65 C +ATOM 1151 O ILE A 141 15.760 -3.974 -3.011 1.00 8.01 O +ATOM 1152 N PHE A 142 15.607 -2.162 -4.359 1.00 7.17 N +ATOM 1153 CA PHE A 142 15.386 -1.278 -3.241 1.00 6.50 C +ATOM 1154 CB PHE A 142 15.615 0.176 -3.648 1.00 6.27 C +ATOM 1155 CG PHE A 142 17.033 0.460 -4.064 1.00 6.80 C +ATOM 1156 CD1 PHE A 142 18.081 0.379 -3.141 1.00 6.62 C +ATOM 1157 CE1 PHE A 142 19.376 0.632 -3.523 1.00 5.81 C +ATOM 1158 CZ PHE A 142 19.651 0.943 -4.827 1.00 6.29 C +ATOM 1159 CE2 PHE A 142 18.649 1.028 -5.756 1.00 5.97 C +ATOM 1160 CD2 PHE A 142 17.353 0.774 -5.389 1.00 6.58 C +ATOM 1161 C PHE A 142 14.034 -1.564 -2.596 1.00 7.08 C +ATOM 1162 O PHE A 142 13.867 -1.430 -1.356 1.00 6.64 O +ATOM 1163 N ALA A 143 13.066 -2.009 -3.410 1.00 7.18 N +ATOM 1164 CA ALA A 143 11.784 -2.410 -2.859 1.00 7.45 C +ATOM 1165 CB ALA A 143 10.753 -2.709 -3.944 1.00 8.30 C +ATOM 1166 C ALA A 143 11.991 -3.633 -1.984 1.00 8.58 C +ATOM 1167 O ALA A 143 11.497 -3.730 -0.844 1.00 8.72 O +ATOM 1168 N LEU A 144 12.753 -4.575 -2.525 1.00 8.93 N +ATOM 1169 CA LEU A 144 13.036 -5.788 -1.833 1.00 10.41 C +ATOM 1170 CB LEU A 144 13.729 -6.719 -2.790 1.00 9.30 C +ATOM 1171 CG LEU A 144 13.995 -8.114 -2.266 1.00 12.78 C +ATOM 1172 CD1 LEU A 144 12.729 -8.868 -1.879 1.00 12.69 C +ATOM 1173 CD2 LEU A 144 14.805 -8.864 -3.332 1.00 12.97 C +ATOM 1174 C LEU A 144 13.787 -5.549 -0.461 1.00 10.09 C +ATOM 1175 O LEU A 144 13.441 -6.139 0.568 1.00 9.09 O +ATOM 1176 N ILE A 145 14.778 -4.654 -0.455 1.00 9.56 N +ATOM 1177 CA ILE A 145 15.456 -4.271 0.778 1.00 9.18 C +ATOM 1178 CB ILE A 145 16.641 -3.309 0.469 1.00 9.69 C +ATOM 1179 CG1 ILE A 145 17.802 -4.055 -0.198 1.00 8.27 C +ATOM 1180 CD1 ILE A 145 18.862 -3.150 -0.760 1.00 8.96 C +ATOM 1181 CG2 ILE A 145 17.200 -2.668 1.716 1.00 9.74 C +ATOM 1182 C ILE A 145 14.456 -3.656 1.794 1.00 10.93 C +ATOM 1183 O ILE A 145 14.517 -3.953 2.986 1.00 9.25 O +ATOM 1184 N TRP A 146 13.548 -2.798 1.309 1.00 12.33 N +ATOM 1185 CA TRP A 146 12.535 -2.162 2.152 1.00 15.03 C +ATOM 1186 CB TRP A 146 11.660 -1.201 1.320 1.00 16.66 C +ATOM 1187 CG TRP A 146 11.018 -0.145 2.175 1.00 23.89 C +ATOM 1188 CD1 TRP A 146 9.671 0.050 2.425 1.00 22.13 C +ATOM 1189 NE1 TRP A 146 9.516 1.114 3.299 1.00 25.00 N +ATOM 1190 CE2 TRP A 146 10.758 1.605 3.618 1.00 28.39 C +ATOM 1191 CD2 TRP A 146 11.716 0.842 2.926 1.00 25.86 C +ATOM 1192 CE3 TRP A 146 13.078 1.158 3.074 1.00 33.64 C +ATOM 1193 CZ3 TRP A 146 13.435 2.215 3.906 1.00 35.89 C +ATOM 1194 CH2 TRP A 146 12.453 2.957 4.572 1.00 33.24 C +ATOM 1195 CZ2 TRP A 146 11.116 2.662 4.445 1.00 32.56 C +ATOM 1196 C TRP A 146 11.662 -3.228 2.845 1.00 13.29 C +ATOM 1197 O TRP A 146 11.397 -3.172 4.046 1.00 11.57 O +ATOM 1198 N ILE A 147 11.278 -4.238 2.072 1.00 12.37 N +ATOM 1199 CA ILE A 147 10.459 -5.341 2.569 1.00 13.81 C +ATOM 1200 CB ILE A 147 9.994 -6.230 1.389 1.00 13.43 C +ATOM 1201 CG1 ILE A 147 9.009 -5.463 0.486 1.00 14.72 C +ATOM 1202 CD1 ILE A 147 8.755 -6.170 -0.828 1.00 17.13 C +ATOM 1203 CG2 ILE A 147 9.330 -7.493 1.883 1.00 13.86 C +ATOM 1204 C ILE A 147 11.230 -6.150 3.610 1.00 11.85 C +ATOM 1205 O ILE A 147 10.708 -6.496 4.637 1.00 11.58 O +ATOM 1206 N VAL A 148 12.502 -6.441 3.329 1.00 13.87 N +ATOM 1207 CA VAL A 148 13.359 -7.127 4.287 1.00 12.37 C +ATOM 1208 CB VAL A 148 14.749 -7.401 3.696 1.00 13.53 C +ATOM 1209 CG1 VAL A 148 15.671 -8.006 4.744 1.00 12.17 C +ATOM 1210 CG2 VAL A 148 14.635 -8.366 2.510 1.00 14.45 C +ATOM 1211 C VAL A 148 13.481 -6.327 5.600 1.00 12.18 C +ATOM 1212 O VAL A 148 13.473 -6.904 6.692 1.00 10.26 O +ATOM 1213 N ALA A 149 13.624 -5.001 5.487 1.00 12.37 N +ATOM 1214 CA ALA A 149 13.775 -4.133 6.653 1.00 13.92 C +ATOM 1215 CB ALA A 149 13.865 -2.682 6.230 1.00 12.52 C +ATOM 1216 C ALA A 149 12.559 -4.314 7.577 1.00 19.91 C +ATOM 1217 O ALA A 149 12.705 -4.515 8.802 1.00 18.95 O +ATOM 1218 N GLY A 150 11.376 -4.237 6.960 1.00 15.29 N +ATOM 1219 CA GLY A 150 10.098 -4.395 7.645 1.00 21.90 C +ATOM 1220 C GLY A 150 9.979 -5.766 8.285 1.00 21.19 C +ATOM 1221 O GLY A 150 9.632 -5.864 9.467 1.00 20.08 O +ATOM 1222 N TRP A 151 10.343 -6.814 7.539 1.00 14.25 N +ATOM 1223 CA TRP A 151 10.147 -8.166 8.019 1.00 16.10 C +ATOM 1224 CB TRP A 151 10.466 -9.212 6.930 1.00 21.32 C +ATOM 1225 CG TRP A 151 10.058 -10.557 7.388 1.00 26.58 C +ATOM 1226 CD1 TRP A 151 10.862 -11.596 7.786 1.00 28.90 C +ATOM 1227 NE1 TRP A 151 10.098 -12.663 8.187 1.00 29.20 N +ATOM 1228 CE2 TRP A 151 8.771 -12.314 8.102 1.00 43.17 C +ATOM 1229 CD2 TRP A 151 8.711 -10.986 7.605 1.00 43.04 C +ATOM 1230 CE3 TRP A 151 7.451 -10.381 7.413 1.00 35.00 C +ATOM 1231 CZ3 TRP A 151 6.312 -11.101 7.726 1.00 39.38 C +ATOM 1232 CH2 TRP A 151 6.399 -12.427 8.222 1.00 36.13 C +ATOM 1233 CZ2 TRP A 151 7.613 -13.046 8.416 1.00 47.28 C +ATOM 1234 C TRP A 151 10.989 -8.449 9.284 1.00 16.03 C +ATOM 1235 O TRP A 151 10.527 -9.014 10.254 1.00 20.42 O +ATOM 1236 N PHE A 152 12.255 -8.055 9.249 1.00 13.13 N +ATOM 1237 CA PHE A 152 13.160 -8.288 10.326 1.00 9.38 C +ATOM 1238 CB PHE A 152 14.541 -8.605 9.751 1.00 8.08 C +ATOM 1239 CG PHE A 152 14.605 -9.910 9.054 1.00 6.45 C +ATOM 1240 CD1 PHE A 152 14.714 -11.067 9.772 1.00 6.02 C +ATOM 1241 CE1 PHE A 152 14.782 -12.295 9.131 1.00 6.85 C +ATOM 1242 CZ PHE A 152 14.707 -12.356 7.747 1.00 6.58 C +ATOM 1243 CE2 PHE A 152 14.561 -11.185 7.023 1.00 6.07 C +ATOM 1244 CD2 PHE A 152 14.521 -9.972 7.682 1.00 6.21 C +ATOM 1245 C PHE A 152 13.195 -7.097 11.273 1.00 9.61 C +ATOM 1246 O PHE A 152 13.997 -7.057 12.134 1.00 10.68 O +ATOM 1247 N ASP A 153 12.272 -6.150 11.120 1.00 15.13 N +ATOM 1248 CA ASP A 153 12.144 -5.003 12.011 1.00 18.45 C +ATOM 1249 CB ASP A 153 11.550 -5.333 13.411 1.00 27.46 C +ATOM 1250 CG ASP A 153 11.031 -4.030 14.145 1.00 33.43 C +ATOM 1251 OD1 ASP A 153 10.690 -3.046 13.421 1.00 34.18 O +ATOM 1252 OD2 ASP A 153 11.007 -3.962 15.406 1.00 24.69 O +ATOM 1253 C ASP A 153 13.445 -4.276 12.193 1.00 15.88 C +ATOM 1254 O ASP A 153 13.898 -4.055 13.303 1.00 13.39 O +ATOM 1255 N LEU A 154 14.023 -3.844 11.074 1.00 15.14 N +ATOM 1256 CA LEU A 154 15.277 -3.125 11.116 1.00 16.65 C +ATOM 1257 CB LEU A 154 16.030 -3.370 9.801 1.00 12.61 C +ATOM 1258 CG LEU A 154 16.365 -4.855 9.545 1.00 10.24 C +ATOM 1259 CD1 LEU A 154 17.150 -5.025 8.231 1.00 11.72 C +ATOM 1260 CD2 LEU A 154 17.125 -5.461 10.697 1.00 8.03 C +ATOM 1261 C LEU A 154 15.056 -1.635 11.464 1.00 17.35 C +ATOM 1262 O LEU A 154 15.983 -0.879 11.541 1.00 22.93 O +ATOM 1263 N PHE A 155 13.814 -1.266 11.766 1.00 24.98 N +ATOM 1264 CA PHE A 155 13.387 0.109 12.027 1.00 33.79 C +ATOM 1265 CB PHE A 155 12.072 0.342 11.316 1.00 27.67 C +ATOM 1266 CG PHE A 155 12.207 0.424 9.822 1.00 32.42 C +ATOM 1267 CD1 PHE A 155 13.134 1.291 9.237 1.00 22.21 C +ATOM 1268 CE1 PHE A 155 13.233 1.397 7.864 1.00 25.70 C +ATOM 1269 CZ PHE A 155 12.402 0.645 7.051 1.00 29.02 C +ATOM 1270 CE2 PHE A 155 11.473 -0.223 7.617 1.00 43.09 C +ATOM 1271 CD2 PHE A 155 11.373 -0.328 8.998 1.00 34.21 C +ATOM 1272 C PHE A 155 13.159 0.419 13.490 1.00 37.83 C +ATOM 1273 O PHE A 155 13.308 -0.463 14.339 1.00 28.41 O +ATOM 1274 N GLY A 156 12.797 1.687 13.756 1.00 38.40 N +ATOM 1275 CA GLY A 156 12.450 2.185 15.075 1.00 35.24 C +ATOM 1276 C GLY A 156 11.396 1.372 15.820 1.00 26.60 C +ATOM 1277 O GLY A 156 11.705 0.631 16.725 1.00 47.21 O +ATOM 1278 N MET A 157 10.136 1.525 15.442 1.00 24.95 N +ATOM 1279 CA MET A 157 9.049 0.928 16.186 1.00 28.59 C +ATOM 1280 CB MET A 157 7.849 1.879 16.250 1.00 39.60 C +ATOM 1281 CG MET A 157 6.919 1.987 15.032 1.00 47.28 C +ATOM 1282 SD MET A 157 5.221 2.488 15.537 1.00 49.14 S +ATOM 1283 CE MET A 157 5.555 4.014 16.445 1.00 47.84 C +ATOM 1284 C MET A 157 8.685 -0.422 15.603 1.00 26.25 C +ATOM 1285 O MET A 157 9.268 -0.822 14.633 1.00 24.50 O +ATOM 1286 N SER A 158 7.712 -1.114 16.208 1.00 24.79 N +ATOM 1287 CA SER A 158 7.184 -2.358 15.668 1.00 25.23 C +ATOM 1288 CB SER A 158 6.162 -2.943 16.610 1.00 32.87 C +ATOM 1289 OG SER A 158 6.737 -3.081 17.863 1.00 32.23 O +ATOM 1290 C SER A 158 6.538 -2.198 14.284 1.00 23.56 C +ATOM 1291 O SER A 158 5.947 -1.168 13.940 1.00 17.24 O +ATOM 1292 N MET A 159 6.668 -3.246 13.479 1.00 22.08 N +ATOM 1293 CA MET A 159 6.131 -3.225 12.144 1.00 24.12 C +ATOM 1294 CB MET A 159 7.080 -3.950 11.171 1.00 30.07 C +ATOM 1295 CG MET A 159 8.393 -3.212 10.927 1.00 25.31 C +ATOM 1296 SD MET A 159 8.215 -1.751 9.906 1.00 33.07 S +ATOM 1297 CE MET A 159 8.288 -0.504 11.209 1.00 33.31 C +ATOM 1298 C MET A 159 4.773 -3.898 12.197 1.00 18.37 C +ATOM 1299 O MET A 159 4.547 -4.846 12.958 1.00 14.74 O +ATOM 1300 N ALA A 160 3.851 -3.399 11.379 1.00 17.85 N +ATOM 1301 CA ALA A 160 2.554 -4.045 11.225 1.00 14.05 C +ATOM 1302 CB ALA A 160 1.534 -3.010 10.713 1.00 15.78 C +ATOM 1303 C ALA A 160 2.806 -5.172 10.227 1.00 12.19 C +ATOM 1304 O ALA A 160 2.717 -4.965 9.029 1.00 12.07 O +ATOM 1305 N ASN A 161 3.168 -6.355 10.739 1.00 13.53 N +ATOM 1306 CA ASN A 161 3.543 -7.489 9.892 1.00 19.51 C +ATOM 1307 CB ASN A 161 4.180 -8.630 10.669 1.00 17.89 C +ATOM 1308 CG ASN A 161 5.496 -8.232 11.317 1.00 22.17 C +ATOM 1309 OD1 ASN A 161 5.674 -8.424 12.513 1.00 33.97 O +ATOM 1310 ND2 ASN A 161 6.416 -7.682 10.540 1.00 23.40 N +ATOM 1311 C ASN A 161 2.358 -8.039 9.116 1.00 17.15 C +ATOM 1312 O ASN A 161 2.504 -8.438 7.962 1.00 12.86 O +ATOM 1313 N GLY A 162 1.178 -7.980 9.735 1.00 13.45 N +ATOM 1314 CA GLY A 162 -0.035 -8.445 9.097 1.00 13.72 C +ATOM 1315 C GLY A 162 -0.434 -7.526 7.981 1.00 11.46 C +ATOM 1316 O GLY A 162 -0.757 -7.987 6.917 1.00 13.83 O +ATOM 1317 N ALA A 163 -0.426 -6.214 8.234 1.00 12.52 N +ATOM 1318 CA ALA A 163 -0.695 -5.246 7.183 1.00 12.63 C +ATOM 1319 CB ALA A 163 -0.618 -3.805 7.684 1.00 14.33 C +ATOM 1320 C ALA A 163 0.283 -5.440 6.019 1.00 15.22 C +ATOM 1321 O ALA A 163 -0.100 -5.242 4.868 1.00 15.81 O +ATOM 1322 N HIS A 164 1.559 -5.737 6.316 1.00 16.26 N +ATOM 1323 CA HIS A 164 2.560 -5.848 5.242 1.00 13.79 C +ATOM 1324 CB HIS A 164 3.982 -5.892 5.775 1.00 13.42 C +ATOM 1325 CG HIS A 164 4.491 -4.560 6.218 1.00 13.02 C +ATOM 1326 ND1 HIS A 164 5.507 -4.419 7.136 1.00 17.19 N +ATOM 1327 CE1 HIS A 164 5.763 -3.139 7.318 1.00 14.34 C +ATOM 1328 NE2 HIS A 164 4.913 -2.437 6.593 1.00 14.26 N +ATOM 1329 CD2 HIS A 164 4.106 -3.306 5.894 1.00 16.05 C +ATOM 1330 C HIS A 164 2.292 -7.043 4.343 1.00 15.17 C +ATOM 1331 O HIS A 164 2.331 -6.914 3.109 1.00 9.69 O +ATOM 1332 N ILE A 165 2.031 -8.199 4.974 1.00 14.29 N +ATOM 1333 CA ILE A 165 1.845 -9.445 4.271 1.00 16.34 C +ATOM 1334 CB ILE A 165 1.694 -10.660 5.212 1.00 21.89 C +ATOM 1335 CG1 ILE A 165 2.894 -10.831 6.123 1.00 33.29 C +ATOM 1336 CD1 ILE A 165 2.571 -11.637 7.383 1.00 39.80 C +ATOM 1337 CG2 ILE A 165 1.550 -11.944 4.404 1.00 25.23 C +ATOM 1338 C ILE A 165 0.557 -9.324 3.450 1.00 13.49 C +ATOM 1339 O ILE A 165 0.525 -9.674 2.290 1.00 14.19 O +ATOM 1340 N ALA A 166 -0.507 -8.815 4.072 1.00 11.61 N +ATOM 1341 CA ALA A 166 -1.782 -8.678 3.408 1.00 12.97 C +ATOM 1342 CB ALA A 166 -2.811 -8.269 4.415 1.00 13.37 C +ATOM 1343 C ALA A 166 -1.742 -7.707 2.179 1.00 12.77 C +ATOM 1344 O ALA A 166 -2.297 -8.000 1.121 1.00 16.05 O +ATOM 1345 N GLY A 167 -1.041 -6.588 2.323 1.00 11.83 N +ATOM 1346 CA GLY A 167 -0.935 -5.569 1.294 1.00 12.25 C +ATOM 1347 C GLY A 167 -0.168 -6.142 0.118 1.00 16.57 C +ATOM 1348 O GLY A 167 -0.621 -6.066 -1.018 1.00 15.94 O +ATOM 1349 N LEU A 168 0.971 -6.783 0.405 1.00 16.37 N +ATOM 1350 CA LEU A 168 1.788 -7.406 -0.648 1.00 18.66 C +ATOM 1351 CB LEU A 168 3.027 -8.093 -0.065 1.00 16.91 C +ATOM 1352 CG LEU A 168 4.025 -8.754 -1.033 1.00 17.02 C +ATOM 1353 CD1 LEU A 168 4.516 -7.768 -2.092 1.00 16.33 C +ATOM 1354 CD2 LEU A 168 5.195 -9.274 -0.216 1.00 18.17 C +ATOM 1355 C LEU A 168 0.944 -8.437 -1.419 1.00 17.50 C +ATOM 1356 O LEU A 168 0.932 -8.418 -2.636 1.00 15.54 O +ATOM 1357 N ALA A 169 0.245 -9.313 -0.680 1.00 15.54 N +ATOM 1358 CA ALA A 169 -0.643 -10.315 -1.249 1.00 19.82 C +ATOM 1359 CB ALA A 169 -1.332 -11.102 -0.143 1.00 20.15 C +ATOM 1360 C ALA A 169 -1.698 -9.715 -2.178 1.00 17.04 C +ATOM 1361 O ALA A 169 -1.938 -10.229 -3.247 1.00 18.40 O +ATOM 1362 N VAL A 170 -2.356 -8.647 -1.720 1.00 16.33 N +ATOM 1363 CA VAL A 170 -3.389 -7.976 -2.502 1.00 15.30 C +ATOM 1364 CB VAL A 170 -3.990 -6.806 -1.708 1.00 15.13 C +ATOM 1365 CG1 VAL A 170 -4.709 -5.819 -2.610 1.00 17.24 C +ATOM 1366 CG2 VAL A 170 -4.949 -7.317 -0.691 1.00 17.75 C +ATOM 1367 C VAL A 170 -2.823 -7.466 -3.849 1.00 12.50 C +ATOM 1368 O VAL A 170 -3.435 -7.645 -4.890 1.00 15.58 O +ATOM 1369 N GLY A 171 -1.652 -6.834 -3.794 1.00 12.65 N +ATOM 1370 CA GLY A 171 -0.972 -6.306 -4.954 1.00 12.55 C +ATOM 1371 C GLY A 171 -0.666 -7.394 -5.979 1.00 12.05 C +ATOM 1372 O GLY A 171 -0.957 -7.269 -7.167 1.00 10.67 O +ATOM 1373 N LEU A 172 -0.032 -8.465 -5.506 1.00 12.60 N +ATOM 1374 CA LEU A 172 0.328 -9.595 -6.354 1.00 10.75 C +ATOM 1375 CB LEU A 172 1.052 -10.670 -5.554 1.00 10.43 C +ATOM 1376 CG LEU A 172 2.444 -10.231 -5.048 1.00 10.97 C +ATOM 1377 CD1 LEU A 172 3.068 -11.352 -4.219 1.00 10.41 C +ATOM 1378 CD2 LEU A 172 3.427 -9.740 -6.104 1.00 9.57 C +ATOM 1379 C LEU A 172 -0.913 -10.180 -7.027 1.00 10.15 C +ATOM 1380 O LEU A 172 -0.905 -10.472 -8.216 1.00 11.39 O +ATOM 1381 N ALA A 173 -1.988 -10.311 -6.252 1.00 11.33 N +ATOM 1382 CA ALA A 173 -3.220 -10.950 -6.681 1.00 11.38 C +ATOM 1383 CB ALA A 173 -4.119 -11.233 -5.467 1.00 11.60 C +ATOM 1384 C ALA A 173 -3.971 -10.124 -7.721 1.00 10.08 C +ATOM 1385 O ALA A 173 -4.545 -10.667 -8.641 1.00 6.75 O +ATOM 1386 N MET A 174 -4.022 -8.805 -7.512 1.00 11.63 N +ATOM 1387 CA MET A 174 -4.630 -7.921 -8.483 1.00 11.25 C +ATOM 1388 CB MET A 174 -4.822 -6.526 -7.911 1.00 12.02 C +ATOM 1389 CG MET A 174 -5.956 -6.449 -6.887 1.00 15.32 C +ATOM 1390 SD MET A 174 -6.047 -4.785 -6.163 1.00 15.04 S +ATOM 1391 CE MET A 174 -7.121 -3.976 -7.382 1.00 12.84 C +ATOM 1392 C MET A 174 -3.833 -7.881 -9.792 1.00 11.07 C +ATOM 1393 O MET A 174 -4.427 -7.776 -10.897 1.00 9.35 O +ATOM 1394 N ALA A 175 -2.498 -7.964 -9.668 1.00 11.79 N +ATOM 1395 CA ALA A 175 -1.603 -7.997 -10.827 1.00 11.52 C +ATOM 1396 CB ALA A 175 -0.134 -7.920 -10.395 1.00 12.52 C +ATOM 1397 C ALA A 175 -1.871 -9.244 -11.669 1.00 10.15 C +ATOM 1398 O ALA A 175 -1.958 -9.165 -12.872 1.00 9.36 O +ATOM 1399 N PHE A 176 -2.007 -10.382 -10.983 1.00 10.78 N +ATOM 1400 CA PHE A 176 -2.358 -11.679 -11.542 1.00 11.72 C +ATOM 1401 CB PHE A 176 -2.445 -12.732 -10.418 1.00 14.22 C +ATOM 1402 CG PHE A 176 -2.761 -14.091 -10.912 1.00 18.68 C +ATOM 1403 CD1 PHE A 176 -1.750 -14.951 -11.277 1.00 22.29 C +ATOM 1404 CE1 PHE A 176 -2.047 -16.194 -11.782 1.00 25.58 C +ATOM 1405 CZ PHE A 176 -3.362 -16.590 -11.931 1.00 24.53 C +ATOM 1406 CE2 PHE A 176 -4.380 -15.742 -11.574 1.00 25.31 C +ATOM 1407 CD2 PHE A 176 -4.076 -14.496 -11.066 1.00 23.15 C +ATOM 1408 C PHE A 176 -3.680 -11.619 -12.287 1.00 11.73 C +ATOM 1409 O PHE A 176 -3.774 -12.015 -13.462 1.00 11.14 O +ATOM 1410 N VAL A 177 -4.705 -11.112 -11.599 1.00 10.67 N +ATOM 1411 CA VAL A 177 -6.025 -10.972 -12.179 1.00 11.71 C +ATOM 1412 CB VAL A 177 -7.065 -10.455 -11.135 1.00 16.60 C +ATOM 1413 CG1 VAL A 177 -8.386 -10.024 -11.816 1.00 14.00 C +ATOM 1414 CG2 VAL A 177 -7.303 -11.520 -10.041 1.00 16.83 C +ATOM 1415 C VAL A 177 -5.962 -10.056 -13.401 1.00 8.91 C +ATOM 1416 O VAL A 177 -6.437 -10.424 -14.422 1.00 6.73 O +ATOM 1417 N ASP A 178 -5.336 -8.880 -13.272 1.00 9.91 N +ATOM 1418 CA ASP A 178 -5.197 -7.948 -14.398 1.00 10.55 C +ATOM 1419 CB ASP A 178 -4.608 -6.638 -13.976 1.00 9.42 C +ATOM 1420 CG ASP A 178 -5.508 -5.868 -13.045 1.00 12.66 C +ATOM 1421 OD1 ASP A 178 -6.660 -6.310 -12.846 1.00 10.80 O +ATOM 1422 OD2 ASP A 178 -5.084 -4.791 -12.520 1.00 9.20 O +ATOM 1423 C ASP A 178 -4.380 -8.495 -15.578 1.00 11.79 C +ATOM 1424 O ASP A 178 -4.586 -8.067 -16.709 1.00 11.79 O +ATOM 1425 N SER A 179 -3.502 -9.466 -15.305 1.00 15.85 N +ATOM 1426 CA SER A 179 -2.658 -10.101 -16.314 1.00 17.77 C +ATOM 1427 CB SER A 179 -1.473 -10.763 -15.642 1.00 18.19 C +ATOM 1428 OG SER A 179 -0.605 -9.801 -15.113 1.00 25.24 O +ATOM 1429 C SER A 179 -3.367 -11.185 -17.107 1.00 25.25 C +ATOM 1430 O SER A 179 -2.833 -11.682 -18.120 1.00 25.62 O +ATOM 1431 N LEU A 180 -4.540 -11.616 -16.632 1.00 26.63 N +ATOM 1432 CA LEU A 180 -5.271 -12.636 -17.357 1.00 29.49 C +ATOM 1433 CB LEU A 180 -6.304 -13.306 -16.460 1.00 27.08 C +ATOM 1434 CG LEU A 180 -5.711 -14.207 -15.380 1.00 25.36 C +ATOM 1435 CD1 LEU A 180 -6.841 -14.759 -14.534 1.00 29.68 C +ATOM 1436 CD2 LEU A 180 -4.903 -15.344 -15.972 1.00 25.61 C +ATOM 1437 C LEU A 180 -5.867 -12.022 -18.639 1.00 36.61 C +ATOM 1438 O LEU A 180 -5.913 -12.692 -19.694 1.00 32.04 O +ATOM 1439 N ASN A 181 -6.262 -10.741 -18.544 1.00 38.78 N +ATOM 1440 CA ASN A 181 -6.744 -9.952 -19.686 1.00 54.97 C +ATOM 1441 CB ASN A 181 -7.402 -8.636 -19.225 1.00 67.37 C +ATOM 1442 CG ASN A 181 -8.421 -8.825 -18.095 1.00 73.12 C +ATOM 1443 OD1 ASN A 181 -9.609 -9.072 -18.334 1.00 52.00 O +ATOM 1444 ND2 ASN A 181 -7.961 -8.669 -16.856 1.00 60.66 N +ATOM 1445 C ASN A 181 -5.609 -9.615 -20.685 1.00 76.54 C +ATOM 1446 O ASN A 181 -4.557 -9.068 -20.289 1.00 63.45 O +ATOM 1447 N ALA A 182 -5.846 -9.945 -21.969 1.00 63.44 N +ATOM 1448 CA ALA A 182 -4.904 -9.757 -23.085 1.00 54.25 C +ATOM 1449 CB ALA A 182 -4.912 -8.312 -23.569 1.00 52.80 C +ATOM 1450 C ALA A 182 -3.480 -10.202 -22.749 1.00 57.61 C +ATOM 1451 O ALA A 182 -3.280 -11.181 -22.028 1.00 50.41 O +TER 1452 ALA A 182 +END diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/TMRs.gff3 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/TMRs.gff3 new file mode 100644 index 0000000..d5a22b3 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/TMRs.gff3 @@ -0,0 +1,16 @@ +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/deeptmhmm_results.md b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/deeptmhmm_results.md new file mode 100644 index 0000000..a8d131c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/deeptmhmm_results.md @@ -0,0 +1,32 @@ +## DeepTMHMM - Predictions +Predicted topologies can be downloaded in [.gff3 format](TMRs.gff3) and [.3line format](predicted_topologies.3line) +![picture](plot.png) +You can download the probabilities used to generate this plot [here](input_probs.csv) +### Predicted Topologies +``` +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII + +``` + + +``` +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 + +``` diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/input_probs.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/input_probs.csv new file mode 100644 index 0000000..dcaeb2b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/input_probs.csv @@ -0,0 +1,184 @@ +# input +#AA,Beta,Periplasm,Membrane,Inside,Outside,Signal +0 E,0.0,0.0,0.0,0.99942,0.00023,0.0 +1 R,0.0,0.0,0.00018,0.99921,0.00023,0.0 +2 A,0.0,0.0,0.01323,0.98618,0.00019,0.0 +3 G,0.0,0.0,0.10431,0.89527,2e-05,0.0 +4 P,0.0,0.0,0.47862,0.52095,0.0,0.0 +5 V,0.0,0.0,0.85568,0.14391,0.0,0.0 +6 T,0.0,0.0,0.90611,0.09348,0.0,0.0 +7 W,0.0,0.0,0.98479,0.0148,0.0,0.0 +8 V,0.0,0.0,0.99921,0.00038,0.0,0.0 +9 M,0.0,0.0,0.99955,3e-05,0.0,0.0 +10 M,0.0,0.0,0.99958,0.0,0.0,0.0 +11 I,0.0,0.0,0.99957,0.0,0.0,0.0 +12 A,0.0,0.0,0.99955,0.0,0.0,0.0 +13 C,0.0,0.0,0.99933,0.00021,0.0,0.0 +14 V,0.0,0.0,0.9995,2e-05,0.0,0.0 +15 V,0.0,0.0,0.99953,0.0,0.0,0.0 +16 V,0.0,0.0,0.99953,0.0,0.0,0.0 +17 F,0.0,0.0,0.99953,0.0,0.0,0.0 +18 I,0.0,0.0,0.99954,0.0,0.0,0.0 +19 A,0.0,0.0,0.99956,0.0,0.0,0.0 +20 M,0.0,0.0,0.99948,0.0,5e-05,0.0 +21 Q,0.0,0.0,0.99788,0.0,0.00164,0.0 +22 I,0.0,0.0,0.99017,0.0,0.00935,0.0 +23 L,0.0,0.0,0.86894,0.0,0.13061,0.0 +24 G,0.0,0.0,0.22113,0.0,0.7784,0.0 +25 D,0.0,0.0,0.00531,0.0,0.99422,0.0 +26 Q,0.0,0.0,4e-05,0.0,0.99948,0.0 +27 E,0.0,0.0,0.0,0.0,0.99954,0.0 +28 V,0.0,0.0,0.0,0.0,0.99954,0.0 +29 M,0.0,0.0,0.0,0.0,0.99957,0.0 +30 L,0.0,0.0,0.0,0.0,0.99957,0.0 +31 W,0.0,0.0,0.0,0.0,0.9996,0.0 +32 L,0.0,0.0,0.0,0.0,0.9996,0.0 +33 A,0.0,0.0,0.0,0.0,0.9996,0.0 +34 W,0.0,0.0,0.0,0.0,0.9996,0.0 +35 P,0.0,0.0,0.0,0.0,0.99963,0.0 +36 F,0.0,0.0,0.0,0.0,0.99963,0.0 +37 D,0.0,0.0,0.0,0.0,0.99966,0.0 +38 P,0.0,0.0,0.0,0.0,0.99966,0.0 +39 T,0.0,0.0,0.0,0.0,0.99969,0.0 +40 L,0.0,0.0,0.0,0.0,0.99969,0.0 +41 K,0.0,0.0,0.0,0.0,0.99969,0.0 +42 F,0.0,0.0,0.0,0.0,0.99969,0.0 +43 E,0.0,0.0,0.0,0.0,0.99969,0.0 +44 F,0.0,0.0,0.0,0.0,0.99973,0.0 +45 W,0.0,0.0,0.0,0.0,0.99976,0.0 +46 R,0.0,0.0,0.0,0.0,0.99976,0.0 +47 Y,0.0,0.0,3e-05,0.0,0.99973,0.0 +48 F,0.0,0.0,0.00047,0.0,0.99933,0.0 +49 T,0.0,0.0,0.00101,0.0,0.99878,0.0 +50 H,0.0,0.0,0.00757,0.0,0.99222,0.0 +51 A,0.0,0.0,0.82764,0.0,0.17215,0.0 +52 L,0.0,0.0,0.95624,0.0,0.04355,0.0 +53 M,0.0,0.0,0.99341,0.0,0.00638,0.0 +54 H,0.0,0.0,0.99423,0.0,0.00556,0.0 +55 F,0.0,0.0,0.99756,0.0,0.00223,0.0 +56 S,0.0,0.0,0.99919,0.0,0.00061,0.0 +57 L,0.0,0.0,0.99975,0.0,6e-05,0.0 +58 M,0.0,0.0,0.9998,0.0,1e-05,0.0 +59 H,0.0,0.0,0.99983,0.0,1e-05,0.0 +60 I,0.0,0.0,0.99982,0.0,0.0,0.0 +61 L,0.0,0.0,0.99983,0.0,0.0,0.0 +62 F,0.0,0.0,0.99984,0.0,0.0,0.0 +63 N,0.0,0.0,0.99985,0.0,0.0,0.0 +64 L,0.0,0.0,0.99985,0.0,0.0,0.0 +65 L,0.0,0.0,0.99985,0.0,0.0,0.0 +66 W,0.0,0.0,0.99985,0.0,0.0,0.0 +67 W,0.0,0.0,0.99984,0.0,0.0,0.0 +68 W,0.0,0.0,0.99986,0.0,0.0,0.0 +69 Y,0.0,0.0,0.99975,0.00012,0.0,0.0 +70 L,0.0,0.0,0.99906,0.00081,0.0,0.0 +71 G,0.0,0.0,0.96325,0.03665,0.0,0.0 +72 G,0.0,0.0,0.3354,0.66448,0.0,0.0 +73 A,0.0,0.0,0.1112,0.88869,0.0,0.0 +74 V,0.0,0.0,0.06311,0.93678,0.0,0.0 +75 E,0.0,0.0,0.00376,0.99613,0.0,0.0 +76 K,0.0,0.0,0.00011,0.99979,0.0,0.0 +77 R,0.0,0.0,0.00184,0.99805,0.0,0.0 +78 L,0.0,0.0,0.38413,0.61574,0.0,0.0 +79 G,0.0,0.0,0.47768,0.52219,0.0,0.0 +80 S,0.0,0.0,0.85069,0.14919,0.0,0.0 +81 G,0.0,0.0,0.965,0.03489,0.0,0.0 +82 K,0.0,0.0,0.98313,0.01673,0.0,0.0 +83 L,0.0,0.0,0.9996,0.00027,0.0,0.0 +84 I,0.0,0.0,0.99987,0.0,0.0,0.0 +85 V,0.0,0.0,0.99988,0.0,0.0,0.0 +86 I,0.0,0.0,0.99988,0.0,0.0,0.0 +87 T,0.0,0.0,0.99989,0.0,0.0,0.0 +88 L,0.0,0.0,0.99988,0.0,0.0,0.0 +89 I,0.0,0.0,0.9999,0.0,0.0,0.0 +90 S,0.0,0.0,0.9999,0.0,0.0,0.0 +91 A,0.0,0.0,0.9999,0.0,0.0,0.0 +92 L,0.0,0.0,0.9999,0.0,0.0,0.0 +93 L,0.0,0.0,0.99989,0.0,1e-05,0.0 +94 S,0.0,0.0,0.99981,0.0,9e-05,0.0 +95 G,0.0,0.0,0.9998,0.0,9e-05,0.0 +96 Y,0.0,0.0,0.99941,0.0,0.00048,0.0 +97 V,0.0,0.0,0.99939,0.0,0.00051,0.0 +98 Q,0.0,0.0,0.93936,0.0,0.06053,0.0 +99 Q,0.0,0.0,0.24375,0.0,0.75613,0.0 +100 K,0.0,0.0,0.03911,0.0,0.96078,0.0 +101 F,0.0,0.0,0.98924,0.0,0.01066,0.0 +102 S,0.0,0.0,0.99245,0.0,0.00745,0.0 +103 G,0.0,0.0,0.99699,0.0,0.00291,0.0 +104 P,0.0,0.0,0.99648,0.0,0.00342,0.0 +105 W,0.0,0.0,0.99983,0.0,7e-05,0.0 +106 F,0.0,0.0,0.99986,0.0,1e-05,0.0 +107 G,0.0,0.0,0.99925,0.0,0.00065,0.0 +108 G,0.0,0.0,0.9998,0.0,8e-05,0.0 +109 L,0.0,0.0,0.9999,0.0,1e-05,0.0 +110 S,0.0,0.0,0.99953,1e-05,0.00035,0.0 +111 G,0.0,0.0,0.99985,2e-05,2e-05,0.0 +112 V,0.0,0.0,0.99989,0.0,0.0,0.0 +113 V,0.0,0.0,0.99988,0.0,0.0,0.0 +114 Y,0.0,0.0,0.99988,0.0,0.0,0.0 +115 A,0.0,0.0,0.99988,0.0,0.0,0.0 +116 L,0.0,0.0,0.99987,0.0,0.0,0.0 +117 M,0.0,0.0,0.99987,1e-05,0.0,0.0 +118 G,0.0,0.0,0.99981,7e-05,0.0,0.0 +119 Y,0.0,0.0,0.99732,0.00256,0.0,0.0 +120 V,0.0,0.0,0.99158,0.0083,0.0,0.0 +121 W,0.0,0.0,0.93268,0.0672,0.0,0.0 +122 L,0.0,0.0,0.15644,0.84342,3e-05,0.0 +123 R,0.0,0.0,0.00317,0.99665,4e-05,0.0 +124 G,0.0,0.0,0.00106,0.99878,4e-05,0.0 +125 E,0.0,0.0,1e-05,0.99982,4e-05,0.0 +126 R,0.0,0.0,0.0,0.99982,4e-05,0.0 +127 D,0.0,0.0,0.0,0.99982,4e-05,0.0 +128 P,0.0,0.0,0.0,0.99982,4e-05,0.0 +129 Q,0.0,0.0,6e-05,0.99976,4e-05,0.0 +130 S,0.0,0.0,0.00693,0.99288,4e-05,0.0 +131 G,0.0,0.0,0.05276,0.94707,4e-05,0.0 +132 I,0.0,0.0,0.8213,0.17857,1e-05,0.0 +133 Y,0.0,0.0,0.9559,0.04397,0.0,0.0 +134 L,0.0,0.0,0.9974,0.00247,0.0,0.0 +135 Q,0.0,0.0,0.99838,0.0015,0.0,0.0 +136 R,0.0,0.0,0.9993,0.00058,0.0,0.0 +137 G,0.0,0.0,0.99986,1e-05,0.0,0.0 +138 L,0.0,0.0,0.99986,0.0,0.0,0.0 +139 I,0.0,0.0,0.99987,0.0,0.0,0.0 +140 I,0.0,0.0,0.99988,0.0,0.0,0.0 +141 F,0.0,0.0,0.99987,0.0,0.0,0.0 +142 A,0.0,0.0,0.99988,0.0,0.0,0.0 +143 L,0.0,0.0,0.99989,0.0,0.0,0.0 +144 I,0.0,0.0,0.99986,0.0,0.0,0.0 +145 W,0.0,0.0,0.9999,0.0,0.0,0.0 +146 I,0.0,0.0,0.9999,0.0,0.0,0.0 +147 V,0.0,0.0,0.9999,0.0,0.0,0.0 +148 A,0.0,0.0,0.99993,0.0,0.0,0.0 +149 G,0.0,0.0,0.99993,0.0,0.0,0.0 +150 W,0.0,0.0,0.99993,0.0,0.0,0.0 +151 F,0.0,0.0,0.99995,0.0,0.0,0.0 +152 D,0.0,0.0,0.99972,0.0,0.00024,0.0 +153 L,0.0,0.0,0.99628,0.0,0.00365,0.0 +154 F,0.0,0.0,0.94253,0.0,0.05742,0.0 +155 G,0.0,0.0,0.03863,4e-05,0.96128,0.0 +156 M,0.0,0.0,0.008,4e-05,0.99192,0.0 +157 S,0.0,0.0,0.00504,4e-05,0.99486,0.0 +158 M,0.0,0.0,0.11294,4e-05,0.88695,0.0 +159 A,0.0,0.0,0.87755,0.0,0.12238,0.0 +160 N,0.0,0.0,0.96141,0.0,0.03852,0.0 +161 G,0.0,0.0,0.99314,0.0,0.00677,0.0 +162 A,0.0,0.0,0.99957,0.0,0.00033,0.0 +163 H,0.0,0.0,0.9999,0.0,1e-05,0.0 +164 I,0.0,0.0,0.99991,0.0,0.0,0.0 +165 A,0.0,0.0,0.99989,0.0,0.0,0.0 +166 G,0.0,0.0,0.99989,0.0,0.0,0.0 +167 L,0.0,0.0,0.9999,0.0,0.0,0.0 +168 A,0.0,0.0,0.99989,0.0,0.0,0.0 +169 V,0.0,0.0,0.99987,4e-05,0.0,0.0 +170 G,0.0,0.0,0.9997,0.0002,0.0,0.0 +171 L,0.0,0.0,0.99991,0.0,0.0,0.0 +172 A,0.0,0.0,0.99991,0.0,0.0,0.0 +173 M,0.0,0.0,0.99992,0.0,0.0,0.0 +174 A,0.0,0.0,0.99992,0.0,0.0,0.0 +175 F,0.0,0.0,0.99984,9e-05,0.0,0.0 +176 V,0.0,0.0,0.99651,0.00345,0.0,0.0 +177 D,0.0,0.0,0.82865,0.1713,0.0,0.0 +178 S,0.0,0.0,0.68727,0.31267,0.0,0.0 +179 L,0.0,0.0,0.48774,0.5122,1e-05,0.0 +180 N,0.0,0.0,0.17987,0.82007,4e-05,0.0 +181 A,0.0,0.0,0.0,0.99973,0.00028,0.0 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/predicted_topologies.3line b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/predicted_topologies.3line new file mode 100644 index 0000000..98389e8 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/predicted_topologies.3line @@ -0,0 +1,3 @@ +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/query.fasta b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/query.fasta new file mode 100644 index 0000000..07711f2 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/A/query.fasta @@ -0,0 +1,2 @@ +> input +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A.span new file mode 100644 index 0000000..e93c5af --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A.span @@ -0,0 +1,10 @@ +manual-generated spanfile from DeepTMHMM +6 182 +antiparallel +n2c + 6 24 + 52 72 + 79 99 + 102 122 + 133 155 + 160 180 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/input.pdb new file mode 100644 index 0000000..3168a3a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/input.pdb @@ -0,0 +1,1453 @@ +ATOM 1 N GLU A 1 4.380 17.924 -15.176 1.00 43.35 N +ATOM 2 CA GLU A 1 3.896 17.224 -13.952 1.00 55.59 C +ATOM 3 CB GLU A 1 2.388 17.408 -13.815 1.00 53.53 C +ATOM 4 CG GLU A 1 1.872 17.441 -12.391 1.00 34.05 C +ATOM 5 CD GLU A 1 0.404 17.742 -12.405 1.00 37.82 C +ATOM 6 OE1 GLU A 1 -0.368 16.783 -12.568 1.00 53.50 O +ATOM 7 OE2 GLU A 1 0.018 18.929 -12.304 1.00 36.54 O +ATOM 8 C GLU A 1 4.267 15.736 -13.951 1.00 46.53 C +ATOM 9 O GLU A 1 5.331 15.372 -14.468 1.00 50.24 O +ATOM 10 N ARG A 2 3.381 14.901 -13.386 1.00 38.93 N +ATOM 11 CA ARG A 2 3.672 13.516 -12.988 1.00 54.74 C +ATOM 12 CB ARG A 2 4.985 13.447 -12.152 1.00 50.45 C +ATOM 13 CG ARG A 2 5.153 12.281 -11.170 1.00 57.12 C +ATOM 14 CD ARG A 2 6.103 11.187 -11.647 1.00 57.44 C +ATOM 15 NE ARG A 2 5.685 9.836 -11.225 1.00 52.68 N +ATOM 16 CZ ARG A 2 6.224 8.706 -11.695 1.00 48.62 C +ATOM 17 NH1 ARG A 2 7.226 8.735 -12.586 1.00 54.86 N +ATOM 18 NH2 ARG A 2 5.783 7.532 -11.272 1.00 28.66 N +ATOM 19 C ARG A 2 2.450 12.956 -12.225 1.00 66.99 C +ATOM 20 O ARG A 2 1.747 12.086 -12.739 1.00 85.13 O +ATOM 21 N ALA A 3 2.206 13.477 -11.012 1.00 43.05 N +ATOM 22 CA ALA A 3 1.107 13.045 -10.131 1.00 41.35 C +ATOM 23 CB ALA A 3 1.329 13.583 -8.695 1.00 34.83 C +ATOM 24 C ALA A 3 -0.306 13.473 -10.625 1.00 29.58 C +ATOM 25 O ALA A 3 -0.636 14.670 -10.594 1.00 21.07 O +ATOM 26 N GLY A 4 -1.124 12.494 -11.045 1.00 20.97 N +ATOM 27 CA GLY A 4 -2.550 12.686 -11.224 1.00 16.58 C +ATOM 28 C GLY A 4 -3.257 13.042 -9.911 1.00 18.06 C +ATOM 29 O GLY A 4 -2.664 13.030 -8.823 1.00 16.28 O +ATOM 30 N PRO A 5 -4.579 13.320 -9.958 1.00 12.89 N +ATOM 31 CA PRO A 5 -5.304 13.785 -8.773 1.00 10.80 C +ATOM 32 CB PRO A 5 -6.734 14.059 -9.314 1.00 10.45 C +ATOM 33 CG PRO A 5 -6.807 13.269 -10.579 1.00 9.74 C +ATOM 34 CD PRO A 5 -5.430 13.190 -11.151 1.00 10.46 C +ATOM 35 C PRO A 5 -5.352 12.798 -7.634 1.00 11.27 C +ATOM 36 O PRO A 5 -5.394 13.220 -6.491 1.00 13.59 O +ATOM 37 N VAL A 6 -5.414 11.496 -7.922 1.00 9.93 N +ATOM 38 CA VAL A 6 -5.510 10.540 -6.832 1.00 12.26 C +ATOM 39 CB VAL A 6 -5.921 9.142 -7.312 1.00 17.71 C +ATOM 40 CG1 VAL A 6 -5.861 8.139 -6.165 1.00 14.58 C +ATOM 41 CG2 VAL A 6 -7.320 9.187 -7.929 1.00 17.43 C +ATOM 42 C VAL A 6 -4.162 10.478 -6.127 1.00 10.99 C +ATOM 43 O VAL A 6 -4.089 10.549 -4.900 1.00 8.01 O +ATOM 44 N THR A 7 -3.084 10.375 -6.915 1.00 10.58 N +ATOM 45 CA THR A 7 -1.731 10.431 -6.338 1.00 12.65 C +ATOM 46 CB THR A 7 -0.664 10.439 -7.419 1.00 11.06 C +ATOM 47 OG1 THR A 7 -0.805 9.237 -8.216 1.00 10.95 O +ATOM 48 CG2 THR A 7 0.697 10.479 -6.726 1.00 11.91 C +ATOM 49 C THR A 7 -1.543 11.639 -5.413 1.00 13.19 C +ATOM 50 O THR A 7 -1.058 11.520 -4.300 1.00 10.71 O +ATOM 51 N TRP A 8 -2.027 12.792 -5.886 1.00 13.70 N +ATOM 52 CA TRP A 8 -1.882 14.073 -5.213 1.00 14.00 C +ATOM 53 CB TRP A 8 -2.279 15.132 -6.214 1.00 11.57 C +ATOM 54 CG TRP A 8 -2.343 16.504 -5.772 1.00 14.97 C +ATOM 55 CD1 TRP A 8 -3.405 17.341 -5.917 1.00 16.81 C +ATOM 56 NE1 TRP A 8 -3.101 18.583 -5.477 1.00 18.90 N +ATOM 57 CE2 TRP A 8 -1.811 18.586 -5.019 1.00 22.92 C +ATOM 58 CD2 TRP A 8 -1.300 17.284 -5.203 1.00 20.29 C +ATOM 59 CE3 TRP A 8 0.014 17.018 -4.829 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 0.765 18.044 -4.252 1.00 29.87 C +ATOM 61 CH2 TRP A 8 0.231 19.341 -4.087 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 -1.049 19.632 -4.462 1.00 23.41 C +ATOM 63 C TRP A 8 -2.730 14.179 -3.951 1.00 11.19 C +ATOM 64 O TRP A 8 -2.261 14.618 -2.913 1.00 9.21 O +ATOM 65 N VAL A 9 -4.004 13.821 -4.063 1.00 10.48 N +ATOM 66 CA VAL A 9 -4.901 14.010 -2.962 1.00 13.92 C +ATOM 67 CB VAL A 9 -6.384 13.867 -3.364 1.00 19.41 C +ATOM 68 CG1 VAL A 9 -7.269 13.721 -2.133 1.00 25.01 C +ATOM 69 CG2 VAL A 9 -6.809 15.081 -4.144 1.00 20.11 C +ATOM 70 C VAL A 9 -4.493 13.124 -1.778 1.00 10.13 C +ATOM 71 O VAL A 9 -4.557 13.548 -0.666 1.00 7.20 O +ATOM 72 N MET A 10 -4.026 11.906 -2.046 1.00 10.15 N +ATOM 73 CA MET A 10 -3.566 11.054 -0.969 1.00 11.00 C +ATOM 74 CB MET A 10 -3.181 9.713 -1.563 1.00 14.36 C +ATOM 75 CG MET A 10 -2.397 8.800 -0.624 1.00 16.11 C +ATOM 76 SD MET A 10 -3.393 8.267 0.783 1.00 21.05 S +ATOM 77 CE MET A 10 -4.545 7.153 0.009 1.00 21.21 C +ATOM 78 C MET A 10 -2.351 11.684 -0.222 1.00 13.64 C +ATOM 79 O MET A 10 -2.227 11.526 1.010 1.00 12.82 O +ATOM 80 N MET A 11 -1.422 12.302 -0.986 1.00 12.90 N +ATOM 81 CA MET A 11 -0.214 12.978 -0.438 1.00 14.44 C +ATOM 82 CB MET A 11 0.704 13.470 -1.567 1.00 12.49 C +ATOM 83 CG MET A 11 1.428 12.320 -2.250 1.00 14.38 C +ATOM 84 SD MET A 11 2.386 12.677 -3.757 1.00 14.01 S +ATOM 85 CE MET A 11 3.976 13.088 -3.023 1.00 15.48 C +ATOM 86 C MET A 11 -0.629 14.143 0.459 1.00 13.69 C +ATOM 87 O MET A 11 -0.228 14.229 1.610 1.00 13.74 O +ATOM 88 N ILE A 12 -1.481 15.008 -0.083 1.00 12.10 N +ATOM 89 CA ILE A 12 -2.049 16.103 0.664 1.00 17.28 C +ATOM 90 CB ILE A 12 -3.100 16.825 -0.202 1.00 20.77 C +ATOM 91 CG1 ILE A 12 -2.401 17.671 -1.234 1.00 26.59 C +ATOM 92 CD1 ILE A 12 -3.359 18.231 -2.287 1.00 37.38 C +ATOM 93 CG2 ILE A 12 -4.029 17.681 0.651 1.00 23.33 C +ATOM 94 C ILE A 12 -2.697 15.597 1.966 1.00 13.47 C +ATOM 95 O ILE A 12 -2.426 16.088 3.061 1.00 14.37 O +ATOM 96 N ALA A 13 -3.560 14.591 1.828 1.00 14.13 N +ATOM 97 CA ALA A 13 -4.288 14.023 2.939 1.00 11.62 C +ATOM 98 CB ALA A 13 -5.221 12.952 2.470 1.00 10.69 C +ATOM 99 C ALA A 13 -3.364 13.479 4.025 1.00 13.08 C +ATOM 100 O ALA A 13 -3.597 13.728 5.185 1.00 14.09 O +ATOM 101 N CYS A 14 -2.306 12.756 3.632 1.00 12.24 N +ATOM 102 CA CYS A 14 -1.334 12.232 4.598 1.00 14.03 C +ATOM 103 CB CYS A 14 -0.343 11.275 3.893 1.00 12.92 C +ATOM 104 SG CYS A 14 -1.073 9.684 3.499 1.00 12.25 S +ATOM 105 C CYS A 14 -0.548 13.355 5.340 1.00 12.57 C +ATOM 106 O CYS A 14 -0.250 13.252 6.541 1.00 9.48 O +ATOM 107 N VAL A 15 -0.234 14.425 4.607 1.00 9.94 N +ATOM 108 CA VAL A 15 0.485 15.525 5.184 1.00 11.41 C +ATOM 109 CB VAL A 15 1.040 16.443 4.116 1.00 11.06 C +ATOM 110 CG1 VAL A 15 1.632 17.660 4.791 1.00 10.96 C +ATOM 111 CG2 VAL A 15 2.110 15.683 3.291 1.00 10.71 C +ATOM 112 C VAL A 15 -0.390 16.273 6.189 1.00 13.34 C +ATOM 113 O VAL A 15 0.037 16.552 7.323 1.00 9.03 O +ATOM 114 N VAL A 16 -1.626 16.563 5.784 1.00 13.58 N +ATOM 115 CA VAL A 16 -2.582 17.233 6.681 1.00 18.01 C +ATOM 116 CB VAL A 16 -3.922 17.515 5.965 1.00 16.91 C +ATOM 117 CG1 VAL A 16 -4.978 17.959 6.944 1.00 20.52 C +ATOM 118 CG2 VAL A 16 -3.744 18.613 4.940 1.00 15.20 C +ATOM 119 C VAL A 16 -2.791 16.412 7.975 1.00 12.72 C +ATOM 120 O VAL A 16 -2.794 16.962 9.062 1.00 10.60 O +ATOM 121 N VAL A 17 -2.983 15.096 7.833 1.00 11.76 N +ATOM 122 CA VAL A 17 -3.165 14.255 8.981 1.00 11.25 C +ATOM 123 CB VAL A 17 -3.573 12.835 8.617 1.00 11.66 C +ATOM 124 CG1 VAL A 17 -3.614 11.951 9.893 1.00 11.72 C +ATOM 125 CG2 VAL A 17 -4.943 12.838 7.947 1.00 13.31 C +ATOM 126 C VAL A 17 -1.902 14.258 9.886 1.00 10.41 C +ATOM 127 O VAL A 17 -2.006 14.339 11.091 1.00 7.15 O +ATOM 128 N PHE A 18 -0.720 14.223 9.267 1.00 9.81 N +ATOM 129 CA PHE A 18 0.534 14.235 9.999 1.00 8.70 C +ATOM 130 CB PHE A 18 1.695 14.083 9.002 1.00 9.07 C +ATOM 131 CG PHE A 18 3.024 13.806 9.663 1.00 9.17 C +ATOM 132 CD1 PHE A 18 3.260 12.581 10.295 1.00 9.97 C +ATOM 133 CE1 PHE A 18 4.483 12.316 10.894 1.00 11.77 C +ATOM 134 CZ PHE A 18 5.472 13.275 10.892 1.00 11.90 C +ATOM 135 CE2 PHE A 18 5.238 14.487 10.255 1.00 12.88 C +ATOM 136 CD2 PHE A 18 4.004 14.734 9.648 1.00 9.87 C +ATOM 137 C PHE A 18 0.682 15.508 10.834 1.00 8.93 C +ATOM 138 O PHE A 18 1.157 15.482 11.972 1.00 9.10 O +ATOM 139 N ILE A 19 0.304 16.648 10.243 1.00 8.90 N +ATOM 140 CA ILE A 19 0.315 17.917 10.917 1.00 8.28 C +ATOM 141 CB ILE A 19 -0.088 19.041 9.962 1.00 9.07 C +ATOM 142 CG1 ILE A 19 1.039 19.280 8.957 1.00 8.90 C +ATOM 143 CD1 ILE A 19 0.719 20.346 7.925 1.00 10.23 C +ATOM 144 CG2 ILE A 19 -0.337 20.329 10.731 1.00 9.09 C +ATOM 145 C ILE A 19 -0.627 17.906 12.134 1.00 8.37 C +ATOM 146 O ILE A 19 -0.251 18.322 13.255 1.00 7.02 O +ATOM 147 N ALA A 20 -1.846 17.415 11.914 1.00 8.61 N +ATOM 148 CA ALA A 20 -2.819 17.292 12.971 1.00 8.46 C +ATOM 149 CB ALA A 20 -4.076 16.643 12.443 1.00 6.88 C +ATOM 150 C ALA A 20 -2.227 16.438 14.121 1.00 9.83 C +ATOM 151 O ALA A 20 -2.456 16.731 15.313 1.00 10.17 O +ATOM 152 N MET A 21 -1.519 15.355 13.754 1.00 8.36 N +ATOM 153 CA MET A 21 -0.931 14.472 14.711 1.00 7.84 C +ATOM 154 CB MET A 21 -0.375 13.217 14.019 1.00 10.18 C +ATOM 155 CG MET A 21 -1.422 12.329 13.402 1.00 9.75 C +ATOM 156 SD MET A 21 -0.788 10.889 12.514 1.00 11.62 S +ATOM 157 CE MET A 21 -0.317 9.895 13.939 1.00 11.65 C +ATOM 158 C MET A 21 0.149 15.212 15.504 1.00 8.45 C +ATOM 159 O MET A 21 0.309 14.980 16.707 1.00 9.99 O +ATOM 160 N GLN A 22 0.893 16.123 14.861 1.00 8.76 N +ATOM 161 CA GLN A 22 1.959 16.871 15.611 1.00 8.75 C +ATOM 162 CB GLN A 22 2.981 17.595 14.703 1.00 8.72 C +ATOM 163 CG GLN A 22 3.639 16.757 13.598 1.00 13.04 C +ATOM 164 CD GLN A 22 4.001 15.327 14.026 1.00 12.79 C +ATOM 165 OE1 GLN A 22 4.847 15.146 14.896 1.00 11.44 O +ATOM 166 NE2 GLN A 22 3.347 14.316 13.425 1.00 13.13 N +ATOM 167 C GLN A 22 1.379 17.897 16.603 1.00 8.93 C +ATOM 168 O GLN A 22 1.968 18.175 17.615 1.00 9.72 O +ATOM 169 N ILE A 23 0.235 18.489 16.268 1.00 8.82 N +ATOM 170 CA ILE A 23 -0.402 19.500 17.090 1.00 8.84 C +ATOM 171 CB ILE A 23 -1.442 20.291 16.250 1.00 10.62 C +ATOM 172 CG1 ILE A 23 -0.745 21.081 15.118 1.00 13.09 C +ATOM 173 CD1 ILE A 23 -1.715 21.559 14.046 1.00 14.05 C +ATOM 174 CG2 ILE A 23 -2.266 21.226 17.126 1.00 8.45 C +ATOM 175 C ILE A 23 -1.135 18.835 18.247 1.00 8.69 C +ATOM 176 O ILE A 23 -0.964 19.180 19.397 1.00 8.45 O +ATOM 177 N LEU A 24 -1.986 17.867 17.909 1.00 9.04 N +ATOM 178 CA LEU A 24 -2.901 17.218 18.842 1.00 9.19 C +ATOM 179 CB LEU A 24 -4.114 16.779 18.051 1.00 9.90 C +ATOM 180 CG LEU A 24 -4.984 17.857 17.398 1.00 12.76 C +ATOM 181 CD1 LEU A 24 -6.171 17.214 16.670 1.00 13.73 C +ATOM 182 CD2 LEU A 24 -5.450 18.870 18.454 1.00 13.72 C +ATOM 183 C LEU A 24 -2.296 15.978 19.565 1.00 10.54 C +ATOM 184 O LEU A 24 -2.837 15.515 20.595 1.00 10.70 O +ATOM 185 N GLY A 25 -1.198 15.436 19.003 1.00 9.22 N +ATOM 186 CA GLY A 25 -0.608 14.199 19.465 1.00 8.44 C +ATOM 187 C GLY A 25 -1.221 13.054 18.677 1.00 7.11 C +ATOM 188 O GLY A 25 -2.352 13.112 18.194 1.00 8.08 O +ATOM 189 N ASP A 26 -0.433 12.005 18.485 1.00 7.41 N +ATOM 190 CA ASP A 26 -0.871 10.810 17.752 1.00 8.57 C +ATOM 191 CB ASP A 26 0.221 9.755 17.815 1.00 8.77 C +ATOM 192 CG ASP A 26 1.487 10.154 17.034 1.00 11.15 C +ATOM 193 OD1 ASP A 26 1.530 11.258 16.388 1.00 9.80 O +ATOM 194 OD2 ASP A 26 2.457 9.359 17.127 1.00 13.47 O +ATOM 195 C ASP A 26 -2.169 10.166 18.258 1.00 8.19 C +ATOM 196 O ASP A 26 -3.030 9.777 17.474 1.00 7.73 O +ATOM 197 N GLN A 27 -2.308 10.063 19.582 1.00 9.65 N +ATOM 198 CA GLN A 27 -3.384 9.248 20.141 1.00 10.93 C +ATOM 199 CB GLN A 27 -3.069 8.667 21.552 1.00 12.23 C +ATOM 200 CG GLN A 27 -2.099 9.373 22.514 1.00 14.65 C +ATOM 201 CD GLN A 27 -0.731 9.768 21.951 1.00 13.37 C +ATOM 202 OE1 GLN A 27 -0.422 10.937 21.882 1.00 10.98 O +ATOM 203 NE2 GLN A 27 0.085 8.792 21.565 1.00 18.13 N +ATOM 204 C GLN A 27 -4.771 9.943 20.007 1.00 10.39 C +ATOM 205 O GLN A 27 -5.788 9.276 19.857 1.00 8.26 O +ATOM 206 N GLU A 28 -4.787 11.282 20.022 1.00 9.56 N +ATOM 207 CA GLU A 28 -6.010 12.060 19.729 1.00 8.86 C +ATOM 208 CB GLU A 28 -5.778 13.542 19.958 1.00 10.52 C +ATOM 209 CG GLU A 28 -6.975 14.426 19.664 1.00 12.28 C +ATOM 210 CD GLU A 28 -8.185 14.081 20.490 1.00 13.68 C +ATOM 211 OE1 GLU A 28 -8.052 13.622 21.637 1.00 16.22 O +ATOM 212 OE2 GLU A 28 -9.284 14.276 19.987 1.00 18.20 O +ATOM 213 C GLU A 28 -6.455 11.848 18.294 1.00 7.50 C +ATOM 214 O GLU A 28 -7.629 11.751 18.041 1.00 6.97 O +ATOM 215 N VAL A 29 -5.509 11.749 17.358 1.00 7.10 N +ATOM 216 CA VAL A 29 -5.840 11.493 15.970 1.00 7.74 C +ATOM 217 CB VAL A 29 -4.775 11.960 14.948 1.00 7.94 C +ATOM 218 CG1 VAL A 29 -5.242 11.694 13.503 1.00 8.07 C +ATOM 219 CG2 VAL A 29 -4.519 13.466 15.086 1.00 8.53 C +ATOM 220 C VAL A 29 -6.256 10.032 15.741 1.00 9.26 C +ATOM 221 O VAL A 29 -7.239 9.780 15.040 1.00 11.33 O +ATOM 222 N MET A 30 -5.529 9.072 16.313 1.00 10.79 N +ATOM 223 CA MET A 30 -6.003 7.663 16.364 1.00 11.74 C +ATOM 224 CB MET A 30 -5.146 6.823 17.311 1.00 14.27 C +ATOM 225 CG MET A 30 -3.627 6.664 16.947 1.00 15.81 C +ATOM 226 SD MET A 30 -3.356 5.058 16.224 1.00 33.08 S +ATOM 227 CE MET A 30 -3.938 5.514 14.643 1.00 20.74 C +ATOM 228 C MET A 30 -7.487 7.572 16.815 1.00 14.59 C +ATOM 229 O MET A 30 -8.307 6.837 16.193 1.00 12.77 O +ATOM 230 N LEU A 31 -7.860 8.332 17.856 1.00 14.76 N +ATOM 231 CA LEU A 31 -9.257 8.329 18.337 1.00 15.82 C +ATOM 232 CB LEU A 31 -9.547 9.420 19.330 1.00 17.44 C +ATOM 233 CG LEU A 31 -9.151 9.271 20.772 1.00 16.70 C +ATOM 234 CD1 LEU A 31 -10.012 10.277 21.515 1.00 17.12 C +ATOM 235 CD2 LEU A 31 -9.364 7.871 21.316 1.00 21.43 C +ATOM 236 C LEU A 31 -10.272 8.530 17.236 1.00 14.45 C +ATOM 237 O LEU A 31 -11.346 7.927 17.248 1.00 13.84 O +ATOM 238 N TRP A 32 -9.943 9.398 16.288 1.00 12.40 N +ATOM 239 CA TRP A 32 -10.850 9.712 15.190 1.00 14.56 C +ATOM 240 CB TRP A 32 -10.691 11.187 14.746 1.00 18.78 C +ATOM 241 CG TRP A 32 -11.484 12.103 15.659 1.00 32.68 C +ATOM 242 CD1 TRP A 32 -11.206 12.385 16.969 1.00 39.08 C +ATOM 243 NE1 TRP A 32 -12.167 13.210 17.492 1.00 42.94 N +ATOM 244 CE2 TRP A 32 -13.102 13.476 16.526 1.00 50.90 C +ATOM 245 CD2 TRP A 32 -12.713 12.779 15.357 1.00 45.18 C +ATOM 246 CE3 TRP A 32 -13.511 12.888 14.205 1.00 57.47 C +ATOM 247 CZ3 TRP A 32 -14.661 13.689 14.258 1.00 57.42 C +ATOM 248 CH2 TRP A 32 -15.018 14.374 15.442 1.00 59.65 C +ATOM 249 CZ2 TRP A 32 -14.259 14.279 16.579 1.00 59.24 C +ATOM 250 C TRP A 32 -10.719 8.778 14.018 1.00 14.53 C +ATOM 251 O TRP A 32 -11.718 8.434 13.402 1.00 15.15 O +ATOM 252 N LEU A 33 -9.479 8.392 13.685 1.00 14.48 N +ATOM 253 CA LEU A 33 -9.207 7.743 12.393 1.00 13.03 C +ATOM 254 CB LEU A 33 -8.145 8.508 11.654 1.00 11.82 C +ATOM 255 CG LEU A 33 -8.464 9.958 11.289 1.00 15.06 C +ATOM 256 CD1 LEU A 33 -7.269 10.537 10.548 1.00 16.02 C +ATOM 257 CD2 LEU A 33 -9.700 10.059 10.425 1.00 17.26 C +ATOM 258 C LEU A 33 -8.787 6.288 12.460 1.00 12.50 C +ATOM 259 O LEU A 33 -8.604 5.673 11.433 1.00 14.24 O +ATOM 260 N ALA A 34 -8.534 5.762 13.660 1.00 11.25 N +ATOM 261 CA ALA A 34 -8.021 4.404 13.776 1.00 14.07 C +ATOM 262 CB ALA A 34 -7.468 4.123 15.158 1.00 12.90 C +ATOM 263 C ALA A 34 -9.134 3.407 13.437 1.00 10.89 C +ATOM 264 O ALA A 34 -10.314 3.716 13.567 1.00 9.58 O +ATOM 265 N TRP A 35 -8.729 2.233 12.978 1.00 9.03 N +ATOM 266 CA TRP A 35 -9.608 1.061 12.947 1.00 10.73 C +ATOM 267 CB TRP A 35 -8.734 -0.192 12.791 1.00 8.48 C +ATOM 268 CG TRP A 35 -9.532 -1.449 12.446 1.00 8.22 C +ATOM 269 CD1 TRP A 35 -10.184 -2.254 13.323 1.00 7.83 C +ATOM 270 NE1 TRP A 35 -10.734 -3.285 12.672 1.00 7.62 N +ATOM 271 CE2 TRP A 35 -10.501 -3.149 11.330 1.00 7.64 C +ATOM 272 CD2 TRP A 35 -9.720 -2.018 11.160 1.00 7.37 C +ATOM 273 CE3 TRP A 35 -9.316 -1.658 9.860 1.00 9.38 C +ATOM 274 CZ3 TRP A 35 -9.708 -2.476 8.777 1.00 7.84 C +ATOM 275 CH2 TRP A 35 -10.459 -3.623 8.996 1.00 8.57 C +ATOM 276 CZ2 TRP A 35 -10.888 -3.970 10.254 1.00 7.63 C +ATOM 277 C TRP A 35 -10.429 0.956 14.231 1.00 11.27 C +ATOM 278 O TRP A 35 -9.904 1.178 15.313 1.00 9.35 O +ATOM 279 N PRO A 36 -11.730 0.584 14.186 1.00 12.00 N +ATOM 280 CA PRO A 36 -12.555 0.610 15.393 1.00 11.46 C +ATOM 281 CB PRO A 36 -13.848 -0.023 14.948 1.00 11.66 C +ATOM 282 CG PRO A 36 -13.873 0.181 13.474 1.00 13.54 C +ATOM 283 CD PRO A 36 -12.475 0.163 12.993 1.00 13.31 C +ATOM 284 C PRO A 36 -11.919 -0.174 16.508 1.00 11.59 C +ATOM 285 O PRO A 36 -11.621 -1.348 16.353 1.00 10.46 O +ATOM 286 N PHE A 37 -11.709 0.490 17.642 1.00 13.56 N +ATOM 287 CA PHE A 37 -11.047 -0.135 18.780 1.00 14.55 C +ATOM 288 CB PHE A 37 -9.874 0.733 19.285 1.00 13.96 C +ATOM 289 CG PHE A 37 -10.196 2.187 19.366 1.00 11.55 C +ATOM 290 CD2 PHE A 37 -9.920 3.026 18.316 1.00 12.09 C +ATOM 291 CE2 PHE A 37 -10.269 4.375 18.369 1.00 11.27 C +ATOM 292 CZ PHE A 37 -10.846 4.880 19.499 1.00 11.14 C +ATOM 293 CE1 PHE A 37 -11.117 4.042 20.567 1.00 11.63 C +ATOM 294 CD1 PHE A 37 -10.808 2.706 20.488 1.00 12.46 C +ATOM 295 C PHE A 37 -12.058 -0.385 19.865 1.00 13.37 C +ATOM 296 O PHE A 37 -11.730 -0.874 20.912 1.00 14.81 O +ATOM 297 N ASP A 38 -13.317 -0.080 19.576 1.00 17.05 N +ATOM 298 CA ASP A 38 -14.440 -0.339 20.475 1.00 19.15 C +ATOM 299 CB ASP A 38 -14.782 0.943 21.218 1.00 20.34 C +ATOM 300 CG ASP A 38 -15.622 0.687 22.435 1.00 30.28 C +ATOM 301 OD1 ASP A 38 -15.175 -0.114 23.275 1.00 44.07 O +ATOM 302 OD2 ASP A 38 -16.730 1.252 22.547 1.00 34.29 O +ATOM 303 C ASP A 38 -15.632 -0.749 19.616 1.00 15.90 C +ATOM 304 O ASP A 38 -15.806 -0.193 18.530 1.00 16.79 O +ATOM 305 N PRO A 39 -16.519 -1.669 20.078 1.00 20.32 N +ATOM 306 CA PRO A 39 -17.703 -2.053 19.293 1.00 16.16 C +ATOM 307 CB PRO A 39 -18.495 -2.966 20.235 1.00 15.98 C +ATOM 308 CG PRO A 39 -17.547 -3.359 21.311 1.00 18.68 C +ATOM 309 CD PRO A 39 -16.431 -2.373 21.375 1.00 17.52 C +ATOM 310 C PRO A 39 -18.590 -0.890 18.906 1.00 16.16 C +ATOM 311 O PRO A 39 -19.177 -0.896 17.826 1.00 21.77 O +ATOM 312 N THR A 40 -18.680 0.119 19.772 1.00 11.59 N +ATOM 313 CA THR A 40 -19.466 1.277 19.467 1.00 10.55 C +ATOM 314 CB THR A 40 -19.552 2.197 20.674 1.00 11.60 C +ATOM 315 OG1 THR A 40 -18.240 2.608 21.020 1.00 18.55 O +ATOM 316 CG2 THR A 40 -20.139 1.497 21.877 1.00 10.47 C +ATOM 317 C THR A 40 -18.961 2.073 18.240 1.00 12.17 C +ATOM 318 O THR A 40 -19.662 2.965 17.771 1.00 13.12 O +ATOM 319 N LEU A 41 -17.752 1.770 17.737 1.00 10.51 N +ATOM 320 CA LEU A 41 -17.169 2.499 16.607 1.00 11.95 C +ATOM 321 CB LEU A 41 -15.687 2.849 16.871 1.00 14.91 C +ATOM 322 CG LEU A 41 -15.388 3.530 18.256 1.00 17.34 C +ATOM 323 CD1 LEU A 41 -13.924 3.861 18.485 1.00 16.53 C +ATOM 324 CD2 LEU A 41 -16.212 4.793 18.453 1.00 15.46 C +ATOM 325 C LEU A 41 -17.318 1.730 15.295 1.00 12.84 C +ATOM 326 O LEU A 41 -16.887 2.193 14.234 1.00 11.38 O +ATOM 327 N LYS A 42 -17.942 0.548 15.380 1.00 12.67 N +ATOM 328 CA LYS A 42 -18.014 -0.378 14.280 1.00 13.81 C +ATOM 329 CB LYS A 42 -18.664 -1.682 14.747 1.00 16.24 C +ATOM 330 CG LYS A 42 -20.158 -1.585 15.074 1.00 22.83 C +ATOM 331 CD LYS A 42 -20.649 -2.760 15.943 1.00 21.04 C +ATOM 332 CE LYS A 42 -21.816 -2.368 16.845 1.00 23.94 C +ATOM 333 NZ LYS A 42 -21.856 -3.217 18.084 1.00 32.66 N +ATOM 334 C LYS A 42 -18.741 0.239 13.083 1.00 15.51 C +ATOM 335 O LYS A 42 -18.416 -0.084 11.932 1.00 11.66 O +ATOM 336 N PHE A 43 -19.681 1.164 13.347 1.00 17.22 N +ATOM 337 CA PHE A 43 -20.430 1.814 12.262 1.00 20.93 C +ATOM 338 CB PHE A 43 -21.829 2.142 12.752 1.00 22.33 C +ATOM 339 CG PHE A 43 -22.579 0.947 13.299 1.00 20.58 C +ATOM 340 CD1 PHE A 43 -22.980 -0.081 12.452 1.00 20.68 C +ATOM 341 CE1 PHE A 43 -23.686 -1.176 12.929 1.00 24.15 C +ATOM 342 CZ PHE A 43 -24.001 -1.257 14.280 1.00 26.39 C +ATOM 343 CE2 PHE A 43 -23.618 -0.228 15.143 1.00 32.87 C +ATOM 344 CD2 PHE A 43 -22.897 0.862 14.650 1.00 28.63 C +ATOM 345 C PHE A 43 -19.763 3.029 11.574 1.00 27.18 C +ATOM 346 O PHE A 43 -20.221 3.475 10.507 1.00 25.90 O +ATOM 347 N GLU A 44 -18.646 3.498 12.149 1.00 22.49 N +ATOM 348 CA GLU A 44 -17.895 4.648 11.651 1.00 15.89 C +ATOM 349 CB GLU A 44 -17.134 5.288 12.812 1.00 15.72 C +ATOM 350 CG GLU A 44 -18.096 5.891 13.824 1.00 15.25 C +ATOM 351 CD GLU A 44 -17.460 6.557 15.048 1.00 21.01 C +ATOM 352 OE1 GLU A 44 -16.224 6.672 15.191 1.00 16.50 O +ATOM 353 OE2 GLU A 44 -18.231 6.970 15.938 1.00 23.93 O +ATOM 354 C GLU A 44 -17.009 4.171 10.494 1.00 16.81 C +ATOM 355 O GLU A 44 -15.798 3.894 10.665 1.00 11.81 O +ATOM 356 N PHE A 45 -17.636 4.149 9.304 1.00 16.82 N +ATOM 357 CA PHE A 45 -17.180 3.464 8.081 1.00 19.36 C +ATOM 358 CB PHE A 45 -18.198 3.633 6.892 1.00 23.18 C +ATOM 359 CG PHE A 45 -18.453 5.081 6.457 1.00 30.12 C +ATOM 360 CD1 PHE A 45 -19.405 5.870 7.102 1.00 31.35 C +ATOM 361 CE1 PHE A 45 -19.638 7.179 6.702 1.00 34.10 C +ATOM 362 CZ PHE A 45 -18.931 7.717 5.647 1.00 29.11 C +ATOM 363 CE2 PHE A 45 -17.988 6.951 4.990 1.00 29.48 C +ATOM 364 CD2 PHE A 45 -17.758 5.642 5.381 1.00 33.40 C +ATOM 365 C PHE A 45 -15.781 3.828 7.630 1.00 15.69 C +ATOM 366 O PHE A 45 -15.035 2.979 7.132 1.00 15.15 O +ATOM 367 N TRP A 46 -15.444 5.109 7.793 1.00 15.30 N +ATOM 368 CA TRP A 46 -14.157 5.659 7.371 1.00 12.11 C +ATOM 369 CB TRP A 46 -14.116 7.157 7.639 1.00 11.86 C +ATOM 370 CG TRP A 46 -14.116 7.547 9.082 1.00 11.95 C +ATOM 371 CD1 TRP A 46 -13.027 7.675 9.875 1.00 14.46 C +ATOM 372 NE1 TRP A 46 -13.406 8.054 11.143 1.00 13.21 N +ATOM 373 CE2 TRP A 46 -14.761 8.232 11.163 1.00 12.73 C +ATOM 374 CD2 TRP A 46 -15.241 7.932 9.882 1.00 14.22 C +ATOM 375 CE3 TRP A 46 -16.623 8.052 9.635 1.00 19.55 C +ATOM 376 CZ3 TRP A 46 -17.457 8.430 10.684 1.00 16.83 C +ATOM 377 CH2 TRP A 46 -16.934 8.726 11.951 1.00 19.93 C +ATOM 378 CZ2 TRP A 46 -15.598 8.640 12.209 1.00 16.01 C +ATOM 379 C TRP A 46 -12.970 4.942 8.045 1.00 11.22 C +ATOM 380 O TRP A 46 -11.941 4.791 7.444 1.00 12.05 O +ATOM 381 N ARG A 47 -13.133 4.535 9.311 1.00 12.46 N +ATOM 382 CA ARG A 47 -12.068 3.879 10.086 1.00 12.68 C +ATOM 383 CB ARG A 47 -12.610 3.427 11.429 1.00 11.77 C +ATOM 384 CG ARG A 47 -13.019 4.609 12.262 1.00 11.77 C +ATOM 385 CD ARG A 47 -13.546 4.169 13.584 1.00 12.31 C +ATOM 386 NE ARG A 47 -13.907 5.288 14.429 1.00 14.80 N +ATOM 387 CZ ARG A 47 -13.074 5.958 15.235 1.00 17.44 C +ATOM 388 NH1 ARG A 47 -11.796 5.616 15.362 1.00 16.23 N +ATOM 389 NH2 ARG A 47 -13.536 6.951 15.980 1.00 14.30 N +ATOM 390 C ARG A 47 -11.411 2.675 9.385 1.00 12.29 C +ATOM 391 O ARG A 47 -10.258 2.348 9.661 1.00 9.14 O +ATOM 392 N TYR A 48 -12.151 2.009 8.487 1.00 10.04 N +ATOM 393 CA TYR A 48 -11.655 0.785 7.875 1.00 10.43 C +ATOM 394 CB TYR A 48 -12.843 -0.073 7.315 1.00 10.84 C +ATOM 395 CG TYR A 48 -13.808 -0.516 8.401 1.00 7.71 C +ATOM 396 CD1 TYR A 48 -13.446 -1.505 9.307 1.00 7.71 C +ATOM 397 CE1 TYR A 48 -14.292 -1.929 10.306 1.00 6.25 C +ATOM 398 CZ TYR A 48 -15.531 -1.366 10.422 1.00 6.42 C +ATOM 399 OH TYR A 48 -16.383 -1.816 11.433 1.00 6.77 O +ATOM 400 CE2 TYR A 48 -15.936 -0.400 9.532 1.00 6.94 C +ATOM 401 CD2 TYR A 48 -15.081 0.025 8.526 1.00 8.10 C +ATOM 402 C TYR A 48 -10.631 1.132 6.824 1.00 10.47 C +ATOM 403 O TYR A 48 -9.883 0.262 6.357 1.00 9.93 O +ATOM 404 N PHE A 49 -10.562 2.427 6.507 1.00 10.22 N +ATOM 405 CA PHE A 49 -9.627 3.005 5.529 1.00 13.54 C +ATOM 406 CB PHE A 49 -10.430 3.625 4.364 1.00 13.65 C +ATOM 407 CG PHE A 49 -11.432 2.646 3.769 1.00 10.24 C +ATOM 408 CD1 PHE A 49 -11.060 1.783 2.751 1.00 11.08 C +ATOM 409 CE1 PHE A 49 -11.941 0.853 2.236 1.00 9.94 C +ATOM 410 CZ PHE A 49 -13.214 0.800 2.755 1.00 10.35 C +ATOM 411 CE2 PHE A 49 -13.575 1.637 3.790 1.00 10.99 C +ATOM 412 CD2 PHE A 49 -12.682 2.547 4.283 1.00 9.51 C +ATOM 413 C PHE A 49 -8.636 4.048 6.092 1.00 11.86 C +ATOM 414 O PHE A 49 -7.472 4.076 5.702 1.00 11.51 O +ATOM 415 N THR A 50 -9.094 4.877 7.022 1.00 12.55 N +ATOM 416 CA THR A 50 -8.330 6.038 7.399 1.00 14.45 C +ATOM 417 CB THR A 50 -9.195 7.083 8.061 1.00 15.19 C +ATOM 418 OG1 THR A 50 -9.856 6.486 9.167 1.00 14.97 O +ATOM 419 CG2 THR A 50 -10.191 7.724 7.033 1.00 15.23 C +ATOM 420 C THR A 50 -7.117 5.750 8.331 1.00 14.00 C +ATOM 421 O THR A 50 -6.277 6.620 8.499 1.00 13.59 O +ATOM 422 N HIS A 51 -7.009 4.518 8.862 1.00 12.10 N +ATOM 423 CA HIS A 51 -5.779 4.027 9.474 1.00 11.62 C +ATOM 424 CB HIS A 51 -5.928 2.564 9.906 1.00 13.56 C +ATOM 425 CG HIS A 51 -6.211 1.632 8.762 1.00 12.87 C +ATOM 426 ND1 HIS A 51 -5.218 1.159 7.929 1.00 8.49 N +ATOM 427 CE1 HIS A 51 -5.772 0.413 6.984 1.00 12.06 C +ATOM 428 NE2 HIS A 51 -7.090 0.399 7.164 1.00 12.69 N +ATOM 429 CD2 HIS A 51 -7.389 1.174 8.258 1.00 9.97 C +ATOM 430 C HIS A 51 -4.542 4.227 8.517 1.00 12.16 C +ATOM 431 O HIS A 51 -3.397 4.531 8.956 1.00 11.44 O +ATOM 432 N ALA A 52 -4.781 4.149 7.210 1.00 10.69 N +ATOM 433 CA ALA A 52 -3.718 4.327 6.223 1.00 11.23 C +ATOM 434 CB ALA A 52 -4.146 3.798 4.865 1.00 13.23 C +ATOM 435 C ALA A 52 -3.122 5.746 6.067 1.00 9.35 C +ATOM 436 O ALA A 52 -2.003 5.887 5.536 1.00 9.41 O +ATOM 437 N LEU A 53 -3.817 6.741 6.610 1.00 9.87 N +ATOM 438 CA LEU A 53 -3.479 8.185 6.490 1.00 12.33 C +ATOM 439 CB LEU A 53 -4.746 9.030 6.430 1.00 11.52 C +ATOM 440 CG LEU A 53 -5.661 8.719 5.228 1.00 16.11 C +ATOM 441 CD1 LEU A 53 -6.846 9.663 5.239 1.00 15.54 C +ATOM 442 CD2 LEU A 53 -4.939 8.846 3.884 1.00 16.40 C +ATOM 443 C LEU A 53 -2.621 8.733 7.621 1.00 13.74 C +ATOM 444 O LEU A 53 -2.185 9.864 7.550 1.00 16.46 O +ATOM 445 N MET A 54 -2.398 7.915 8.668 1.00 14.40 N +ATOM 446 CA MET A 54 -1.666 8.322 9.868 1.00 10.98 C +ATOM 447 CB MET A 54 -2.358 7.720 11.073 1.00 10.55 C +ATOM 448 CG MET A 54 -3.609 8.447 11.441 1.00 13.54 C +ATOM 449 SD MET A 54 -4.380 7.850 12.945 1.00 10.40 S +ATOM 450 CE MET A 54 -5.011 6.298 12.258 1.00 9.03 C +ATOM 451 C MET A 54 -0.230 7.769 9.810 1.00 12.18 C +ATOM 452 O MET A 54 -0.006 6.604 9.477 1.00 12.58 O +ATOM 453 N HIS A 55 0.747 8.622 10.123 1.00 12.28 N +ATOM 454 CA HIS A 55 2.098 8.199 10.300 1.00 11.39 C +ATOM 455 CB HIS A 55 2.963 8.692 9.149 1.00 11.48 C +ATOM 456 CG HIS A 55 2.541 8.153 7.834 1.00 12.61 C +ATOM 457 ND1 HIS A 55 1.594 8.779 7.040 1.00 13.59 N +ATOM 458 CE1 HIS A 55 1.408 8.067 5.949 1.00 14.30 C +ATOM 459 NE2 HIS A 55 2.173 6.989 6.013 1.00 12.53 N +ATOM 460 CD2 HIS A 55 2.892 7.019 7.187 1.00 14.17 C +ATOM 461 C HIS A 55 2.668 8.620 11.643 1.00 11.45 C +ATOM 462 O HIS A 55 2.372 9.663 12.132 1.00 13.10 O +ATOM 463 N PHE A 56 3.542 7.778 12.200 1.00 10.11 N +ATOM 464 CA PHE A 56 4.119 7.993 13.534 1.00 9.89 C +ATOM 465 CB PHE A 56 4.072 6.683 14.317 1.00 10.76 C +ATOM 466 CG PHE A 56 2.704 6.090 14.346 1.00 13.55 C +ATOM 467 CD1 PHE A 56 1.649 6.800 14.954 1.00 14.41 C +ATOM 468 CE1 PHE A 56 0.351 6.285 14.966 1.00 21.55 C +ATOM 469 CZ PHE A 56 0.094 5.054 14.376 1.00 23.29 C +ATOM 470 CE2 PHE A 56 1.143 4.319 13.815 1.00 17.99 C +ATOM 471 CD2 PHE A 56 2.442 4.853 13.784 1.00 17.37 C +ATOM 472 C PHE A 56 5.496 8.531 13.540 1.00 8.06 C +ATOM 473 O PHE A 56 5.979 8.913 14.568 1.00 11.21 O +ATOM 474 N SER A 57 6.130 8.577 12.377 1.00 9.25 N +ATOM 475 CA SER A 57 7.450 9.092 12.237 1.00 12.25 C +ATOM 476 CB SER A 57 8.495 7.974 12.437 1.00 12.81 C +ATOM 477 OG SER A 57 8.674 7.232 11.239 1.00 15.25 O +ATOM 478 C SER A 57 7.629 9.762 10.855 1.00 12.91 C +ATOM 479 O SER A 57 7.036 9.361 9.859 1.00 14.35 O +ATOM 480 N LEU A 58 8.488 10.781 10.855 1.00 10.97 N +ATOM 481 CA LEU A 58 8.909 11.546 9.726 1.00 11.43 C +ATOM 482 CB LEU A 58 9.937 12.561 10.252 1.00 12.33 C +ATOM 483 CG LEU A 58 10.616 13.402 9.211 1.00 12.79 C +ATOM 484 CD1 LEU A 58 9.518 14.044 8.369 1.00 11.89 C +ATOM 485 CD2 LEU A 58 11.512 14.443 9.893 1.00 14.25 C +ATOM 486 C LEU A 58 9.554 10.675 8.655 1.00 13.71 C +ATOM 487 O LEU A 58 9.298 10.807 7.450 1.00 11.94 O +ATOM 488 N MET A 59 10.419 9.768 9.104 1.00 16.33 N +ATOM 489 CA MET A 59 11.136 8.885 8.192 1.00 18.57 C +ATOM 490 CB MET A 59 12.197 8.124 9.000 1.00 23.05 C +ATOM 491 CG MET A 59 12.530 6.728 8.541 1.00 26.57 C +ATOM 492 SD MET A 59 14.314 6.470 8.632 1.00 22.79 S +ATOM 493 CE MET A 59 14.282 4.787 8.025 1.00 24.88 C +ATOM 494 C MET A 59 10.119 8.039 7.381 1.00 17.18 C +ATOM 495 O MET A 59 10.223 7.981 6.157 1.00 14.21 O +ATOM 496 N HIS A 60 9.085 7.508 8.057 1.00 14.12 N +ATOM 497 CA HIS A 60 8.094 6.646 7.429 1.00 16.07 C +ATOM 498 CB HIS A 60 7.398 5.817 8.488 1.00 22.58 C +ATOM 499 CG HIS A 60 8.277 4.741 9.044 1.00 33.20 C +ATOM 500 ND1 HIS A 60 7.844 3.794 9.948 1.00 45.90 N +ATOM 501 CE1 HIS A 60 8.846 2.980 10.233 1.00 78.09 C +ATOM 502 NE2 HIS A 60 9.910 3.359 9.543 1.00 53.30 N +ATOM 503 CD2 HIS A 60 9.572 4.447 8.784 1.00 50.39 C +ATOM 504 C HIS A 60 7.108 7.372 6.500 1.00 12.01 C +ATOM 505 O HIS A 60 6.807 6.860 5.407 1.00 10.26 O +ATOM 506 N ILE A 61 6.662 8.574 6.886 1.00 8.67 N +ATOM 507 CA ILE A 61 5.849 9.351 5.986 1.00 8.62 C +ATOM 508 CB ILE A 61 5.143 10.538 6.636 1.00 7.58 C +ATOM 509 CG1 ILE A 61 4.063 11.076 5.668 1.00 8.87 C +ATOM 510 CD1 ILE A 61 3.223 12.207 6.229 1.00 7.23 C +ATOM 511 CG2 ILE A 61 6.097 11.628 7.040 1.00 8.93 C +ATOM 512 C ILE A 61 6.610 9.663 4.707 1.00 8.60 C +ATOM 513 O ILE A 61 6.082 9.534 3.612 1.00 8.64 O +ATOM 514 N LEU A 62 7.881 10.006 4.833 1.00 12.67 N +ATOM 515 CA LEU A 62 8.691 10.397 3.681 1.00 13.90 C +ATOM 516 CB LEU A 62 10.006 11.035 4.108 1.00 18.30 C +ATOM 517 CG LEU A 62 9.876 12.480 4.639 1.00 22.68 C +ATOM 518 CD1 LEU A 62 11.126 12.905 5.422 1.00 23.25 C +ATOM 519 CD2 LEU A 62 9.618 13.462 3.503 1.00 22.18 C +ATOM 520 C LEU A 62 8.924 9.241 2.746 1.00 10.78 C +ATOM 521 O LEU A 62 8.695 9.359 1.562 1.00 8.81 O +ATOM 522 N PHE A 63 9.340 8.095 3.281 1.00 12.10 N +ATOM 523 CA PHE A 63 9.540 6.915 2.424 1.00 11.47 C +ATOM 524 CB PHE A 63 10.322 5.801 3.128 1.00 13.80 C +ATOM 525 CG PHE A 63 11.795 6.072 3.123 1.00 23.84 C +ATOM 526 CD1 PHE A 63 12.510 6.001 1.916 1.00 33.75 C +ATOM 527 CE1 PHE A 63 13.857 6.319 1.856 1.00 29.98 C +ATOM 528 CZ PHE A 63 14.501 6.741 2.994 1.00 27.25 C +ATOM 529 CE2 PHE A 63 13.813 6.841 4.182 1.00 23.24 C +ATOM 530 CD2 PHE A 63 12.455 6.526 4.251 1.00 23.06 C +ATOM 531 C PHE A 63 8.227 6.415 1.818 1.00 9.46 C +ATOM 532 O PHE A 63 8.208 6.121 0.633 1.00 9.63 O +ATOM 533 N ASN A 64 7.165 6.305 2.631 1.00 8.67 N +ATOM 534 CA ASN A 64 5.841 5.827 2.188 1.00 9.14 C +ATOM 535 CB ASN A 64 4.776 5.766 3.335 1.00 11.48 C +ATOM 536 CG ASN A 64 5.036 4.662 4.372 1.00 11.60 C +ATOM 537 OD1 ASN A 64 4.414 4.538 5.512 1.00 17.42 O +ATOM 538 ND2 ASN A 64 5.981 3.843 3.992 1.00 12.68 N +ATOM 539 C ASN A 64 5.387 6.754 1.024 1.00 8.26 C +ATOM 540 O ASN A 64 4.959 6.304 -0.027 1.00 10.86 O +ATOM 541 N LEU A 65 5.528 8.065 1.189 1.00 8.25 N +ATOM 542 CA LEU A 65 5.031 8.970 0.175 1.00 7.48 C +ATOM 543 CB LEU A 65 4.737 10.353 0.711 1.00 6.64 C +ATOM 544 CG LEU A 65 3.526 10.527 1.620 1.00 6.96 C +ATOM 545 CD1 LEU A 65 3.254 11.976 1.945 1.00 6.37 C +ATOM 546 CD2 LEU A 65 2.236 9.992 1.073 1.00 8.07 C +ATOM 547 C LEU A 65 5.876 8.980 -1.060 1.00 8.20 C +ATOM 548 O LEU A 65 5.352 9.267 -2.139 1.00 10.57 O +ATOM 549 N LEU A 66 7.176 8.695 -0.913 1.00 9.34 N +ATOM 550 CA LEU A 66 8.099 8.651 -2.032 1.00 11.79 C +ATOM 551 CB LEU A 66 9.539 8.411 -1.525 1.00 16.80 C +ATOM 552 CG LEU A 66 10.587 8.319 -2.661 1.00 26.77 C +ATOM 553 CD1 LEU A 66 10.745 9.659 -3.393 1.00 25.49 C +ATOM 554 CD2 LEU A 66 11.937 7.756 -2.175 1.00 27.68 C +ATOM 555 C LEU A 66 7.682 7.514 -2.965 1.00 10.64 C +ATOM 556 O LEU A 66 7.540 7.699 -4.187 1.00 15.70 O +ATOM 557 N TRP A 67 7.507 6.334 -2.371 1.00 9.19 N +ATOM 558 CA TRP A 67 7.064 5.126 -3.051 1.00 11.28 C +ATOM 559 CB TRP A 67 7.060 3.938 -2.075 1.00 13.34 C +ATOM 560 CG TRP A 67 8.401 3.304 -1.844 1.00 19.06 C +ATOM 561 CD1 TRP A 67 9.056 3.169 -0.643 1.00 22.33 C +ATOM 562 NE1 TRP A 67 10.218 2.480 -0.809 1.00 19.58 N +ATOM 563 CE2 TRP A 67 10.364 2.159 -2.134 1.00 18.03 C +ATOM 564 CD2 TRP A 67 9.213 2.646 -2.818 1.00 17.86 C +ATOM 565 CE3 TRP A 67 9.070 2.401 -4.187 1.00 14.96 C +ATOM 566 CZ3 TRP A 67 10.065 1.722 -4.840 1.00 19.37 C +ATOM 567 CH2 TRP A 67 11.227 1.240 -4.124 1.00 21.11 C +ATOM 568 CZ2 TRP A 67 11.378 1.447 -2.777 1.00 14.32 C +ATOM 569 C TRP A 67 5.669 5.251 -3.644 1.00 8.88 C +ATOM 570 O TRP A 67 5.460 4.849 -4.765 1.00 8.19 O +ATOM 571 N TRP A 68 4.720 5.775 -2.849 1.00 10.01 N +ATOM 572 CA TRP A 68 3.364 6.110 -3.311 1.00 10.75 C +ATOM 573 CB TRP A 68 2.521 6.732 -2.180 1.00 12.22 C +ATOM 574 CG TRP A 68 1.275 7.416 -2.701 1.00 10.28 C +ATOM 575 CD1 TRP A 68 1.139 8.743 -3.027 1.00 10.20 C +ATOM 576 NE1 TRP A 68 -0.111 8.986 -3.488 1.00 12.09 N +ATOM 577 CE2 TRP A 68 -0.821 7.824 -3.499 1.00 10.02 C +ATOM 578 CD2 TRP A 68 0.034 6.808 -2.981 1.00 9.02 C +ATOM 579 CE3 TRP A 68 -0.449 5.502 -2.863 1.00 9.05 C +ATOM 580 CZ3 TRP A 68 -1.800 5.242 -3.239 1.00 10.67 C +ATOM 581 CH2 TRP A 68 -2.640 6.298 -3.731 1.00 10.46 C +ATOM 582 CZ2 TRP A 68 -2.159 7.581 -3.890 1.00 10.72 C +ATOM 583 C TRP A 68 3.424 7.060 -4.520 1.00 12.58 C +ATOM 584 O TRP A 68 2.782 6.803 -5.552 1.00 12.72 O +ATOM 585 N TRP A 69 4.230 8.124 -4.419 1.00 9.65 N +ATOM 586 CA TRP A 69 4.337 9.066 -5.507 1.00 11.78 C +ATOM 587 CB TRP A 69 5.235 10.258 -5.095 1.00 14.65 C +ATOM 588 CG TRP A 69 5.481 11.368 -6.147 1.00 18.59 C +ATOM 589 CD1 TRP A 69 4.556 11.972 -6.940 1.00 24.42 C +ATOM 590 NE1 TRP A 69 5.144 12.918 -7.738 1.00 20.97 N +ATOM 591 CE2 TRP A 69 6.478 12.944 -7.476 1.00 26.76 C +ATOM 592 CD2 TRP A 69 6.727 11.978 -6.467 1.00 26.95 C +ATOM 593 CE3 TRP A 69 8.032 11.845 -5.968 1.00 44.22 C +ATOM 594 CZ3 TRP A 69 9.048 12.671 -6.502 1.00 53.68 C +ATOM 595 CH2 TRP A 69 8.757 13.612 -7.515 1.00 49.15 C +ATOM 596 CZ2 TRP A 69 7.483 13.763 -8.004 1.00 36.39 C +ATOM 597 C TRP A 69 4.861 8.380 -6.792 1.00 10.65 C +ATOM 598 O TRP A 69 4.351 8.616 -7.887 1.00 7.41 O +ATOM 599 N TYR A 70 5.898 7.555 -6.640 1.00 9.26 N +ATOM 600 CA TYR A 70 6.473 6.855 -7.785 1.00 10.38 C +ATOM 601 CB TYR A 70 7.855 6.275 -7.439 1.00 11.80 C +ATOM 602 CG TYR A 70 8.629 5.780 -8.636 1.00 14.20 C +ATOM 603 CD1 TYR A 70 9.215 6.663 -9.539 1.00 18.79 C +ATOM 604 CE1 TYR A 70 9.911 6.200 -10.660 1.00 19.00 C +ATOM 605 CZ TYR A 70 9.995 4.832 -10.890 1.00 21.71 C +ATOM 606 OH TYR A 70 10.688 4.307 -11.969 1.00 30.85 O +ATOM 607 CE2 TYR A 70 9.401 3.948 -10.015 1.00 22.83 C +ATOM 608 CD2 TYR A 70 8.731 4.425 -8.894 1.00 19.10 C +ATOM 609 C TYR A 70 5.581 5.747 -8.369 1.00 8.62 C +ATOM 610 O TYR A 70 5.333 5.707 -9.567 1.00 8.15 O +ATOM 611 N LEU A 71 5.130 4.819 -7.529 1.00 8.22 N +ATOM 612 CA LEU A 71 4.427 3.664 -8.031 1.00 8.75 C +ATOM 613 CB LEU A 71 4.519 2.497 -7.073 1.00 10.19 C +ATOM 614 CG LEU A 71 5.892 1.943 -6.730 1.00 10.00 C +ATOM 615 CD1 LEU A 71 5.723 0.836 -5.745 1.00 10.46 C +ATOM 616 CD2 LEU A 71 6.572 1.371 -7.958 1.00 13.03 C +ATOM 617 C LEU A 71 2.975 4.022 -8.242 1.00 9.72 C +ATOM 618 O LEU A 71 2.424 3.776 -9.320 1.00 10.90 O +ATOM 619 N GLY A 72 2.373 4.629 -7.211 1.00 10.28 N +ATOM 620 CA GLY A 72 1.069 5.279 -7.319 1.00 10.65 C +ATOM 621 C GLY A 72 0.968 6.082 -8.591 1.00 9.77 C +ATOM 622 O GLY A 72 0.097 5.859 -9.364 1.00 10.46 O +ATOM 623 N GLY A 73 1.899 7.007 -8.815 1.00 10.80 N +ATOM 624 CA GLY A 73 1.838 7.916 -9.956 1.00 9.84 C +ATOM 625 C GLY A 73 1.960 7.210 -11.308 1.00 9.93 C +ATOM 626 O GLY A 73 1.306 7.569 -12.302 1.00 9.02 O +ATOM 627 N ALA A 74 2.803 6.180 -11.353 1.00 10.45 N +ATOM 628 CA ALA A 74 2.927 5.352 -12.548 1.00 10.89 C +ATOM 629 CB ALA A 74 4.036 4.315 -12.354 1.00 10.75 C +ATOM 630 C ALA A 74 1.566 4.665 -12.842 1.00 8.90 C +ATOM 631 O ALA A 74 1.028 4.766 -13.923 1.00 9.49 O +ATOM 632 N VAL A 75 0.999 4.007 -11.835 1.00 8.02 N +ATOM 633 CA VAL A 75 -0.257 3.331 -12.027 1.00 9.54 C +ATOM 634 CB VAL A 75 -0.731 2.615 -10.760 1.00 8.90 C +ATOM 635 CG1 VAL A 75 -2.154 2.091 -10.937 1.00 10.78 C +ATOM 636 CG2 VAL A 75 0.208 1.468 -10.459 1.00 8.31 C +ATOM 637 C VAL A 75 -1.330 4.262 -12.587 1.00 8.80 C +ATOM 638 O VAL A 75 -1.959 3.937 -13.556 1.00 10.62 O +ATOM 639 N GLU A 76 -1.542 5.405 -11.952 1.00 9.32 N +ATOM 640 CA GLU A 76 -2.534 6.385 -12.402 1.00 11.38 C +ATOM 641 CB GLU A 76 -2.570 7.617 -11.488 1.00 13.00 C +ATOM 642 CG GLU A 76 -3.625 8.684 -11.800 1.00 11.01 C +ATOM 643 CD GLU A 76 -3.959 9.500 -10.562 1.00 12.62 C +ATOM 644 OE1 GLU A 76 -3.100 9.679 -9.654 1.00 12.49 O +ATOM 645 OE2 GLU A 76 -5.106 9.971 -10.473 1.00 16.29 O +ATOM 646 C GLU A 76 -2.279 6.826 -13.813 1.00 13.17 C +ATOM 647 O GLU A 76 -3.212 6.875 -14.620 1.00 14.71 O +ATOM 648 N LYS A 77 -1.023 7.149 -14.125 1.00 13.53 N +ATOM 649 CA LYS A 77 -0.691 7.631 -15.450 1.00 16.95 C +ATOM 650 CB LYS A 77 0.772 8.113 -15.524 1.00 24.89 C +ATOM 651 CG LYS A 77 1.123 9.035 -16.697 1.00 29.96 C +ATOM 652 CD LYS A 77 0.318 10.360 -16.756 1.00 48.81 C +ATOM 653 CE LYS A 77 0.264 11.189 -15.448 1.00 51.17 C +ATOM 654 NZ LYS A 77 -1.040 11.158 -14.674 1.00 41.66 N +ATOM 655 C LYS A 77 -0.950 6.572 -16.521 1.00 13.69 C +ATOM 656 O LYS A 77 -1.494 6.879 -17.552 1.00 11.09 O +ATOM 657 N ARG A 78 -0.548 5.324 -16.285 1.00 13.15 N +ATOM 658 CA ARG A 78 -0.612 4.350 -17.369 1.00 17.21 C +ATOM 659 CB ARG A 78 0.569 3.378 -17.365 1.00 26.03 C +ATOM 660 CG ARG A 78 1.913 3.942 -16.907 1.00 42.52 C +ATOM 661 CD ARG A 78 2.808 4.626 -17.945 1.00 53.37 C +ATOM 662 NE ARG A 78 3.687 5.628 -17.278 1.00 85.31 N +ATOM 663 CZ ARG A 78 4.726 5.370 -16.459 1.00 75.86 C +ATOM 664 NH1 ARG A 78 5.102 4.121 -16.173 1.00 81.51 N +ATOM 665 NH2 ARG A 78 5.405 6.379 -15.905 1.00 57.06 N +ATOM 666 C ARG A 78 -1.944 3.593 -17.429 1.00 12.62 C +ATOM 667 O ARG A 78 -2.380 3.237 -18.512 1.00 12.21 O +ATOM 668 N LEU A 79 -2.565 3.356 -16.265 1.00 10.41 N +ATOM 669 CA LEU A 79 -3.772 2.528 -16.104 1.00 8.22 C +ATOM 670 CB LEU A 79 -3.520 1.406 -15.068 1.00 8.17 C +ATOM 671 CG LEU A 79 -2.238 0.614 -15.313 1.00 8.98 C +ATOM 672 CD1 LEU A 79 -1.982 -0.564 -14.362 1.00 8.36 C +ATOM 673 CD2 LEU A 79 -2.283 0.107 -16.752 1.00 9.32 C +ATOM 674 C LEU A 79 -5.005 3.327 -15.682 1.00 6.91 C +ATOM 675 O LEU A 79 -6.127 2.831 -15.754 1.00 8.56 O +ATOM 676 N GLY A 80 -4.815 4.560 -15.219 1.00 5.95 N +ATOM 677 CA GLY A 80 -5.916 5.393 -14.797 1.00 5.85 C +ATOM 678 C GLY A 80 -6.069 5.570 -13.281 1.00 6.74 C +ATOM 679 O GLY A 80 -5.678 4.723 -12.481 1.00 6.31 O +ATOM 680 N SER A 81 -6.731 6.676 -12.933 1.00 6.52 N +ATOM 681 CA SER A 81 -7.166 7.017 -11.624 1.00 7.29 C +ATOM 682 CB SER A 81 -7.983 8.309 -11.714 1.00 6.49 C +ATOM 683 OG SER A 81 -7.108 9.389 -11.940 1.00 7.34 O +ATOM 684 C SER A 81 -7.967 5.938 -10.917 1.00 7.07 C +ATOM 685 O SER A 81 -7.704 5.631 -9.706 1.00 7.73 O +ATOM 686 N GLY A 82 -8.916 5.346 -11.644 1.00 6.35 N +ATOM 687 CA GLY A 82 -9.774 4.307 -11.103 1.00 6.26 C +ATOM 688 C GLY A 82 -9.017 3.094 -10.559 1.00 6.75 C +ATOM 689 O GLY A 82 -9.344 2.541 -9.500 1.00 7.96 O +ATOM 690 N LYS A 83 -8.012 2.659 -11.315 1.00 6.78 N +ATOM 691 CA LYS A 83 -7.228 1.523 -10.985 1.00 7.45 C +ATOM 692 CB LYS A 83 -6.236 1.280 -12.121 1.00 10.15 C +ATOM 693 CG LYS A 83 -5.312 0.087 -11.864 1.00 13.46 C +ATOM 694 CD LYS A 83 -6.051 -1.227 -11.772 1.00 15.35 C +ATOM 695 CE LYS A 83 -6.484 -1.684 -13.161 1.00 13.83 C +ATOM 696 NZ LYS A 83 -7.079 -3.019 -12.976 1.00 17.70 N +ATOM 697 C LYS A 83 -6.484 1.815 -9.666 1.00 7.49 C +ATOM 698 O LYS A 83 -6.444 0.988 -8.771 1.00 6.49 O +ATOM 699 N LEU A 84 -5.920 3.022 -9.546 1.00 7.56 N +ATOM 700 CA LEU A 84 -5.195 3.407 -8.334 1.00 8.80 C +ATOM 701 CB LEU A 84 -4.518 4.767 -8.469 1.00 8.75 C +ATOM 702 CG LEU A 84 -3.633 5.178 -7.271 1.00 9.25 C +ATOM 703 CD1 LEU A 84 -2.666 4.084 -6.881 1.00 11.42 C +ATOM 704 CD2 LEU A 84 -2.867 6.467 -7.571 1.00 8.81 C +ATOM 705 C LEU A 84 -6.144 3.441 -7.155 1.00 9.07 C +ATOM 706 O LEU A 84 -5.798 2.966 -6.092 1.00 7.30 O +ATOM 707 N ILE A 85 -7.346 4.006 -7.369 1.00 8.25 N +ATOM 708 CA ILE A 85 -8.386 3.994 -6.336 1.00 8.61 C +ATOM 709 CB ILE A 85 -9.664 4.685 -6.826 1.00 9.61 C +ATOM 710 CG1 ILE A 85 -9.420 6.201 -6.885 1.00 10.88 C +ATOM 711 CD1 ILE A 85 -10.451 6.950 -7.716 1.00 13.48 C +ATOM 712 CG2 ILE A 85 -10.873 4.386 -5.911 1.00 9.42 C +ATOM 713 C ILE A 85 -8.700 2.604 -5.766 1.00 7.41 C +ATOM 714 O ILE A 85 -8.708 2.427 -4.542 1.00 8.94 O +ATOM 715 N VAL A 86 -8.944 1.625 -6.642 1.00 6.37 N +ATOM 716 CA VAL A 86 -9.350 0.301 -6.188 1.00 6.19 C +ATOM 717 CB VAL A 86 -9.877 -0.556 -7.378 1.00 5.97 C +ATOM 718 CG1 VAL A 86 -10.573 -1.827 -6.883 1.00 5.42 C +ATOM 719 CG2 VAL A 86 -10.771 0.272 -8.291 1.00 5.92 C +ATOM 720 C VAL A 86 -8.211 -0.453 -5.526 1.00 7.25 C +ATOM 721 O VAL A 86 -8.402 -1.062 -4.491 1.00 7.60 O +ATOM 722 N ILE A 87 -7.013 -0.407 -6.121 1.00 8.21 N +ATOM 723 CA ILE A 87 -5.834 -0.934 -5.428 1.00 9.69 C +ATOM 724 CB ILE A 87 -4.572 -0.636 -6.197 1.00 10.87 C +ATOM 725 CG1 ILE A 87 -4.566 -1.446 -7.467 1.00 10.95 C +ATOM 726 CD1 ILE A 87 -3.393 -1.087 -8.373 1.00 11.24 C +ATOM 727 CG2 ILE A 87 -3.337 -0.963 -5.349 1.00 14.74 C +ATOM 728 C ILE A 87 -5.713 -0.384 -4.003 1.00 8.23 C +ATOM 729 O ILE A 87 -5.573 -1.103 -3.012 1.00 8.72 O +ATOM 730 N THR A 88 -5.846 0.924 -3.904 1.00 10.12 N +ATOM 731 CA THR A 88 -5.744 1.616 -2.627 1.00 9.66 C +ATOM 732 CB THR A 88 -5.782 3.135 -2.820 1.00 8.86 C +ATOM 733 OG1 THR A 88 -4.713 3.534 -3.666 1.00 8.21 O +ATOM 734 CG2 THR A 88 -5.661 3.870 -1.458 1.00 9.41 C +ATOM 735 C THR A 88 -6.850 1.185 -1.663 1.00 10.56 C +ATOM 736 O THR A 88 -6.545 0.917 -0.528 1.00 9.67 O +ATOM 737 N LEU A 89 -8.125 1.154 -2.113 1.00 9.79 N +ATOM 738 CA LEU A 89 -9.231 0.758 -1.219 1.00 9.43 C +ATOM 739 CB LEU A 89 -10.611 0.882 -1.868 1.00 10.49 C +ATOM 740 CG LEU A 89 -11.021 2.316 -2.222 1.00 13.29 C +ATOM 741 CD1 LEU A 89 -12.374 2.304 -2.905 1.00 12.80 C +ATOM 742 CD2 LEU A 89 -11.036 3.253 -1.008 1.00 15.37 C +ATOM 743 C LEU A 89 -9.087 -0.650 -0.696 1.00 10.23 C +ATOM 744 O LEU A 89 -9.369 -0.920 0.481 1.00 16.46 O +ATOM 745 N ILE A 90 -8.712 -1.568 -1.591 1.00 9.43 N +ATOM 746 CA ILE A 90 -8.711 -2.980 -1.307 1.00 10.41 C +ATOM 747 CB ILE A 90 -8.637 -3.829 -2.621 1.00 10.97 C +ATOM 748 CG1 ILE A 90 -9.932 -3.722 -3.437 1.00 10.17 C +ATOM 749 CD1 ILE A 90 -9.913 -4.522 -4.756 1.00 11.35 C +ATOM 750 CG2 ILE A 90 -8.453 -5.299 -2.254 1.00 13.93 C +ATOM 751 C ILE A 90 -7.506 -3.245 -0.406 1.00 10.30 C +ATOM 752 O ILE A 90 -7.598 -3.961 0.567 1.00 11.27 O +ATOM 753 N SER A 91 -6.362 -2.693 -0.775 1.00 9.52 N +ATOM 754 CA SER A 91 -5.165 -2.884 0.046 1.00 14.52 C +ATOM 755 CB SER A 91 -3.895 -2.372 -0.636 1.00 13.25 C +ATOM 756 OG SER A 91 -3.915 -0.995 -0.810 1.00 12.23 O +ATOM 757 C SER A 91 -5.336 -2.289 1.477 1.00 10.37 C +ATOM 758 O SER A 91 -4.976 -2.943 2.453 1.00 9.69 O +ATOM 759 N ALA A 92 -5.922 -1.094 1.572 1.00 9.09 N +ATOM 760 CA ALA A 92 -6.158 -0.463 2.875 1.00 9.92 C +ATOM 761 CB ALA A 92 -6.701 0.950 2.754 1.00 9.81 C +ATOM 762 C ALA A 92 -7.060 -1.288 3.740 1.00 9.21 C +ATOM 763 O ALA A 92 -6.823 -1.455 4.911 1.00 11.95 O +ATOM 764 N LEU A 93 -8.139 -1.804 3.157 1.00 12.58 N +ATOM 765 CA LEU A 93 -9.130 -2.540 3.916 1.00 11.15 C +ATOM 766 CB LEU A 93 -10.325 -2.762 3.021 1.00 13.97 C +ATOM 767 CG LEU A 93 -11.521 -3.362 3.641 1.00 15.28 C +ATOM 768 CD1 LEU A 93 -12.057 -2.526 4.795 1.00 14.89 C +ATOM 769 CD2 LEU A 93 -12.540 -3.524 2.505 1.00 18.93 C +ATOM 770 C LEU A 93 -8.587 -3.883 4.370 1.00 9.22 C +ATOM 771 O LEU A 93 -8.762 -4.275 5.538 1.00 9.53 O +ATOM 772 N LEU A 94 -7.966 -4.610 3.431 1.00 8.54 N +ATOM 773 CA LEU A 94 -7.517 -5.966 3.714 1.00 10.77 C +ATOM 774 CB LEU A 94 -7.195 -6.752 2.432 1.00 9.48 C +ATOM 775 CG LEU A 94 -8.393 -7.468 1.809 1.00 8.72 C +ATOM 776 CD1 LEU A 94 -9.393 -6.499 1.237 1.00 8.52 C +ATOM 777 CD2 LEU A 94 -7.954 -8.399 0.706 1.00 9.47 C +ATOM 778 C LEU A 94 -6.316 -5.928 4.667 1.00 10.87 C +ATOM 779 O LEU A 94 -6.235 -6.738 5.617 1.00 14.49 O +ATOM 780 N SER A 95 -5.415 -4.960 4.454 1.00 9.20 N +ATOM 781 CA SER A 95 -4.230 -4.880 5.286 1.00 9.77 C +ATOM 782 CB SER A 95 -3.213 -3.911 4.686 1.00 11.24 C +ATOM 783 OG SER A 95 -3.678 -2.577 4.728 1.00 10.77 O +ATOM 784 C SER A 95 -4.613 -4.532 6.698 1.00 10.28 C +ATOM 785 O SER A 95 -4.114 -5.116 7.657 1.00 11.54 O +ATOM 786 N GLY A 96 -5.590 -3.634 6.844 1.00 9.63 N +ATOM 787 CA GLY A 96 -6.087 -3.270 8.168 1.00 9.09 C +ATOM 788 C GLY A 96 -6.762 -4.436 8.867 1.00 10.87 C +ATOM 789 O GLY A 96 -6.613 -4.635 10.100 1.00 9.44 O +ATOM 790 N TYR A 97 -7.569 -5.191 8.106 1.00 10.40 N +ATOM 791 CA TYR A 97 -8.290 -6.287 8.694 1.00 10.22 C +ATOM 792 CB TYR A 97 -9.250 -6.949 7.687 1.00 9.26 C +ATOM 793 CG TYR A 97 -9.519 -8.374 7.968 1.00 11.80 C +ATOM 794 CD1 TYR A 97 -10.347 -8.775 8.992 1.00 13.53 C +ATOM 795 CE1 TYR A 97 -10.532 -10.110 9.272 1.00 15.13 C +ATOM 796 CZ TYR A 97 -9.902 -11.053 8.518 1.00 17.92 C +ATOM 797 OH TYR A 97 -10.075 -12.435 8.689 1.00 35.59 O +ATOM 798 CE2 TYR A 97 -9.093 -10.678 7.495 1.00 20.60 C +ATOM 799 CD2 TYR A 97 -8.884 -9.347 7.235 1.00 15.19 C +ATOM 800 C TYR A 97 -7.294 -7.303 9.260 1.00 10.61 C +ATOM 801 O TYR A 97 -7.494 -7.813 10.362 1.00 9.19 O +ATOM 802 N VAL A 98 -6.266 -7.642 8.465 1.00 10.24 N +ATOM 803 CA VAL A 98 -5.312 -8.664 8.858 1.00 11.42 C +ATOM 804 CB VAL A 98 -4.425 -9.049 7.669 1.00 13.55 C +ATOM 805 CG1 VAL A 98 -3.289 -9.957 8.138 1.00 13.24 C +ATOM 806 CG2 VAL A 98 -5.264 -9.766 6.594 1.00 13.47 C +ATOM 807 C VAL A 98 -4.441 -8.204 10.028 1.00 9.87 C +ATOM 808 O VAL A 98 -4.173 -8.969 10.946 1.00 8.32 O +ATOM 809 N GLN A 99 -3.981 -6.953 9.959 1.00 9.03 N +ATOM 810 CA GLN A 99 -3.238 -6.349 11.038 1.00 10.14 C +ATOM 811 CB GLN A 99 -2.867 -4.919 10.741 1.00 9.94 C +ATOM 812 CG GLN A 99 -1.925 -4.309 11.812 1.00 12.42 C +ATOM 813 CD GLN A 99 -0.648 -5.101 12.038 1.00 12.41 C +ATOM 814 OE1 GLN A 99 -0.090 -5.670 11.095 1.00 10.66 O +ATOM 815 NE2 GLN A 99 -0.218 -5.211 13.309 1.00 13.91 N +ATOM 816 C GLN A 99 -3.975 -6.405 12.343 1.00 10.64 C +ATOM 817 O GLN A 99 -3.384 -6.788 13.386 1.00 13.44 O +ATOM 818 N GLN A 100 -5.255 -6.016 12.332 1.00 11.43 N +ATOM 819 CA GLN A 100 -5.995 -5.975 13.596 1.00 10.79 C +ATOM 820 CB GLN A 100 -7.257 -5.133 13.563 1.00 15.29 C +ATOM 821 CG GLN A 100 -8.380 -5.569 12.629 1.00 15.18 C +ATOM 822 CD GLN A 100 -9.225 -6.715 13.139 1.00 20.02 C +ATOM 823 OE1 GLN A 100 -9.472 -6.808 14.363 1.00 17.98 O +ATOM 824 NE2 GLN A 100 -9.605 -7.683 12.195 1.00 13.46 N +ATOM 825 C GLN A 100 -6.266 -7.363 14.120 1.00 11.18 C +ATOM 826 O GLN A 100 -6.235 -7.573 15.322 1.00 10.28 O +ATOM 827 N LYS A 101 -6.472 -8.333 13.220 1.00 12.05 N +ATOM 828 CA LYS A 101 -6.681 -9.723 13.636 1.00 15.91 C +ATOM 829 CB LYS A 101 -6.895 -10.634 12.429 1.00 19.62 C +ATOM 830 CG LYS A 101 -7.287 -12.058 12.764 1.00 25.54 C +ATOM 831 CD LYS A 101 -8.474 -12.147 13.720 1.00 36.13 C +ATOM 832 CE LYS A 101 -9.673 -11.284 13.326 1.00 47.35 C +ATOM 833 NZ LYS A 101 -10.721 -11.377 14.389 1.00 53.61 N +ATOM 834 C LYS A 101 -5.500 -10.280 14.454 1.00 14.76 C +ATOM 835 O LYS A 101 -5.719 -10.974 15.393 1.00 12.05 O +ATOM 836 N PHE A 102 -4.264 -9.996 14.037 1.00 17.64 N +ATOM 837 CA PHE A 102 -3.069 -10.555 14.677 1.00 22.08 C +ATOM 838 CB PHE A 102 -1.839 -10.534 13.768 1.00 32.43 C +ATOM 839 CG PHE A 102 -1.901 -11.454 12.572 1.00 49.16 C +ATOM 840 CD1 PHE A 102 -2.862 -12.455 12.445 1.00 57.17 C +ATOM 841 CE1 PHE A 102 -2.866 -13.295 11.330 1.00 64.20 C +ATOM 842 CZ PHE A 102 -1.892 -13.156 10.344 1.00 70.11 C +ATOM 843 CE2 PHE A 102 -0.914 -12.178 10.463 1.00 66.22 C +ATOM 844 CD2 PHE A 102 -0.918 -11.337 11.570 1.00 70.03 C +ATOM 845 C PHE A 102 -2.668 -9.771 15.906 1.00 15.16 C +ATOM 846 O PHE A 102 -2.255 -10.357 16.860 1.00 18.94 O +ATOM 847 N SER A 103 -2.801 -8.443 15.854 1.00 13.90 N +ATOM 848 CA SER A 103 -2.190 -7.538 16.816 1.00 11.20 C +ATOM 849 CB SER A 103 -1.010 -6.901 16.091 1.00 11.98 C +ATOM 850 OG SER A 103 -0.155 -7.948 15.732 1.00 11.27 O +ATOM 851 C SER A 103 -3.041 -6.399 17.376 1.00 11.46 C +ATOM 852 O SER A 103 -2.533 -5.548 18.090 1.00 9.51 O +ATOM 853 N GLY A 104 -4.315 -6.325 16.976 1.00 10.24 N +ATOM 854 CA GLY A 104 -5.217 -5.309 17.481 1.00 9.26 C +ATOM 855 C GLY A 104 -5.236 -4.009 16.680 1.00 9.97 C +ATOM 856 O GLY A 104 -4.581 -3.850 15.652 1.00 7.26 O +ATOM 857 N PRO A 105 -6.068 -3.048 17.121 1.00 7.88 N +ATOM 858 CA PRO A 105 -6.440 -1.913 16.282 1.00 8.48 C +ATOM 859 CB PRO A 105 -7.760 -1.519 16.927 1.00 8.22 C +ATOM 860 CG PRO A 105 -7.526 -1.820 18.398 1.00 6.83 C +ATOM 861 CD PRO A 105 -6.796 -3.114 18.390 1.00 6.35 C +ATOM 862 C PRO A 105 -5.457 -0.681 16.228 1.00 10.05 C +ATOM 863 O PRO A 105 -5.726 0.307 15.537 1.00 10.01 O +ATOM 864 N TRP A 106 -4.367 -0.740 16.992 1.00 11.69 N +ATOM 865 CA TRP A 106 -3.498 0.422 17.226 1.00 11.54 C +ATOM 866 CB TRP A 106 -2.977 0.415 18.663 1.00 12.46 C +ATOM 867 CG TRP A 106 -4.087 0.430 19.601 1.00 12.18 C +ATOM 868 CD1 TRP A 106 -4.515 -0.604 20.362 1.00 10.82 C +ATOM 869 NE1 TRP A 106 -5.592 -0.214 21.128 1.00 11.60 N +ATOM 870 CE2 TRP A 106 -5.934 1.072 20.791 1.00 11.11 C +ATOM 871 CD2 TRP A 106 -4.992 1.513 19.833 1.00 13.14 C +ATOM 872 CE3 TRP A 106 -5.101 2.806 19.333 1.00 17.26 C +ATOM 873 CZ3 TRP A 106 -6.162 3.615 19.799 1.00 14.76 C +ATOM 874 CH2 TRP A 106 -7.062 3.140 20.765 1.00 11.76 C +ATOM 875 CZ2 TRP A 106 -6.967 1.876 21.254 1.00 10.23 C +ATOM 876 C TRP A 106 -2.361 0.393 16.263 1.00 10.94 C +ATOM 877 O TRP A 106 -1.195 0.124 16.642 1.00 10.11 O +ATOM 878 N PHE A 107 -2.709 0.640 14.997 1.00 11.04 N +ATOM 879 CA PHE A 107 -1.764 0.669 13.907 1.00 10.70 C +ATOM 880 CB PHE A 107 -1.780 -0.683 13.192 1.00 13.62 C +ATOM 881 CG PHE A 107 -3.055 -0.981 12.478 1.00 12.43 C +ATOM 882 CD1 PHE A 107 -4.101 -1.552 13.148 1.00 14.88 C +ATOM 883 CE1 PHE A 107 -5.286 -1.837 12.510 1.00 15.39 C +ATOM 884 CZ PHE A 107 -5.435 -1.512 11.190 1.00 15.58 C +ATOM 885 CE2 PHE A 107 -4.388 -0.947 10.489 1.00 12.75 C +ATOM 886 CD2 PHE A 107 -3.202 -0.668 11.145 1.00 14.16 C +ATOM 887 C PHE A 107 -2.133 1.791 12.969 1.00 12.33 C +ATOM 888 O PHE A 107 -3.244 2.341 13.025 1.00 12.46 O +ATOM 889 N GLY A 108 -1.192 2.152 12.097 1.00 9.93 N +ATOM 890 CA GLY A 108 -1.459 3.141 11.089 1.00 8.76 C +ATOM 891 C GLY A 108 -0.352 3.178 10.084 1.00 9.73 C +ATOM 892 O GLY A 108 0.717 2.636 10.301 1.00 9.84 O +ATOM 893 N GLY A 109 -0.607 3.856 8.974 1.00 10.32 N +ATOM 894 CA GLY A 109 0.409 4.042 7.971 1.00 10.57 C +ATOM 895 C GLY A 109 0.014 3.548 6.596 1.00 11.70 C +ATOM 896 O GLY A 109 -0.753 2.586 6.452 1.00 11.87 O +ATOM 897 N LEU A 110 0.604 4.186 5.588 1.00 11.04 N +ATOM 898 CA LEU A 110 0.424 3.859 4.190 1.00 14.57 C +ATOM 899 CB LEU A 110 0.718 5.128 3.351 1.00 11.87 C +ATOM 900 CG LEU A 110 0.154 5.105 1.933 1.00 12.86 C +ATOM 901 CD1 LEU A 110 -1.387 5.048 1.998 1.00 12.16 C +ATOM 902 CD2 LEU A 110 0.647 6.371 1.227 1.00 12.82 C +ATOM 903 C LEU A 110 1.186 2.611 3.628 1.00 11.01 C +ATOM 904 O LEU A 110 0.993 2.204 2.505 1.00 14.43 O +ATOM 905 N SER A 111 2.024 1.979 4.429 1.00 13.29 N +ATOM 906 CA SER A 111 2.845 0.888 3.946 1.00 10.12 C +ATOM 907 CB SER A 111 3.898 0.485 4.992 1.00 10.55 C +ATOM 908 OG SER A 111 3.320 -0.053 6.194 1.00 11.02 O +ATOM 909 C SER A 111 2.089 -0.351 3.481 1.00 12.43 C +ATOM 910 O SER A 111 2.634 -1.120 2.676 1.00 13.91 O +ATOM 911 N GLY A 112 0.858 -0.562 3.971 1.00 12.21 N +ATOM 912 CA GLY A 112 0.035 -1.663 3.484 1.00 12.07 C +ATOM 913 C GLY A 112 -0.209 -1.434 2.009 1.00 11.14 C +ATOM 914 O GLY A 112 -0.034 -2.335 1.146 1.00 9.44 O +ATOM 915 N VAL A 113 -0.603 -0.192 1.714 1.00 10.51 N +ATOM 916 CA VAL A 113 -0.867 0.283 0.356 1.00 10.87 C +ATOM 917 CB VAL A 113 -1.508 1.687 0.352 1.00 8.83 C +ATOM 918 CG1 VAL A 113 -1.660 2.166 -1.059 1.00 13.82 C +ATOM 919 CG2 VAL A 113 -2.865 1.687 1.021 1.00 9.67 C +ATOM 920 C VAL A 113 0.414 0.290 -0.469 1.00 9.75 C +ATOM 921 O VAL A 113 0.432 -0.103 -1.577 1.00 10.43 O +ATOM 922 N VAL A 114 1.508 0.767 0.113 1.00 10.82 N +ATOM 923 CA VAL A 114 2.762 0.775 -0.584 1.00 10.51 C +ATOM 924 CB VAL A 114 3.842 1.485 0.225 1.00 9.83 C +ATOM 925 CG1 VAL A 114 5.199 1.247 -0.375 1.00 8.18 C +ATOM 926 CG2 VAL A 114 3.541 2.962 0.244 1.00 11.97 C +ATOM 927 C VAL A 114 3.197 -0.628 -0.973 1.00 10.52 C +ATOM 928 O VAL A 114 3.678 -0.814 -2.114 1.00 8.61 O +ATOM 929 N TYR A 115 3.043 -1.596 -0.049 1.00 11.27 N +ATOM 930 CA TYR A 115 3.414 -2.996 -0.328 1.00 12.70 C +ATOM 931 CB TYR A 115 3.320 -3.943 0.896 1.00 13.31 C +ATOM 932 CG TYR A 115 4.556 -3.954 1.826 1.00 16.02 C +ATOM 933 CD1 TYR A 115 5.159 -2.779 2.226 1.00 14.22 C +ATOM 934 CE1 TYR A 115 6.236 -2.770 3.059 1.00 13.42 C +ATOM 935 CZ TYR A 115 6.735 -3.950 3.563 1.00 17.17 C +ATOM 936 OH TYR A 115 7.822 -3.893 4.430 1.00 14.11 O +ATOM 937 CE2 TYR A 115 6.156 -5.157 3.195 1.00 15.96 C +ATOM 938 CD2 TYR A 115 5.076 -5.152 2.331 1.00 18.31 C +ATOM 939 C TYR A 115 2.578 -3.556 -1.496 1.00 13.25 C +ATOM 940 O TYR A 115 3.112 -4.264 -2.333 1.00 12.92 O +ATOM 941 N ALA A 116 1.272 -3.244 -1.524 1.00 11.18 N +ATOM 942 CA ALA A 116 0.378 -3.644 -2.626 1.00 10.79 C +ATOM 943 CB ALA A 116 -1.030 -3.160 -2.328 1.00 11.53 C +ATOM 944 C ALA A 116 0.883 -3.072 -3.969 1.00 12.39 C +ATOM 945 O ALA A 116 0.976 -3.781 -4.968 1.00 9.32 O +ATOM 946 N LEU A 117 1.307 -1.803 -3.960 1.00 11.10 N +ATOM 947 CA LEU A 117 1.793 -1.174 -5.192 1.00 12.43 C +ATOM 948 CB LEU A 117 2.021 0.336 -4.980 1.00 9.99 C +ATOM 949 CG LEU A 117 0.732 1.105 -4.829 1.00 12.19 C +ATOM 950 CD1 LEU A 117 1.067 2.545 -4.468 1.00 14.38 C +ATOM 951 CD2 LEU A 117 -0.071 1.040 -6.123 1.00 10.14 C +ATOM 952 C LEU A 117 3.062 -1.832 -5.692 1.00 10.88 C +ATOM 953 O LEU A 117 3.231 -2.090 -6.909 1.00 11.53 O +ATOM 954 N MET A 118 3.969 -2.096 -4.748 1.00 10.42 N +ATOM 955 CA MET A 118 5.201 -2.771 -5.073 1.00 10.48 C +ATOM 956 CB MET A 118 6.032 -2.963 -3.833 1.00 13.13 C +ATOM 957 CG MET A 118 6.762 -1.697 -3.397 1.00 14.60 C +ATOM 958 SD MET A 118 7.500 -2.061 -1.777 1.00 14.44 S +ATOM 959 CE MET A 118 8.512 -0.606 -1.567 1.00 20.16 C +ATOM 960 C MET A 118 4.967 -4.096 -5.740 1.00 9.46 C +ATOM 961 O MET A 118 5.547 -4.372 -6.811 1.00 8.61 O +ATOM 962 N GLY A 119 4.128 -4.921 -5.109 1.00 7.77 N +ATOM 963 CA GLY A 119 3.780 -6.215 -5.668 1.00 11.08 C +ATOM 964 C GLY A 119 3.013 -6.118 -7.011 1.00 11.34 C +ATOM 965 O GLY A 119 3.228 -6.907 -7.928 1.00 8.29 O +ATOM 966 N TYR A 120 2.094 -5.146 -7.090 1.00 11.77 N +ATOM 967 CA TYR A 120 1.310 -4.902 -8.270 1.00 10.79 C +ATOM 968 CB TYR A 120 0.268 -3.789 -8.056 1.00 9.35 C +ATOM 969 CG TYR A 120 -0.656 -3.729 -9.246 1.00 8.93 C +ATOM 970 CD1 TYR A 120 -1.761 -4.582 -9.374 1.00 8.49 C +ATOM 971 CE1 TYR A 120 -2.583 -4.520 -10.496 1.00 7.07 C +ATOM 972 CZ TYR A 120 -2.276 -3.617 -11.508 1.00 7.22 C +ATOM 973 OH TYR A 120 -2.971 -3.472 -12.648 1.00 5.80 O +ATOM 974 CE2 TYR A 120 -1.183 -2.785 -11.390 1.00 8.41 C +ATOM 975 CD2 TYR A 120 -0.395 -2.853 -10.276 1.00 8.76 C +ATOM 976 C TYR A 120 2.201 -4.575 -9.482 1.00 11.63 C +ATOM 977 O TYR A 120 2.107 -5.247 -10.564 1.00 7.78 O +ATOM 978 N VAL A 121 3.017 -3.519 -9.321 1.00 12.00 N +ATOM 979 CA VAL A 121 3.800 -2.988 -10.441 1.00 9.62 C +ATOM 980 CB VAL A 121 4.453 -1.625 -10.146 1.00 9.65 C +ATOM 981 CG1 VAL A 121 5.414 -1.209 -11.276 1.00 9.29 C +ATOM 982 CG2 VAL A 121 3.388 -0.562 -9.926 1.00 10.90 C +ATOM 983 C VAL A 121 4.821 -4.036 -10.855 1.00 10.36 C +ATOM 984 O VAL A 121 4.985 -4.342 -12.051 1.00 9.00 O +ATOM 985 N TRP A 122 5.474 -4.644 -9.863 1.00 10.35 N +ATOM 986 CA TRP A 122 6.471 -5.652 -10.166 1.00 10.59 C +ATOM 987 CB TRP A 122 7.098 -6.217 -8.883 1.00 11.33 C +ATOM 988 CG TRP A 122 8.104 -7.242 -9.233 1.00 11.45 C +ATOM 989 CD1 TRP A 122 9.278 -7.032 -9.857 1.00 12.33 C +ATOM 990 NE1 TRP A 122 9.919 -8.220 -10.058 1.00 12.12 N +ATOM 991 CE2 TRP A 122 9.141 -9.230 -9.567 1.00 12.27 C +ATOM 992 CD2 TRP A 122 7.981 -8.647 -9.059 1.00 13.87 C +ATOM 993 CE3 TRP A 122 7.004 -9.467 -8.500 1.00 17.98 C +ATOM 994 CZ3 TRP A 122 7.228 -10.841 -8.476 1.00 18.17 C +ATOM 995 CH2 TRP A 122 8.392 -11.399 -9.011 1.00 14.65 C +ATOM 996 CZ2 TRP A 122 9.360 -10.612 -9.550 1.00 14.95 C +ATOM 997 C TRP A 122 5.866 -6.834 -10.982 1.00 10.52 C +ATOM 998 O TRP A 122 6.376 -7.200 -12.039 1.00 6.62 O +ATOM 999 N LEU A 123 4.798 -7.431 -10.436 1.00 9.99 N +ATOM 1000 CA LEU A 123 4.236 -8.639 -10.992 1.00 12.53 C +ATOM 1001 CB LEU A 123 3.242 -9.306 -10.025 1.00 12.84 C +ATOM 1002 CG LEU A 123 2.717 -10.640 -10.622 1.00 16.41 C +ATOM 1003 CD1 LEU A 123 3.851 -11.614 -10.939 1.00 17.09 C +ATOM 1004 CD2 LEU A 123 1.678 -11.292 -9.719 1.00 18.37 C +ATOM 1005 C LEU A 123 3.578 -8.340 -12.350 1.00 12.42 C +ATOM 1006 O LEU A 123 3.724 -9.102 -13.289 1.00 9.14 O +ATOM 1007 N ARG A 124 2.880 -7.201 -12.438 1.00 12.68 N +ATOM 1008 CA ARG A 124 2.221 -6.812 -13.684 1.00 13.93 C +ATOM 1009 CB ARG A 124 1.417 -5.541 -13.460 1.00 14.88 C +ATOM 1010 CG ARG A 124 0.528 -5.098 -14.593 1.00 18.68 C +ATOM 1011 CD ARG A 124 -0.784 -5.868 -14.693 1.00 18.98 C +ATOM 1012 NE ARG A 124 -1.470 -5.582 -15.960 1.00 18.18 N +ATOM 1013 CZ ARG A 124 -2.321 -4.576 -16.184 1.00 17.39 C +ATOM 1014 NH1 ARG A 124 -2.663 -3.708 -15.249 1.00 15.90 N +ATOM 1015 NH2 ARG A 124 -2.867 -4.452 -17.369 1.00 19.04 N +ATOM 1016 C ARG A 124 3.280 -6.664 -14.777 1.00 11.93 C +ATOM 1017 O ARG A 124 3.098 -7.141 -15.879 1.00 11.11 O +ATOM 1018 N GLY A 125 4.393 -6.009 -14.432 1.00 11.83 N +ATOM 1019 CA GLY A 125 5.570 -5.927 -15.273 1.00 13.33 C +ATOM 1020 C GLY A 125 6.050 -7.286 -15.737 1.00 12.39 C +ATOM 1021 O GLY A 125 6.206 -7.513 -16.921 1.00 14.55 O +ATOM 1022 N GLU A 126 6.255 -8.206 -14.797 1.00 15.51 N +ATOM 1023 CA GLU A 126 6.746 -9.536 -15.137 1.00 19.50 C +ATOM 1024 CB GLU A 126 7.039 -10.355 -13.869 1.00 21.28 C +ATOM 1025 CG GLU A 126 8.192 -9.810 -13.037 1.00 25.78 C +ATOM 1026 CD GLU A 126 9.507 -9.667 -13.814 1.00 27.78 C +ATOM 1027 OE1 GLU A 126 10.253 -10.654 -13.907 1.00 26.10 O +ATOM 1028 OE2 GLU A 126 9.809 -8.552 -14.316 1.00 34.29 O +ATOM 1029 C GLU A 126 5.807 -10.314 -16.067 1.00 22.38 C +ATOM 1030 O GLU A 126 6.267 -10.978 -16.989 1.00 19.45 O +ATOM 1031 N ARG A 127 4.493 -10.236 -15.816 1.00 24.01 N +ATOM 1032 CA ARG A 127 3.518 -11.098 -16.495 1.00 25.28 C +ATOM 1033 CB ARG A 127 2.382 -11.466 -15.540 1.00 25.96 C +ATOM 1034 CG ARG A 127 2.787 -12.411 -14.416 1.00 30.58 C +ATOM 1035 CD ARG A 127 1.581 -13.121 -13.799 1.00 33.46 C +ATOM 1036 NE ARG A 127 1.003 -14.101 -14.719 1.00 30.34 N +ATOM 1037 CZ ARG A 127 -0.292 -14.237 -15.015 1.00 37.18 C +ATOM 1038 NH1 ARG A 127 -1.225 -13.501 -14.432 1.00 48.05 N +ATOM 1039 NH2 ARG A 127 -0.666 -15.148 -15.897 1.00 35.07 N +ATOM 1040 C ARG A 127 2.929 -10.485 -17.761 1.00 25.09 C +ATOM 1041 O ARG A 127 2.431 -11.182 -18.611 1.00 38.00 O +ATOM 1042 N ASP A 128 2.991 -9.161 -17.870 1.00 30.78 N +ATOM 1043 CA ASP A 128 2.188 -8.414 -18.819 1.00 27.85 C +ATOM 1044 CB ASP A 128 0.866 -8.053 -18.129 1.00 37.74 C +ATOM 1045 CG ASP A 128 -0.161 -7.438 -19.057 1.00 32.34 C +ATOM 1046 OD1 ASP A 128 -0.006 -7.503 -20.296 1.00 34.10 O +ATOM 1047 OD2 ASP A 128 -1.147 -6.893 -18.503 1.00 23.64 O +ATOM 1048 C ASP A 128 3.015 -7.181 -19.165 1.00 29.31 C +ATOM 1049 O ASP A 128 2.616 -6.051 -18.889 1.00 21.22 O +ATOM 1050 N PRO A 129 4.226 -7.395 -19.731 1.00 31.44 N +ATOM 1051 CA PRO A 129 5.109 -6.314 -20.169 1.00 33.06 C +ATOM 1052 CB PRO A 129 5.948 -7.003 -21.263 1.00 39.26 C +ATOM 1053 CG PRO A 129 5.945 -8.464 -20.915 1.00 36.32 C +ATOM 1054 CD PRO A 129 4.830 -8.724 -19.941 1.00 33.88 C +ATOM 1055 C PRO A 129 4.489 -5.026 -20.743 1.00 26.37 C +ATOM 1056 O PRO A 129 4.764 -3.952 -20.239 1.00 36.71 O +ATOM 1057 N GLN A 130 3.697 -5.132 -21.807 1.00 29.64 N +ATOM 1058 CA GLN A 130 3.330 -3.943 -22.569 1.00 39.65 C +ATOM 1059 CB GLN A 130 3.517 -4.154 -24.087 1.00 44.02 C +ATOM 1060 CG GLN A 130 4.795 -4.886 -24.528 1.00 46.53 C +ATOM 1061 CD GLN A 130 6.113 -4.367 -23.934 1.00 48.57 C +ATOM 1062 OE1 GLN A 130 6.153 -3.534 -23.020 1.00 39.00 O +ATOM 1063 NE2 GLN A 130 7.210 -4.888 -24.463 1.00 49.29 N +ATOM 1064 C GLN A 130 1.940 -3.380 -22.244 1.00 40.56 C +ATOM 1065 O GLN A 130 1.258 -2.836 -23.110 1.00 43.17 O +ATOM 1066 N SER A 131 1.541 -3.499 -20.974 1.00 36.80 N +ATOM 1067 CA SER A 131 0.605 -2.561 -20.361 1.00 34.27 C +ATOM 1068 CB SER A 131 -0.082 -3.172 -19.139 1.00 42.18 C +ATOM 1069 OG SER A 131 0.777 -4.049 -18.428 1.00 46.33 O +ATOM 1070 C SER A 131 1.388 -1.294 -19.981 1.00 33.35 C +ATOM 1071 O SER A 131 0.791 -0.296 -19.554 1.00 24.86 O +ATOM 1072 N GLY A 132 2.724 -1.359 -20.153 1.00 25.71 N +ATOM 1073 CA GLY A 132 3.627 -0.240 -20.001 1.00 23.70 C +ATOM 1074 C GLY A 132 3.926 0.067 -18.541 1.00 30.35 C +ATOM 1075 O GLY A 132 4.341 1.179 -18.207 1.00 28.25 O +ATOM 1076 N ILE A 133 3.704 -0.916 -17.663 1.00 25.82 N +ATOM 1077 CA ILE A 133 3.998 -0.763 -16.254 1.00 31.87 C +ATOM 1078 CB ILE A 133 2.686 -0.724 -15.403 1.00 36.08 C +ATOM 1079 CG1 ILE A 133 2.872 0.176 -14.185 1.00 45.14 C +ATOM 1080 CD1 ILE A 133 2.061 -0.228 -12.962 1.00 52.13 C +ATOM 1081 CG2 ILE A 133 2.203 -2.122 -15.014 1.00 34.59 C +ATOM 1082 C ILE A 133 4.976 -1.885 -15.849 1.00 32.43 C +ATOM 1083 O ILE A 133 4.755 -3.067 -16.148 1.00 27.54 O +ATOM 1084 N TYR A 134 6.081 -1.500 -15.201 1.00 29.47 N +ATOM 1085 CA TYR A 134 7.049 -2.463 -14.656 1.00 28.04 C +ATOM 1086 CB TYR A 134 7.937 -3.039 -15.770 1.00 25.02 C +ATOM 1087 CG TYR A 134 8.900 -2.022 -16.317 1.00 32.76 C +ATOM 1088 CD1 TYR A 134 8.461 -1.022 -17.198 1.00 39.16 C +ATOM 1089 CE1 TYR A 134 9.341 -0.073 -17.699 1.00 39.45 C +ATOM 1090 CZ TYR A 134 10.674 -0.114 -17.314 1.00 37.28 C +ATOM 1091 OH TYR A 134 11.542 0.820 -17.815 1.00 41.33 O +ATOM 1092 CE2 TYR A 134 11.135 -1.092 -16.446 1.00 34.47 C +ATOM 1093 CD2 TYR A 134 10.253 -2.039 -15.955 1.00 36.92 C +ATOM 1094 C TYR A 134 7.906 -1.803 -13.575 1.00 22.78 C +ATOM 1095 O TYR A 134 7.943 -0.587 -13.446 1.00 15.53 O +ATOM 1096 N LEU A 135 8.584 -2.631 -12.782 1.00 20.92 N +ATOM 1097 CA LEU A 135 9.495 -2.154 -11.752 1.00 20.28 C +ATOM 1098 CB LEU A 135 9.165 -2.810 -10.405 1.00 17.40 C +ATOM 1099 CG LEU A 135 9.821 -2.159 -9.195 1.00 19.59 C +ATOM 1100 CD1 LEU A 135 9.403 -0.705 -9.022 1.00 19.86 C +ATOM 1101 CD2 LEU A 135 9.497 -2.957 -7.948 1.00 18.34 C +ATOM 1102 C LEU A 135 10.906 -2.493 -12.240 1.00 19.49 C +ATOM 1103 O LEU A 135 11.294 -3.664 -12.280 1.00 21.86 O +ATOM 1104 N GLN A 136 11.657 -1.461 -12.640 1.00 18.05 N +ATOM 1105 CA GLN A 136 13.041 -1.614 -13.051 1.00 17.10 C +ATOM 1106 CB GLN A 136 13.665 -0.236 -13.417 1.00 26.31 C +ATOM 1107 CG GLN A 136 14.777 -0.294 -14.464 1.00 39.12 C +ATOM 1108 CD GLN A 136 15.318 1.074 -14.929 1.00 50.37 C +ATOM 1109 OE1 GLN A 136 15.077 1.483 -16.069 1.00 73.70 O +ATOM 1110 NE2 GLN A 136 16.074 1.760 -14.071 1.00 44.72 N +ATOM 1111 C GLN A 136 13.819 -2.347 -11.919 1.00 11.77 C +ATOM 1112 O GLN A 136 13.624 -2.081 -10.726 1.00 9.83 O +ATOM 1113 N ARG A 137 14.635 -3.319 -12.325 1.00 9.13 N +ATOM 1114 CA ARG A 137 15.623 -4.027 -11.511 1.00 9.26 C +ATOM 1115 CB ARG A 137 16.822 -4.296 -12.412 1.00 9.45 C +ATOM 1116 CG ARG A 137 16.655 -5.482 -13.326 1.00 7.99 C +ATOM 1117 CD ARG A 137 17.906 -5.620 -14.157 1.00 8.29 C +ATOM 1118 NE ARG A 137 17.924 -6.937 -14.724 1.00 7.81 N +ATOM 1119 CZ ARG A 137 18.919 -7.440 -15.404 1.00 6.98 C +ATOM 1120 NH1 ARG A 137 20.015 -6.751 -15.648 1.00 7.55 N +ATOM 1121 NH2 ARG A 137 18.810 -8.667 -15.831 1.00 7.93 N +ATOM 1122 C ARG A 137 16.142 -3.294 -10.287 1.00 9.30 C +ATOM 1123 O ARG A 137 15.964 -3.717 -9.137 1.00 7.70 O +ATOM 1124 N GLY A 138 16.804 -2.165 -10.552 1.00 10.91 N +ATOM 1125 CA GLY A 138 17.296 -1.302 -9.512 1.00 11.21 C +ATOM 1126 C GLY A 138 16.267 -1.061 -8.463 1.00 11.70 C +ATOM 1127 O GLY A 138 16.453 -1.386 -7.307 1.00 13.34 O +ATOM 1128 N LEU A 139 15.144 -0.470 -8.863 1.00 14.08 N +ATOM 1129 CA LEU A 139 14.143 -0.162 -7.901 1.00 18.01 C +ATOM 1130 CB LEU A 139 13.005 0.709 -8.473 1.00 28.25 C +ATOM 1131 CG LEU A 139 13.298 2.216 -8.567 1.00 37.18 C +ATOM 1132 CD1 LEU A 139 13.818 2.750 -7.239 1.00 34.03 C +ATOM 1133 CD2 LEU A 139 14.282 2.529 -9.694 1.00 43.14 C +ATOM 1134 C LEU A 139 13.598 -1.384 -7.233 1.00 12.45 C +ATOM 1135 O LEU A 139 13.144 -1.278 -6.108 1.00 12.20 O +ATOM 1136 N ILE A 140 13.570 -2.529 -7.924 1.00 12.62 N +ATOM 1137 CA ILE A 140 13.024 -3.706 -7.258 1.00 18.00 C +ATOM 1138 CB ILE A 140 12.508 -4.849 -8.159 1.00 27.50 C +ATOM 1139 CG1 ILE A 140 12.133 -6.129 -7.323 1.00 57.40 C +ATOM 1140 CD1 ILE A 140 11.057 -6.010 -6.219 1.00 51.20 C +ATOM 1141 CG2 ILE A 140 13.497 -5.201 -9.227 1.00 31.26 C +ATOM 1142 C ILE A 140 13.980 -4.206 -6.206 1.00 14.01 C +ATOM 1143 O ILE A 140 13.523 -4.655 -5.163 1.00 12.52 O +ATOM 1144 N ILE A 141 15.293 -4.066 -6.443 1.00 10.25 N +ATOM 1145 CA ILE A 141 16.231 -4.301 -5.364 1.00 9.31 C +ATOM 1146 CB ILE A 141 17.662 -4.035 -5.787 1.00 9.76 C +ATOM 1147 CG1 ILE A 141 18.116 -5.203 -6.656 1.00 10.18 C +ATOM 1148 CD1 ILE A 141 18.026 -6.534 -5.937 1.00 11.74 C +ATOM 1149 CG2 ILE A 141 18.551 -3.769 -4.557 1.00 8.46 C +ATOM 1150 C ILE A 141 15.859 -3.453 -4.140 1.00 8.65 C +ATOM 1151 O ILE A 141 15.760 -3.974 -3.011 1.00 8.01 O +ATOM 1152 N PHE A 142 15.607 -2.162 -4.359 1.00 7.17 N +ATOM 1153 CA PHE A 142 15.386 -1.278 -3.241 1.00 6.50 C +ATOM 1154 CB PHE A 142 15.615 0.176 -3.648 1.00 6.27 C +ATOM 1155 CG PHE A 142 17.033 0.460 -4.064 1.00 6.80 C +ATOM 1156 CD1 PHE A 142 18.081 0.379 -3.141 1.00 6.62 C +ATOM 1157 CE1 PHE A 142 19.376 0.632 -3.523 1.00 5.81 C +ATOM 1158 CZ PHE A 142 19.651 0.943 -4.827 1.00 6.29 C +ATOM 1159 CE2 PHE A 142 18.649 1.028 -5.756 1.00 5.97 C +ATOM 1160 CD2 PHE A 142 17.353 0.774 -5.389 1.00 6.58 C +ATOM 1161 C PHE A 142 14.034 -1.564 -2.596 1.00 7.08 C +ATOM 1162 O PHE A 142 13.867 -1.430 -1.356 1.00 6.64 O +ATOM 1163 N ALA A 143 13.066 -2.009 -3.410 1.00 7.18 N +ATOM 1164 CA ALA A 143 11.784 -2.410 -2.859 1.00 7.45 C +ATOM 1165 CB ALA A 143 10.753 -2.709 -3.944 1.00 8.30 C +ATOM 1166 C ALA A 143 11.991 -3.633 -1.984 1.00 8.58 C +ATOM 1167 O ALA A 143 11.497 -3.730 -0.844 1.00 8.72 O +ATOM 1168 N LEU A 144 12.753 -4.575 -2.525 1.00 8.93 N +ATOM 1169 CA LEU A 144 13.036 -5.788 -1.833 1.00 10.41 C +ATOM 1170 CB LEU A 144 13.729 -6.719 -2.790 1.00 9.30 C +ATOM 1171 CG LEU A 144 13.995 -8.114 -2.266 1.00 12.78 C +ATOM 1172 CD1 LEU A 144 12.729 -8.868 -1.879 1.00 12.69 C +ATOM 1173 CD2 LEU A 144 14.805 -8.864 -3.332 1.00 12.97 C +ATOM 1174 C LEU A 144 13.787 -5.549 -0.461 1.00 10.09 C +ATOM 1175 O LEU A 144 13.441 -6.139 0.568 1.00 9.09 O +ATOM 1176 N ILE A 145 14.778 -4.654 -0.455 1.00 9.56 N +ATOM 1177 CA ILE A 145 15.456 -4.271 0.778 1.00 9.18 C +ATOM 1178 CB ILE A 145 16.641 -3.309 0.469 1.00 9.69 C +ATOM 1179 CG1 ILE A 145 17.802 -4.055 -0.198 1.00 8.27 C +ATOM 1180 CD1 ILE A 145 18.862 -3.150 -0.760 1.00 8.96 C +ATOM 1181 CG2 ILE A 145 17.200 -2.668 1.716 1.00 9.74 C +ATOM 1182 C ILE A 145 14.456 -3.656 1.794 1.00 10.93 C +ATOM 1183 O ILE A 145 14.517 -3.953 2.986 1.00 9.25 O +ATOM 1184 N TRP A 146 13.548 -2.798 1.309 1.00 12.33 N +ATOM 1185 CA TRP A 146 12.535 -2.162 2.152 1.00 15.03 C +ATOM 1186 CB TRP A 146 11.660 -1.201 1.320 1.00 16.66 C +ATOM 1187 CG TRP A 146 11.018 -0.145 2.175 1.00 23.89 C +ATOM 1188 CD1 TRP A 146 9.671 0.050 2.425 1.00 22.13 C +ATOM 1189 NE1 TRP A 146 9.516 1.114 3.299 1.00 25.00 N +ATOM 1190 CE2 TRP A 146 10.758 1.605 3.618 1.00 28.39 C +ATOM 1191 CD2 TRP A 146 11.716 0.842 2.926 1.00 25.86 C +ATOM 1192 CE3 TRP A 146 13.078 1.158 3.074 1.00 33.64 C +ATOM 1193 CZ3 TRP A 146 13.435 2.215 3.906 1.00 35.89 C +ATOM 1194 CH2 TRP A 146 12.453 2.957 4.572 1.00 33.24 C +ATOM 1195 CZ2 TRP A 146 11.116 2.662 4.445 1.00 32.56 C +ATOM 1196 C TRP A 146 11.662 -3.228 2.845 1.00 13.29 C +ATOM 1197 O TRP A 146 11.397 -3.172 4.046 1.00 11.57 O +ATOM 1198 N ILE A 147 11.278 -4.238 2.072 1.00 12.37 N +ATOM 1199 CA ILE A 147 10.459 -5.341 2.569 1.00 13.81 C +ATOM 1200 CB ILE A 147 9.994 -6.230 1.389 1.00 13.43 C +ATOM 1201 CG1 ILE A 147 9.009 -5.463 0.486 1.00 14.72 C +ATOM 1202 CD1 ILE A 147 8.755 -6.170 -0.828 1.00 17.13 C +ATOM 1203 CG2 ILE A 147 9.330 -7.493 1.883 1.00 13.86 C +ATOM 1204 C ILE A 147 11.230 -6.150 3.610 1.00 11.85 C +ATOM 1205 O ILE A 147 10.708 -6.496 4.637 1.00 11.58 O +ATOM 1206 N VAL A 148 12.502 -6.441 3.329 1.00 13.87 N +ATOM 1207 CA VAL A 148 13.359 -7.127 4.287 1.00 12.37 C +ATOM 1208 CB VAL A 148 14.749 -7.401 3.696 1.00 13.53 C +ATOM 1209 CG1 VAL A 148 15.671 -8.006 4.744 1.00 12.17 C +ATOM 1210 CG2 VAL A 148 14.635 -8.366 2.510 1.00 14.45 C +ATOM 1211 C VAL A 148 13.481 -6.327 5.600 1.00 12.18 C +ATOM 1212 O VAL A 148 13.473 -6.904 6.692 1.00 10.26 O +ATOM 1213 N ALA A 149 13.624 -5.001 5.487 1.00 12.37 N +ATOM 1214 CA ALA A 149 13.775 -4.133 6.653 1.00 13.92 C +ATOM 1215 CB ALA A 149 13.865 -2.682 6.230 1.00 12.52 C +ATOM 1216 C ALA A 149 12.559 -4.314 7.577 1.00 19.91 C +ATOM 1217 O ALA A 149 12.705 -4.515 8.802 1.00 18.95 O +ATOM 1218 N GLY A 150 11.376 -4.237 6.960 1.00 15.29 N +ATOM 1219 CA GLY A 150 10.098 -4.395 7.645 1.00 21.90 C +ATOM 1220 C GLY A 150 9.979 -5.766 8.285 1.00 21.19 C +ATOM 1221 O GLY A 150 9.632 -5.864 9.467 1.00 20.08 O +ATOM 1222 N TRP A 151 10.343 -6.814 7.539 1.00 14.25 N +ATOM 1223 CA TRP A 151 10.147 -8.166 8.019 1.00 16.10 C +ATOM 1224 CB TRP A 151 10.466 -9.212 6.930 1.00 21.32 C +ATOM 1225 CG TRP A 151 10.058 -10.557 7.388 1.00 26.58 C +ATOM 1226 CD1 TRP A 151 10.862 -11.596 7.786 1.00 28.90 C +ATOM 1227 NE1 TRP A 151 10.098 -12.663 8.187 1.00 29.20 N +ATOM 1228 CE2 TRP A 151 8.771 -12.314 8.102 1.00 43.17 C +ATOM 1229 CD2 TRP A 151 8.711 -10.986 7.605 1.00 43.04 C +ATOM 1230 CE3 TRP A 151 7.451 -10.381 7.413 1.00 35.00 C +ATOM 1231 CZ3 TRP A 151 6.312 -11.101 7.726 1.00 39.38 C +ATOM 1232 CH2 TRP A 151 6.399 -12.427 8.222 1.00 36.13 C +ATOM 1233 CZ2 TRP A 151 7.613 -13.046 8.416 1.00 47.28 C +ATOM 1234 C TRP A 151 10.989 -8.449 9.284 1.00 16.03 C +ATOM 1235 O TRP A 151 10.527 -9.014 10.254 1.00 20.42 O +ATOM 1236 N PHE A 152 12.255 -8.055 9.249 1.00 13.13 N +ATOM 1237 CA PHE A 152 13.160 -8.288 10.326 1.00 9.38 C +ATOM 1238 CB PHE A 152 14.541 -8.605 9.751 1.00 8.08 C +ATOM 1239 CG PHE A 152 14.605 -9.910 9.054 1.00 6.45 C +ATOM 1240 CD1 PHE A 152 14.714 -11.067 9.772 1.00 6.02 C +ATOM 1241 CE1 PHE A 152 14.782 -12.295 9.131 1.00 6.85 C +ATOM 1242 CZ PHE A 152 14.707 -12.356 7.747 1.00 6.58 C +ATOM 1243 CE2 PHE A 152 14.561 -11.185 7.023 1.00 6.07 C +ATOM 1244 CD2 PHE A 152 14.521 -9.972 7.682 1.00 6.21 C +ATOM 1245 C PHE A 152 13.195 -7.097 11.273 1.00 9.61 C +ATOM 1246 O PHE A 152 13.997 -7.057 12.134 1.00 10.68 O +ATOM 1247 N ASP A 153 12.272 -6.150 11.120 1.00 15.13 N +ATOM 1248 CA ASP A 153 12.144 -5.003 12.011 1.00 18.45 C +ATOM 1249 CB ASP A 153 11.550 -5.333 13.411 1.00 27.46 C +ATOM 1250 CG ASP A 153 11.031 -4.030 14.145 1.00 33.43 C +ATOM 1251 OD1 ASP A 153 10.690 -3.046 13.421 1.00 34.18 O +ATOM 1252 OD2 ASP A 153 11.007 -3.962 15.406 1.00 24.69 O +ATOM 1253 C ASP A 153 13.445 -4.276 12.193 1.00 15.88 C +ATOM 1254 O ASP A 153 13.898 -4.055 13.303 1.00 13.39 O +ATOM 1255 N LEU A 154 14.023 -3.844 11.074 1.00 15.14 N +ATOM 1256 CA LEU A 154 15.277 -3.125 11.116 1.00 16.65 C +ATOM 1257 CB LEU A 154 16.030 -3.370 9.801 1.00 12.61 C +ATOM 1258 CG LEU A 154 16.365 -4.855 9.545 1.00 10.24 C +ATOM 1259 CD1 LEU A 154 17.150 -5.025 8.231 1.00 11.72 C +ATOM 1260 CD2 LEU A 154 17.125 -5.461 10.697 1.00 8.03 C +ATOM 1261 C LEU A 154 15.056 -1.635 11.464 1.00 17.35 C +ATOM 1262 O LEU A 154 15.983 -0.879 11.541 1.00 22.93 O +ATOM 1263 N PHE A 155 13.814 -1.266 11.766 1.00 24.98 N +ATOM 1264 CA PHE A 155 13.387 0.109 12.027 1.00 33.79 C +ATOM 1265 CB PHE A 155 12.072 0.342 11.316 1.00 27.67 C +ATOM 1266 CG PHE A 155 12.207 0.424 9.822 1.00 32.42 C +ATOM 1267 CD1 PHE A 155 13.134 1.291 9.237 1.00 22.21 C +ATOM 1268 CE1 PHE A 155 13.233 1.397 7.864 1.00 25.70 C +ATOM 1269 CZ PHE A 155 12.402 0.645 7.051 1.00 29.02 C +ATOM 1270 CE2 PHE A 155 11.473 -0.223 7.617 1.00 43.09 C +ATOM 1271 CD2 PHE A 155 11.373 -0.328 8.998 1.00 34.21 C +ATOM 1272 C PHE A 155 13.159 0.419 13.490 1.00 37.83 C +ATOM 1273 O PHE A 155 13.308 -0.463 14.339 1.00 28.41 O +ATOM 1274 N GLY A 156 12.797 1.687 13.756 1.00 38.40 N +ATOM 1275 CA GLY A 156 12.450 2.185 15.075 1.00 35.24 C +ATOM 1276 C GLY A 156 11.396 1.372 15.820 1.00 26.60 C +ATOM 1277 O GLY A 156 11.705 0.631 16.725 1.00 47.21 O +ATOM 1278 N MET A 157 10.136 1.525 15.442 1.00 24.95 N +ATOM 1279 CA MET A 157 9.049 0.928 16.186 1.00 28.59 C +ATOM 1280 CB MET A 157 7.849 1.879 16.250 1.00 39.60 C +ATOM 1281 CG MET A 157 6.919 1.987 15.032 1.00 47.28 C +ATOM 1282 SD MET A 157 5.221 2.488 15.537 1.00 49.14 S +ATOM 1283 CE MET A 157 5.555 4.014 16.445 1.00 47.84 C +ATOM 1284 C MET A 157 8.685 -0.422 15.603 1.00 26.25 C +ATOM 1285 O MET A 157 9.268 -0.822 14.633 1.00 24.50 O +ATOM 1286 N SER A 158 7.712 -1.114 16.208 1.00 24.79 N +ATOM 1287 CA SER A 158 7.184 -2.358 15.668 1.00 25.23 C +ATOM 1288 CB SER A 158 6.162 -2.943 16.610 1.00 32.87 C +ATOM 1289 OG SER A 158 6.737 -3.081 17.863 1.00 32.23 O +ATOM 1290 C SER A 158 6.538 -2.198 14.284 1.00 23.56 C +ATOM 1291 O SER A 158 5.947 -1.168 13.940 1.00 17.24 O +ATOM 1292 N MET A 159 6.668 -3.246 13.479 1.00 22.08 N +ATOM 1293 CA MET A 159 6.131 -3.225 12.144 1.00 24.12 C +ATOM 1294 CB MET A 159 7.080 -3.950 11.171 1.00 30.07 C +ATOM 1295 CG MET A 159 8.393 -3.212 10.927 1.00 25.31 C +ATOM 1296 SD MET A 159 8.215 -1.751 9.906 1.00 33.07 S +ATOM 1297 CE MET A 159 8.288 -0.504 11.209 1.00 33.31 C +ATOM 1298 C MET A 159 4.773 -3.898 12.197 1.00 18.37 C +ATOM 1299 O MET A 159 4.547 -4.846 12.958 1.00 14.74 O +ATOM 1300 N ALA A 160 3.851 -3.399 11.379 1.00 17.85 N +ATOM 1301 CA ALA A 160 2.554 -4.045 11.225 1.00 14.05 C +ATOM 1302 CB ALA A 160 1.534 -3.010 10.713 1.00 15.78 C +ATOM 1303 C ALA A 160 2.806 -5.172 10.227 1.00 12.19 C +ATOM 1304 O ALA A 160 2.717 -4.965 9.029 1.00 12.07 O +ATOM 1305 N ASN A 161 3.168 -6.355 10.739 1.00 13.53 N +ATOM 1306 CA ASN A 161 3.543 -7.489 9.892 1.00 19.51 C +ATOM 1307 CB ASN A 161 4.180 -8.630 10.669 1.00 17.89 C +ATOM 1308 CG ASN A 161 5.496 -8.232 11.317 1.00 22.17 C +ATOM 1309 OD1 ASN A 161 5.674 -8.424 12.513 1.00 33.97 O +ATOM 1310 ND2 ASN A 161 6.416 -7.682 10.540 1.00 23.40 N +ATOM 1311 C ASN A 161 2.358 -8.039 9.116 1.00 17.15 C +ATOM 1312 O ASN A 161 2.504 -8.438 7.962 1.00 12.86 O +ATOM 1313 N GLY A 162 1.178 -7.980 9.735 1.00 13.45 N +ATOM 1314 CA GLY A 162 -0.035 -8.445 9.097 1.00 13.72 C +ATOM 1315 C GLY A 162 -0.434 -7.526 7.981 1.00 11.46 C +ATOM 1316 O GLY A 162 -0.757 -7.987 6.917 1.00 13.83 O +ATOM 1317 N ALA A 163 -0.426 -6.214 8.234 1.00 12.52 N +ATOM 1318 CA ALA A 163 -0.695 -5.246 7.183 1.00 12.63 C +ATOM 1319 CB ALA A 163 -0.618 -3.805 7.684 1.00 14.33 C +ATOM 1320 C ALA A 163 0.283 -5.440 6.019 1.00 15.22 C +ATOM 1321 O ALA A 163 -0.100 -5.242 4.868 1.00 15.81 O +ATOM 1322 N HIS A 164 1.559 -5.737 6.316 1.00 16.26 N +ATOM 1323 CA HIS A 164 2.560 -5.848 5.242 1.00 13.79 C +ATOM 1324 CB HIS A 164 3.982 -5.892 5.775 1.00 13.42 C +ATOM 1325 CG HIS A 164 4.491 -4.560 6.218 1.00 13.02 C +ATOM 1326 ND1 HIS A 164 5.507 -4.419 7.136 1.00 17.19 N +ATOM 1327 CE1 HIS A 164 5.763 -3.139 7.318 1.00 14.34 C +ATOM 1328 NE2 HIS A 164 4.913 -2.437 6.593 1.00 14.26 N +ATOM 1329 CD2 HIS A 164 4.106 -3.306 5.894 1.00 16.05 C +ATOM 1330 C HIS A 164 2.292 -7.043 4.343 1.00 15.17 C +ATOM 1331 O HIS A 164 2.331 -6.914 3.109 1.00 9.69 O +ATOM 1332 N ILE A 165 2.031 -8.199 4.974 1.00 14.29 N +ATOM 1333 CA ILE A 165 1.845 -9.445 4.271 1.00 16.34 C +ATOM 1334 CB ILE A 165 1.694 -10.660 5.212 1.00 21.89 C +ATOM 1335 CG1 ILE A 165 2.894 -10.831 6.123 1.00 33.29 C +ATOM 1336 CD1 ILE A 165 2.571 -11.637 7.383 1.00 39.80 C +ATOM 1337 CG2 ILE A 165 1.550 -11.944 4.404 1.00 25.23 C +ATOM 1338 C ILE A 165 0.557 -9.324 3.450 1.00 13.49 C +ATOM 1339 O ILE A 165 0.525 -9.674 2.290 1.00 14.19 O +ATOM 1340 N ALA A 166 -0.507 -8.815 4.072 1.00 11.61 N +ATOM 1341 CA ALA A 166 -1.782 -8.678 3.408 1.00 12.97 C +ATOM 1342 CB ALA A 166 -2.811 -8.269 4.415 1.00 13.37 C +ATOM 1343 C ALA A 166 -1.742 -7.707 2.179 1.00 12.77 C +ATOM 1344 O ALA A 166 -2.297 -8.000 1.121 1.00 16.05 O +ATOM 1345 N GLY A 167 -1.041 -6.588 2.323 1.00 11.83 N +ATOM 1346 CA GLY A 167 -0.935 -5.569 1.294 1.00 12.25 C +ATOM 1347 C GLY A 167 -0.168 -6.142 0.118 1.00 16.57 C +ATOM 1348 O GLY A 167 -0.621 -6.066 -1.018 1.00 15.94 O +ATOM 1349 N LEU A 168 0.971 -6.783 0.405 1.00 16.37 N +ATOM 1350 CA LEU A 168 1.788 -7.406 -0.648 1.00 18.66 C +ATOM 1351 CB LEU A 168 3.027 -8.093 -0.065 1.00 16.91 C +ATOM 1352 CG LEU A 168 4.025 -8.754 -1.033 1.00 17.02 C +ATOM 1353 CD1 LEU A 168 4.516 -7.768 -2.092 1.00 16.33 C +ATOM 1354 CD2 LEU A 168 5.195 -9.274 -0.216 1.00 18.17 C +ATOM 1355 C LEU A 168 0.944 -8.437 -1.419 1.00 17.50 C +ATOM 1356 O LEU A 168 0.932 -8.418 -2.636 1.00 15.54 O +ATOM 1357 N ALA A 169 0.245 -9.313 -0.680 1.00 15.54 N +ATOM 1358 CA ALA A 169 -0.643 -10.315 -1.249 1.00 19.82 C +ATOM 1359 CB ALA A 169 -1.332 -11.102 -0.143 1.00 20.15 C +ATOM 1360 C ALA A 169 -1.698 -9.715 -2.178 1.00 17.04 C +ATOM 1361 O ALA A 169 -1.938 -10.229 -3.247 1.00 18.40 O +ATOM 1362 N VAL A 170 -2.356 -8.647 -1.720 1.00 16.33 N +ATOM 1363 CA VAL A 170 -3.389 -7.976 -2.502 1.00 15.30 C +ATOM 1364 CB VAL A 170 -3.990 -6.806 -1.708 1.00 15.13 C +ATOM 1365 CG1 VAL A 170 -4.709 -5.819 -2.610 1.00 17.24 C +ATOM 1366 CG2 VAL A 170 -4.949 -7.317 -0.691 1.00 17.75 C +ATOM 1367 C VAL A 170 -2.823 -7.466 -3.849 1.00 12.50 C +ATOM 1368 O VAL A 170 -3.435 -7.645 -4.890 1.00 15.58 O +ATOM 1369 N GLY A 171 -1.652 -6.834 -3.794 1.00 12.65 N +ATOM 1370 CA GLY A 171 -0.972 -6.306 -4.954 1.00 12.55 C +ATOM 1371 C GLY A 171 -0.666 -7.394 -5.979 1.00 12.05 C +ATOM 1372 O GLY A 171 -0.957 -7.269 -7.167 1.00 10.67 O +ATOM 1373 N LEU A 172 -0.032 -8.465 -5.506 1.00 12.60 N +ATOM 1374 CA LEU A 172 0.328 -9.595 -6.354 1.00 10.75 C +ATOM 1375 CB LEU A 172 1.052 -10.670 -5.554 1.00 10.43 C +ATOM 1376 CG LEU A 172 2.444 -10.231 -5.048 1.00 10.97 C +ATOM 1377 CD1 LEU A 172 3.068 -11.352 -4.219 1.00 10.41 C +ATOM 1378 CD2 LEU A 172 3.427 -9.740 -6.104 1.00 9.57 C +ATOM 1379 C LEU A 172 -0.913 -10.180 -7.027 1.00 10.15 C +ATOM 1380 O LEU A 172 -0.905 -10.472 -8.216 1.00 11.39 O +ATOM 1381 N ALA A 173 -1.988 -10.311 -6.252 1.00 11.33 N +ATOM 1382 CA ALA A 173 -3.220 -10.950 -6.681 1.00 11.38 C +ATOM 1383 CB ALA A 173 -4.119 -11.233 -5.467 1.00 11.60 C +ATOM 1384 C ALA A 173 -3.971 -10.124 -7.721 1.00 10.08 C +ATOM 1385 O ALA A 173 -4.545 -10.667 -8.641 1.00 6.75 O +ATOM 1386 N MET A 174 -4.022 -8.805 -7.512 1.00 11.63 N +ATOM 1387 CA MET A 174 -4.630 -7.921 -8.483 1.00 11.25 C +ATOM 1388 CB MET A 174 -4.822 -6.526 -7.911 1.00 12.02 C +ATOM 1389 CG MET A 174 -5.956 -6.449 -6.887 1.00 15.32 C +ATOM 1390 SD MET A 174 -6.047 -4.785 -6.163 1.00 15.04 S +ATOM 1391 CE MET A 174 -7.121 -3.976 -7.382 1.00 12.84 C +ATOM 1392 C MET A 174 -3.833 -7.881 -9.792 1.00 11.07 C +ATOM 1393 O MET A 174 -4.427 -7.776 -10.897 1.00 9.35 O +ATOM 1394 N ALA A 175 -2.498 -7.964 -9.668 1.00 11.79 N +ATOM 1395 CA ALA A 175 -1.603 -7.997 -10.827 1.00 11.52 C +ATOM 1396 CB ALA A 175 -0.134 -7.920 -10.395 1.00 12.52 C +ATOM 1397 C ALA A 175 -1.871 -9.244 -11.669 1.00 10.15 C +ATOM 1398 O ALA A 175 -1.958 -9.165 -12.872 1.00 9.36 O +ATOM 1399 N PHE A 176 -2.007 -10.382 -10.983 1.00 10.78 N +ATOM 1400 CA PHE A 176 -2.358 -11.679 -11.542 1.00 11.72 C +ATOM 1401 CB PHE A 176 -2.445 -12.732 -10.418 1.00 14.22 C +ATOM 1402 CG PHE A 176 -2.761 -14.091 -10.912 1.00 18.68 C +ATOM 1403 CD1 PHE A 176 -1.750 -14.951 -11.277 1.00 22.29 C +ATOM 1404 CE1 PHE A 176 -2.047 -16.194 -11.782 1.00 25.58 C +ATOM 1405 CZ PHE A 176 -3.362 -16.590 -11.931 1.00 24.53 C +ATOM 1406 CE2 PHE A 176 -4.380 -15.742 -11.574 1.00 25.31 C +ATOM 1407 CD2 PHE A 176 -4.076 -14.496 -11.066 1.00 23.15 C +ATOM 1408 C PHE A 176 -3.680 -11.619 -12.287 1.00 11.73 C +ATOM 1409 O PHE A 176 -3.774 -12.015 -13.462 1.00 11.14 O +ATOM 1410 N VAL A 177 -4.705 -11.112 -11.599 1.00 10.67 N +ATOM 1411 CA VAL A 177 -6.025 -10.972 -12.179 1.00 11.71 C +ATOM 1412 CB VAL A 177 -7.065 -10.455 -11.135 1.00 16.60 C +ATOM 1413 CG1 VAL A 177 -8.386 -10.024 -11.816 1.00 14.00 C +ATOM 1414 CG2 VAL A 177 -7.303 -11.520 -10.041 1.00 16.83 C +ATOM 1415 C VAL A 177 -5.962 -10.056 -13.401 1.00 8.91 C +ATOM 1416 O VAL A 177 -6.437 -10.424 -14.422 1.00 6.73 O +ATOM 1417 N ASP A 178 -5.336 -8.880 -13.272 1.00 9.91 N +ATOM 1418 CA ASP A 178 -5.197 -7.948 -14.398 1.00 10.55 C +ATOM 1419 CB ASP A 178 -4.608 -6.638 -13.976 1.00 9.42 C +ATOM 1420 CG ASP A 178 -5.508 -5.868 -13.045 1.00 12.66 C +ATOM 1421 OD1 ASP A 178 -6.660 -6.310 -12.846 1.00 10.80 O +ATOM 1422 OD2 ASP A 178 -5.084 -4.791 -12.520 1.00 9.20 O +ATOM 1423 C ASP A 178 -4.380 -8.495 -15.578 1.00 11.79 C +ATOM 1424 O ASP A 178 -4.586 -8.067 -16.709 1.00 11.79 O +ATOM 1425 N SER A 179 -3.502 -9.466 -15.305 1.00 15.85 N +ATOM 1426 CA SER A 179 -2.658 -10.101 -16.314 1.00 17.77 C +ATOM 1427 CB SER A 179 -1.473 -10.763 -15.642 1.00 18.19 C +ATOM 1428 OG SER A 179 -0.605 -9.801 -15.113 1.00 25.24 O +ATOM 1429 C SER A 179 -3.367 -11.185 -17.107 1.00 25.25 C +ATOM 1430 O SER A 179 -2.833 -11.682 -18.120 1.00 25.62 O +ATOM 1431 N LEU A 180 -4.540 -11.616 -16.632 1.00 26.63 N +ATOM 1432 CA LEU A 180 -5.271 -12.636 -17.357 1.00 29.49 C +ATOM 1433 CB LEU A 180 -6.304 -13.306 -16.460 1.00 27.08 C +ATOM 1434 CG LEU A 180 -5.711 -14.207 -15.380 1.00 25.36 C +ATOM 1435 CD1 LEU A 180 -6.841 -14.759 -14.534 1.00 29.68 C +ATOM 1436 CD2 LEU A 180 -4.903 -15.344 -15.972 1.00 25.61 C +ATOM 1437 C LEU A 180 -5.867 -12.022 -18.639 1.00 36.61 C +ATOM 1438 O LEU A 180 -5.913 -12.692 -19.694 1.00 32.04 O +ATOM 1439 N ASN A 181 -6.262 -10.741 -18.544 1.00 38.78 N +ATOM 1440 CA ASN A 181 -6.744 -9.952 -19.686 1.00 54.97 C +ATOM 1441 CB ASN A 181 -7.402 -8.636 -19.225 1.00 67.37 C +ATOM 1442 CG ASN A 181 -8.421 -8.825 -18.095 1.00 73.12 C +ATOM 1443 OD1 ASN A 181 -9.609 -9.072 -18.334 1.00 52.00 O +ATOM 1444 ND2 ASN A 181 -7.961 -8.669 -16.856 1.00 60.66 N +ATOM 1445 C ASN A 181 -5.609 -9.615 -20.685 1.00 76.54 C +ATOM 1446 O ASN A 181 -4.557 -9.068 -20.289 1.00 63.45 O +ATOM 1447 N ALA A 182 -5.846 -9.945 -21.969 1.00 63.44 N +ATOM 1448 CA ALA A 182 -4.904 -9.757 -23.085 1.00 54.25 C +ATOM 1449 CB ALA A 182 -4.912 -8.312 -23.569 1.00 52.80 C +ATOM 1450 C ALA A 182 -3.480 -10.202 -22.749 1.00 57.61 C +ATOM 1451 O ALA A 182 -3.280 -11.181 -22.028 1.00 50.41 O +TER 1452 ALA A 182 +END diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/parse_relax.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/parse_relax.sbatch new file mode 100644 index 0000000..9697e0d --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/parse_relax.sbatch @@ -0,0 +1,8 @@ +#!/bin/sh +#SBATCH --job-name=6xro_final_renum_p-relax +#SBATCH --time=00:20:00 +#SBATCH --mem 5000 +#SBATCH --partition=sbinlab + +# launching parsing script +python /relax_parse_results.py True True - /relax/input /relax/run /relax/output /ddG/input relax_scores \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/relax.xml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/relax.xml new file mode 100644 index 0000000..5adf582 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/relax.xml @@ -0,0 +1,34 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/rosetta_relax.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/rosetta_relax.sbatch new file mode 100644 index 0000000..a00d431 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/rosetta_relax.sbatch @@ -0,0 +1,9 @@ +#!/bin/sh +#SBATCH --job-name=relax_6xro_final_renum +#SBATCH --time=24:00:00 +#SBATCH --mem 5000 +#SBATCH --array=0-19 +#SBATCH --partition=sbinlab + +# launching rosetta relax +bin/rosetta_scripts. -parser:protocol /relax/input/relax.xml -parser:script_vars repeats=5 energy_func=/data/mp/f19_cart_1.5.wts energy_fawtb=0 -in:file:s /relax/input/input.pdb -mp:setup:spanfiles /relax/input/spanfiles/input_A_A.span -mp:scoring:hbond -mp:lipids:composition DLPC -mp::thickness 15 -relax:jump_move true -nstruct 1 -packing:pack_missing_sidechains 0 -out:pdb -out:file:scorefile /relax/run/relax_scores.sc -out:prefix $SLURM_ARRAY_TASK_ID- -database -ignore_unrecognized_res true -score:weights /data/mp/f19_cart_1.5.wts -fa_max_dis 9 -ex1 -ex2 -flip_HNQ -missing_density_to_jump -relax:coord_constrain_sidechains -relax:constrain_relax_to_start_coords \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/TMRs.gff3 b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/TMRs.gff3 new file mode 100644 index 0000000..d5a22b3 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/TMRs.gff3 @@ -0,0 +1,16 @@ +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/deeptmhmm_results.md b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/deeptmhmm_results.md new file mode 100644 index 0000000..a8d131c --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/deeptmhmm_results.md @@ -0,0 +1,32 @@ +## DeepTMHMM - Predictions +Predicted topologies can be downloaded in [.gff3 format](TMRs.gff3) and [.3line format](predicted_topologies.3line) +![picture](plot.png) +You can download the probabilities used to generate this plot [here](input_probs.csv) +### Predicted Topologies +``` +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII + +``` + + +``` +##gff-version 3 +# input Length: 182 +# input Number of predicted TMRs: 6 +input inside 1 5 +input TMhelix 6 24 +input outside 25 51 +input TMhelix 52 72 +input inside 73 78 +input TMhelix 79 99 +input outside 100 101 +input TMhelix 102 122 +input inside 123 132 +input TMhelix 133 155 +input outside 156 159 +input TMhelix 160 180 +input inside 181 182 + +``` diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/input_probs.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/input_probs.csv new file mode 100644 index 0000000..dcaeb2b --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/input_probs.csv @@ -0,0 +1,184 @@ +# input +#AA,Beta,Periplasm,Membrane,Inside,Outside,Signal +0 E,0.0,0.0,0.0,0.99942,0.00023,0.0 +1 R,0.0,0.0,0.00018,0.99921,0.00023,0.0 +2 A,0.0,0.0,0.01323,0.98618,0.00019,0.0 +3 G,0.0,0.0,0.10431,0.89527,2e-05,0.0 +4 P,0.0,0.0,0.47862,0.52095,0.0,0.0 +5 V,0.0,0.0,0.85568,0.14391,0.0,0.0 +6 T,0.0,0.0,0.90611,0.09348,0.0,0.0 +7 W,0.0,0.0,0.98479,0.0148,0.0,0.0 +8 V,0.0,0.0,0.99921,0.00038,0.0,0.0 +9 M,0.0,0.0,0.99955,3e-05,0.0,0.0 +10 M,0.0,0.0,0.99958,0.0,0.0,0.0 +11 I,0.0,0.0,0.99957,0.0,0.0,0.0 +12 A,0.0,0.0,0.99955,0.0,0.0,0.0 +13 C,0.0,0.0,0.99933,0.00021,0.0,0.0 +14 V,0.0,0.0,0.9995,2e-05,0.0,0.0 +15 V,0.0,0.0,0.99953,0.0,0.0,0.0 +16 V,0.0,0.0,0.99953,0.0,0.0,0.0 +17 F,0.0,0.0,0.99953,0.0,0.0,0.0 +18 I,0.0,0.0,0.99954,0.0,0.0,0.0 +19 A,0.0,0.0,0.99956,0.0,0.0,0.0 +20 M,0.0,0.0,0.99948,0.0,5e-05,0.0 +21 Q,0.0,0.0,0.99788,0.0,0.00164,0.0 +22 I,0.0,0.0,0.99017,0.0,0.00935,0.0 +23 L,0.0,0.0,0.86894,0.0,0.13061,0.0 +24 G,0.0,0.0,0.22113,0.0,0.7784,0.0 +25 D,0.0,0.0,0.00531,0.0,0.99422,0.0 +26 Q,0.0,0.0,4e-05,0.0,0.99948,0.0 +27 E,0.0,0.0,0.0,0.0,0.99954,0.0 +28 V,0.0,0.0,0.0,0.0,0.99954,0.0 +29 M,0.0,0.0,0.0,0.0,0.99957,0.0 +30 L,0.0,0.0,0.0,0.0,0.99957,0.0 +31 W,0.0,0.0,0.0,0.0,0.9996,0.0 +32 L,0.0,0.0,0.0,0.0,0.9996,0.0 +33 A,0.0,0.0,0.0,0.0,0.9996,0.0 +34 W,0.0,0.0,0.0,0.0,0.9996,0.0 +35 P,0.0,0.0,0.0,0.0,0.99963,0.0 +36 F,0.0,0.0,0.0,0.0,0.99963,0.0 +37 D,0.0,0.0,0.0,0.0,0.99966,0.0 +38 P,0.0,0.0,0.0,0.0,0.99966,0.0 +39 T,0.0,0.0,0.0,0.0,0.99969,0.0 +40 L,0.0,0.0,0.0,0.0,0.99969,0.0 +41 K,0.0,0.0,0.0,0.0,0.99969,0.0 +42 F,0.0,0.0,0.0,0.0,0.99969,0.0 +43 E,0.0,0.0,0.0,0.0,0.99969,0.0 +44 F,0.0,0.0,0.0,0.0,0.99973,0.0 +45 W,0.0,0.0,0.0,0.0,0.99976,0.0 +46 R,0.0,0.0,0.0,0.0,0.99976,0.0 +47 Y,0.0,0.0,3e-05,0.0,0.99973,0.0 +48 F,0.0,0.0,0.00047,0.0,0.99933,0.0 +49 T,0.0,0.0,0.00101,0.0,0.99878,0.0 +50 H,0.0,0.0,0.00757,0.0,0.99222,0.0 +51 A,0.0,0.0,0.82764,0.0,0.17215,0.0 +52 L,0.0,0.0,0.95624,0.0,0.04355,0.0 +53 M,0.0,0.0,0.99341,0.0,0.00638,0.0 +54 H,0.0,0.0,0.99423,0.0,0.00556,0.0 +55 F,0.0,0.0,0.99756,0.0,0.00223,0.0 +56 S,0.0,0.0,0.99919,0.0,0.00061,0.0 +57 L,0.0,0.0,0.99975,0.0,6e-05,0.0 +58 M,0.0,0.0,0.9998,0.0,1e-05,0.0 +59 H,0.0,0.0,0.99983,0.0,1e-05,0.0 +60 I,0.0,0.0,0.99982,0.0,0.0,0.0 +61 L,0.0,0.0,0.99983,0.0,0.0,0.0 +62 F,0.0,0.0,0.99984,0.0,0.0,0.0 +63 N,0.0,0.0,0.99985,0.0,0.0,0.0 +64 L,0.0,0.0,0.99985,0.0,0.0,0.0 +65 L,0.0,0.0,0.99985,0.0,0.0,0.0 +66 W,0.0,0.0,0.99985,0.0,0.0,0.0 +67 W,0.0,0.0,0.99984,0.0,0.0,0.0 +68 W,0.0,0.0,0.99986,0.0,0.0,0.0 +69 Y,0.0,0.0,0.99975,0.00012,0.0,0.0 +70 L,0.0,0.0,0.99906,0.00081,0.0,0.0 +71 G,0.0,0.0,0.96325,0.03665,0.0,0.0 +72 G,0.0,0.0,0.3354,0.66448,0.0,0.0 +73 A,0.0,0.0,0.1112,0.88869,0.0,0.0 +74 V,0.0,0.0,0.06311,0.93678,0.0,0.0 +75 E,0.0,0.0,0.00376,0.99613,0.0,0.0 +76 K,0.0,0.0,0.00011,0.99979,0.0,0.0 +77 R,0.0,0.0,0.00184,0.99805,0.0,0.0 +78 L,0.0,0.0,0.38413,0.61574,0.0,0.0 +79 G,0.0,0.0,0.47768,0.52219,0.0,0.0 +80 S,0.0,0.0,0.85069,0.14919,0.0,0.0 +81 G,0.0,0.0,0.965,0.03489,0.0,0.0 +82 K,0.0,0.0,0.98313,0.01673,0.0,0.0 +83 L,0.0,0.0,0.9996,0.00027,0.0,0.0 +84 I,0.0,0.0,0.99987,0.0,0.0,0.0 +85 V,0.0,0.0,0.99988,0.0,0.0,0.0 +86 I,0.0,0.0,0.99988,0.0,0.0,0.0 +87 T,0.0,0.0,0.99989,0.0,0.0,0.0 +88 L,0.0,0.0,0.99988,0.0,0.0,0.0 +89 I,0.0,0.0,0.9999,0.0,0.0,0.0 +90 S,0.0,0.0,0.9999,0.0,0.0,0.0 +91 A,0.0,0.0,0.9999,0.0,0.0,0.0 +92 L,0.0,0.0,0.9999,0.0,0.0,0.0 +93 L,0.0,0.0,0.99989,0.0,1e-05,0.0 +94 S,0.0,0.0,0.99981,0.0,9e-05,0.0 +95 G,0.0,0.0,0.9998,0.0,9e-05,0.0 +96 Y,0.0,0.0,0.99941,0.0,0.00048,0.0 +97 V,0.0,0.0,0.99939,0.0,0.00051,0.0 +98 Q,0.0,0.0,0.93936,0.0,0.06053,0.0 +99 Q,0.0,0.0,0.24375,0.0,0.75613,0.0 +100 K,0.0,0.0,0.03911,0.0,0.96078,0.0 +101 F,0.0,0.0,0.98924,0.0,0.01066,0.0 +102 S,0.0,0.0,0.99245,0.0,0.00745,0.0 +103 G,0.0,0.0,0.99699,0.0,0.00291,0.0 +104 P,0.0,0.0,0.99648,0.0,0.00342,0.0 +105 W,0.0,0.0,0.99983,0.0,7e-05,0.0 +106 F,0.0,0.0,0.99986,0.0,1e-05,0.0 +107 G,0.0,0.0,0.99925,0.0,0.00065,0.0 +108 G,0.0,0.0,0.9998,0.0,8e-05,0.0 +109 L,0.0,0.0,0.9999,0.0,1e-05,0.0 +110 S,0.0,0.0,0.99953,1e-05,0.00035,0.0 +111 G,0.0,0.0,0.99985,2e-05,2e-05,0.0 +112 V,0.0,0.0,0.99989,0.0,0.0,0.0 +113 V,0.0,0.0,0.99988,0.0,0.0,0.0 +114 Y,0.0,0.0,0.99988,0.0,0.0,0.0 +115 A,0.0,0.0,0.99988,0.0,0.0,0.0 +116 L,0.0,0.0,0.99987,0.0,0.0,0.0 +117 M,0.0,0.0,0.99987,1e-05,0.0,0.0 +118 G,0.0,0.0,0.99981,7e-05,0.0,0.0 +119 Y,0.0,0.0,0.99732,0.00256,0.0,0.0 +120 V,0.0,0.0,0.99158,0.0083,0.0,0.0 +121 W,0.0,0.0,0.93268,0.0672,0.0,0.0 +122 L,0.0,0.0,0.15644,0.84342,3e-05,0.0 +123 R,0.0,0.0,0.00317,0.99665,4e-05,0.0 +124 G,0.0,0.0,0.00106,0.99878,4e-05,0.0 +125 E,0.0,0.0,1e-05,0.99982,4e-05,0.0 +126 R,0.0,0.0,0.0,0.99982,4e-05,0.0 +127 D,0.0,0.0,0.0,0.99982,4e-05,0.0 +128 P,0.0,0.0,0.0,0.99982,4e-05,0.0 +129 Q,0.0,0.0,6e-05,0.99976,4e-05,0.0 +130 S,0.0,0.0,0.00693,0.99288,4e-05,0.0 +131 G,0.0,0.0,0.05276,0.94707,4e-05,0.0 +132 I,0.0,0.0,0.8213,0.17857,1e-05,0.0 +133 Y,0.0,0.0,0.9559,0.04397,0.0,0.0 +134 L,0.0,0.0,0.9974,0.00247,0.0,0.0 +135 Q,0.0,0.0,0.99838,0.0015,0.0,0.0 +136 R,0.0,0.0,0.9993,0.00058,0.0,0.0 +137 G,0.0,0.0,0.99986,1e-05,0.0,0.0 +138 L,0.0,0.0,0.99986,0.0,0.0,0.0 +139 I,0.0,0.0,0.99987,0.0,0.0,0.0 +140 I,0.0,0.0,0.99988,0.0,0.0,0.0 +141 F,0.0,0.0,0.99987,0.0,0.0,0.0 +142 A,0.0,0.0,0.99988,0.0,0.0,0.0 +143 L,0.0,0.0,0.99989,0.0,0.0,0.0 +144 I,0.0,0.0,0.99986,0.0,0.0,0.0 +145 W,0.0,0.0,0.9999,0.0,0.0,0.0 +146 I,0.0,0.0,0.9999,0.0,0.0,0.0 +147 V,0.0,0.0,0.9999,0.0,0.0,0.0 +148 A,0.0,0.0,0.99993,0.0,0.0,0.0 +149 G,0.0,0.0,0.99993,0.0,0.0,0.0 +150 W,0.0,0.0,0.99993,0.0,0.0,0.0 +151 F,0.0,0.0,0.99995,0.0,0.0,0.0 +152 D,0.0,0.0,0.99972,0.0,0.00024,0.0 +153 L,0.0,0.0,0.99628,0.0,0.00365,0.0 +154 F,0.0,0.0,0.94253,0.0,0.05742,0.0 +155 G,0.0,0.0,0.03863,4e-05,0.96128,0.0 +156 M,0.0,0.0,0.008,4e-05,0.99192,0.0 +157 S,0.0,0.0,0.00504,4e-05,0.99486,0.0 +158 M,0.0,0.0,0.11294,4e-05,0.88695,0.0 +159 A,0.0,0.0,0.87755,0.0,0.12238,0.0 +160 N,0.0,0.0,0.96141,0.0,0.03852,0.0 +161 G,0.0,0.0,0.99314,0.0,0.00677,0.0 +162 A,0.0,0.0,0.99957,0.0,0.00033,0.0 +163 H,0.0,0.0,0.9999,0.0,1e-05,0.0 +164 I,0.0,0.0,0.99991,0.0,0.0,0.0 +165 A,0.0,0.0,0.99989,0.0,0.0,0.0 +166 G,0.0,0.0,0.99989,0.0,0.0,0.0 +167 L,0.0,0.0,0.9999,0.0,0.0,0.0 +168 A,0.0,0.0,0.99989,0.0,0.0,0.0 +169 V,0.0,0.0,0.99987,4e-05,0.0,0.0 +170 G,0.0,0.0,0.9997,0.0002,0.0,0.0 +171 L,0.0,0.0,0.99991,0.0,0.0,0.0 +172 A,0.0,0.0,0.99991,0.0,0.0,0.0 +173 M,0.0,0.0,0.99992,0.0,0.0,0.0 +174 A,0.0,0.0,0.99992,0.0,0.0,0.0 +175 F,0.0,0.0,0.99984,9e-05,0.0,0.0 +176 V,0.0,0.0,0.99651,0.00345,0.0,0.0 +177 D,0.0,0.0,0.82865,0.1713,0.0,0.0 +178 S,0.0,0.0,0.68727,0.31267,0.0,0.0 +179 L,0.0,0.0,0.48774,0.5122,1e-05,0.0 +180 N,0.0,0.0,0.17987,0.82007,4e-05,0.0 +181 A,0.0,0.0,0.0,0.99973,0.00028,0.0 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/predicted_topologies.3line b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/predicted_topologies.3line new file mode 100644 index 0000000..98389e8 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/predicted_topologies.3line @@ -0,0 +1,3 @@ +>input | TM +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA +IIIIIMMMMMMMMMMMMMMMMMMMOOOOOOOOOOOOOOOOOOOOOOOOOOOMMMMMMMMMMMMMMMMMMMMMIIIIIIMMMMMMMMMMMMMMMMMMMMMOOMMMMMMMMMMMMMMMMMMMMMIIIIIIIIIIMMMMMMMMMMMMMMMMMMMMMMMOOOOMMMMMMMMMMMMMMMMMMMMMII diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/query.fasta b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/query.fasta new file mode 100644 index 0000000..07711f2 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/A/query.fasta @@ -0,0 +1,2 @@ +> input +ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A.span new file mode 100644 index 0000000..e93c5af --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A.span @@ -0,0 +1,10 @@ +manual-generated spanfile from DeepTMHMM +6 182 +antiparallel +n2c + 6 24 + 52 72 + 79 99 + 102 122 + 133 155 + 160 180 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch index be6b4e3..2a2270f 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py homodimer-1afo_renum_uniquechain A VQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKKVQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKK /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True XXXtagvXXX /prepare/cleaning True 1 \ No newline at end of file +python3 /parser_ddg_v2.py homodimer-1afo_renum_uniquechain A VQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKKVQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKK /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/rosetta_ddg.sbatch index 9fe65b3..dc00890 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/rosetta_ddg.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/rosetta_ddg.sbatch @@ -11,4 +11,8 @@ INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) echo $INDEX # launching rosetta -bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID \ No newline at end of file +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/spanfiles/input_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/spanfiles/input_A.span index ab6653d..79e5de3 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/spanfiles/input_A.span +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/spanfiles/input_A.span @@ -2,5 +2,5 @@ Rosetta-generated spanfile from SpanningTopology object 2 80 antiparallel n2c - 12 33 + 12 32 52 73 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/input_A.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/input_A.pdb index d1803c3..55a924d 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/input_A.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/input_A.pdb @@ -1,1323 +1,1323 @@ -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 18.74 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 18.11 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 17.30 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 17.26 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 18.42 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 18.58 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 18.59 C -ATOM 8 H1 VAL A 1 1.515 -20.822 8.553 1.00 18.63 H -ATOM 9 H2 VAL A 1 1.445 -20.096 7.018 1.00 19.07 H -ATOM 10 H3 VAL A 1 2.948 -20.460 7.716 1.00 19.08 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 18.15 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 18.56 H -ATOM 13 HG11 VAL A 1 -0.277 -19.650 9.164 1.00 18.56 H -ATOM 14 HG12 VAL A 1 -1.337 -18.334 8.655 1.00 18.83 H -ATOM 15 HG13 VAL A 1 -0.699 -19.465 7.461 1.00 18.58 H -ATOM 16 HG21 VAL A 1 1.546 -16.272 9.094 1.00 18.63 H -ATOM 17 HG22 VAL A 1 -0.159 -16.144 8.663 1.00 18.86 H -ATOM 18 HG23 VAL A 1 0.327 -17.098 10.064 1.00 18.54 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 16.78 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 16.11 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 15.69 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 15.68 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 16.10 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 15.49 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 15.09 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 15.39 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 14.56 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 16.93 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 16.10 H -ATOM 30 HB2 GLN A 2 4.114 -21.223 11.959 1.00 16.14 H -ATOM 31 HB3 GLN A 2 5.395 -20.012 11.957 1.00 16.63 H -ATOM 32 HG2 GLN A 2 5.100 -21.388 14.113 1.00 15.60 H -ATOM 33 HG3 GLN A 2 5.195 -19.638 14.295 1.00 15.40 H -ATOM 34 HE21 GLN A 2 3.509 -18.689 15.456 1.00 14.40 H -ATOM 35 HE22 GLN A 2 2.009 -19.422 15.761 1.00 14.42 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 15.49 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 15.26 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 14.77 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 14.94 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 15.58 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 15.97 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 16.71 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 16.05 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 15.59 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 15.38 H -ATOM 46 HB2 LEU A 3 2.349 -15.694 13.547 1.00 15.74 H -ATOM 47 HB3 LEU A 3 3.613 -14.867 14.459 1.00 15.55 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 15.84 H -ATOM 49 HD11 LEU A 3 0.848 -14.524 12.192 1.00 16.93 H -ATOM 50 HD12 LEU A 3 1.179 -12.895 11.603 1.00 16.80 H -ATOM 51 HD13 LEU A 3 2.141 -14.256 11.023 1.00 17.03 H -ATOM 52 HD21 LEU A 3 2.535 -12.966 15.061 1.00 16.08 H -ATOM 53 HD22 LEU A 3 1.695 -11.912 13.925 1.00 15.96 H -ATOM 54 HD23 LEU A 3 0.975 -13.452 14.397 1.00 16.30 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 14.32 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 14.03 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 13.34 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 13.29 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 14.31 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 14.30 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 14.29 H -ATOM 62 HB1 ALA A 4 7.976 -14.199 12.734 1.00 14.32 H -ATOM 63 HB2 ALA A 4 8.967 -13.600 14.063 1.00 14.34 H -ATOM 64 HB3 ALA A 4 9.018 -15.307 13.625 1.00 14.64 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 12.98 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 12.48 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 11.62 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 11.76 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 12.81 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 13.36 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 13.57 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 13.93 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 14.23 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 14.47 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 13.15 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 12.71 H -ATOM 77 HB2 HIS A 5 5.398 -10.987 16.023 1.00 13.05 H -ATOM 78 HB3 HIS A 5 5.620 -10.307 17.636 1.00 12.61 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 13.40 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 14.07 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 14.63 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 10.90 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 10.21 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 9.43 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 9.32 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 10.37 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 10.53 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 10.58 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 10.88 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 10.97 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 11.15 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 10.94 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 10.38 H -ATOM 94 HB2 HIS A 6 4.112 -14.086 20.125 1.00 10.69 H -ATOM 95 HB3 HIS A 6 3.498 -13.599 21.705 1.00 10.30 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 10.50 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 11.09 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 11.25 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 9.11 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 8.55 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 7.46 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 7.39 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 8.98 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 9.76 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 10.29 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 10.19 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 11.19 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 11.10 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 11.57 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 9.39 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 8.86 H -ATOM 112 HB2 PHE A 7 6.719 -11.356 23.478 1.00 9.18 H -ATOM 113 HB3 PHE A 7 6.504 -10.028 24.620 1.00 8.77 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 10.16 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 9.98 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 11.72 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 11.57 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 12.35 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 6.86 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 6.01 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 5.07 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 5.28 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 6.54 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 7.08 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 7.15 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 6.02 H -ATOM 127 HB2 SER A 8 5.982 -5.131 23.882 1.00 6.79 H -ATOM 128 HB3 SER A 8 6.431 -6.722 24.489 1.00 6.61 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 7.42 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 4.41 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 3.84 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 2.84 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 3.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 4.55 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 5.41 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 6.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 6.49 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 6.28 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 4.61 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 4.12 H -ATOM 141 HB2 GLU A 9 2.341 -2.961 21.018 1.00 4.86 H -ATOM 142 HB3 GLU A 9 1.671 -3.768 19.600 1.00 4.60 H -ATOM 143 HG2 GLU A 9 1.236 -5.716 21.372 1.00 5.70 H -ATOM 144 HG3 GLU A 9 1.243 -4.358 22.497 1.00 5.72 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 2.18 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 1.51 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 1.23 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 1.13 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 1.87 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 2.49 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 2.65 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 1.77 H -ATOM 153 HB2 PRO A 10 6.953 -4.952 16.355 1.00 2.10 H -ATOM 154 HB3 PRO A 10 8.045 -5.214 17.721 1.00 2.10 H -ATOM 155 HG2 PRO A 10 5.833 -6.875 16.885 1.00 3.08 H -ATOM 156 HG3 PRO A 10 6.947 -7.145 18.231 1.00 2.65 H -ATOM 157 HD2 PRO A 10 4.185 -6.357 18.373 1.00 3.25 H -ATOM 158 HD3 PRO A 10 5.319 -6.583 19.720 1.00 2.87 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 1.29 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 1.13 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 1.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.97 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 1.32 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 1.94 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 2.47 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 2.89 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 3.01 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 1.55 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 1.09 H -ATOM 170 HB2 GLU A 11 6.853 0.714 17.318 1.00 1.69 H -ATOM 171 HB3 GLU A 11 5.609 1.467 16.319 1.00 1.69 H -ATOM 172 HG2 GLU A 11 4.765 2.151 18.324 1.00 2.39 H -ATOM 173 HG3 GLU A 11 4.094 0.521 18.377 1.00 2.45 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 0.99 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 0.91 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 0.80 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 0.74 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 1.03 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 1.05 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 1.28 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 1.48 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 1.08 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 0.89 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 1.22 H -ATOM 185 HG12 ILE A 12 10.822 -2.356 12.586 1.00 1.37 H -ATOM 186 HG13 ILE A 12 9.246 -2.212 11.808 1.00 1.18 H -ATOM 187 HG21 ILE A 12 8.799 -3.329 15.413 1.00 1.67 H -ATOM 188 HG22 ILE A 12 9.003 -3.984 13.789 1.00 1.67 H -ATOM 189 HG23 ILE A 12 10.412 -3.455 14.709 1.00 1.72 H -ATOM 190 HD11 ILE A 12 9.686 0.312 12.896 1.00 1.86 H -ATOM 191 HD12 ILE A 12 11.267 -0.160 12.271 1.00 2.05 H -ATOM 192 HD13 ILE A 12 9.868 -0.129 11.198 1.00 1.87 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 0.81 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 0.76 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 0.68 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 0.62 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 0.86 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 1.35 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 1.19 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 0.89 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 0.74 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 1.13 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 1.84 H -ATOM 204 HG21 THR A 13 7.912 -5.721 14.906 1.00 1.65 H -ATOM 205 HG22 THR A 13 7.125 -7.157 15.562 1.00 1.61 H -ATOM 206 HG23 THR A 13 7.690 -7.146 13.891 1.00 1.72 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 0.72 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 0.69 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 0.58 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 0.50 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 0.82 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 0.88 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 0.87 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 1.02 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 0.80 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 0.67 H -ATOM 217 HB2 LEU A 14 2.089 -3.078 14.913 1.00 1.22 H -ATOM 218 HB3 LEU A 14 2.151 -1.562 14.014 1.00 0.83 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 1.30 H -ATOM 220 HD11 LEU A 14 0.237 -1.411 15.384 1.00 1.27 H -ATOM 221 HD12 LEU A 14 -0.667 -0.852 13.975 1.00 1.28 H -ATOM 222 HD13 LEU A 14 -1.284 -2.190 14.946 1.00 1.34 H -ATOM 223 HD21 LEU A 14 0.664 -1.509 11.922 1.00 1.44 H -ATOM 224 HD22 LEU A 14 0.400 -3.222 11.594 1.00 1.64 H -ATOM 225 HD23 LEU A 14 -0.954 -2.195 12.067 1.00 1.43 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 0.62 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 0.57 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 0.45 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 0.38 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 0.69 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 0.91 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 0.76 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 1.10 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 0.71 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 0.58 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 0.63 H -ATOM 237 HG12 ILE A 15 3.818 2.192 11.913 1.00 0.92 H -ATOM 238 HG13 ILE A 15 4.088 0.846 13.021 1.00 0.98 H -ATOM 239 HG21 ILE A 15 4.408 1.911 9.510 1.00 1.24 H -ATOM 240 HG22 ILE A 15 5.973 2.324 10.211 1.00 1.27 H -ATOM 241 HG23 ILE A 15 5.828 0.933 9.136 1.00 1.35 H -ATOM 242 HD11 ILE A 15 6.365 2.600 12.102 1.00 1.66 H -ATOM 243 HD12 ILE A 15 5.370 3.040 13.490 1.00 1.56 H -ATOM 244 HD13 ILE A 15 6.296 1.540 13.509 1.00 1.37 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 0.44 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 0.36 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 0.28 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 0.25 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 0.39 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 1.21 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 1.18 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 1.58 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 0.50 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 0.38 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 0.83 H -ATOM 256 HG12 ILE A 16 8.516 -2.734 8.425 1.00 1.92 H -ATOM 257 HG13 ILE A 16 7.901 -2.381 10.039 1.00 1.86 H -ATOM 258 HG21 ILE A 16 6.422 -4.757 7.065 1.00 1.76 H -ATOM 259 HG22 ILE A 16 8.112 -4.844 7.561 1.00 1.82 H -ATOM 260 HG23 ILE A 16 6.926 -5.934 8.278 1.00 1.61 H -ATOM 261 HD11 ILE A 16 9.211 -5.008 9.297 1.00 2.05 H -ATOM 262 HD12 ILE A 16 10.086 -3.653 10.011 1.00 2.07 H -ATOM 263 HD13 ILE A 16 8.792 -4.441 10.913 1.00 2.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 0.31 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 0.32 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 0.30 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 0.30 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 0.41 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 0.80 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 1.52 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 1.66 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 1.97 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 2.09 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 1.95 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 0.36 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 0.32 H -ATOM 277 HB2 PHE A 17 1.924 -4.887 10.445 1.00 0.65 H -ATOM 278 HB3 PHE A 17 0.791 -5.706 9.371 1.00 0.64 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 2.18 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 2.34 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 2.73 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 2.89 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 2.41 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 0.31 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 0.32 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 0.26 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 0.26 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 0.34 H -ATOM 289 HA2 GLY A 18 -0.474 -2.475 7.247 1.00 0.36 H -ATOM 290 HA3 GLY A 18 0.438 -1.089 7.852 1.00 0.35 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 0.23 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 0.22 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 0.21 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 0.22 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 0.24 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 0.28 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 0.28 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 0.24 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 0.24 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 0.25 H -ATOM 301 HG11 VAL A 19 4.415 -1.047 2.547 1.00 1.07 H -ATOM 302 HG12 VAL A 19 5.461 0.194 3.239 1.00 1.05 H -ATOM 303 HG13 VAL A 19 5.986 -1.490 3.217 1.00 1.05 H -ATOM 304 HG21 VAL A 19 3.803 0.365 6.153 1.00 1.03 H -ATOM 305 HG22 VAL A 19 5.539 0.058 6.204 1.00 1.10 H -ATOM 306 HG23 VAL A 19 4.857 1.053 4.918 1.00 1.03 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 0.22 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 0.25 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 0.27 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 0.28 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 0.29 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 0.36 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 1.07 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 1.70 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 0.22 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 0.26 H -ATOM 317 HB2 MET A 20 2.699 -6.028 5.370 1.00 0.33 H -ATOM 318 HB3 MET A 20 2.828 -7.082 3.961 1.00 0.34 H -ATOM 319 HG2 MET A 20 5.189 -5.878 3.715 1.00 0.70 H -ATOM 320 HG3 MET A 20 4.982 -5.632 5.449 1.00 0.72 H -ATOM 321 HE1 MET A 20 6.970 -6.893 3.720 1.00 2.15 H -ATOM 322 HE2 MET A 20 7.575 -7.912 5.023 1.00 2.21 H -ATOM 323 HE3 MET A 20 7.014 -8.650 3.525 1.00 2.23 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 0.28 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 0.32 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 0.30 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 0.30 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 0.37 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 0.29 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 0.34 H -ATOM 331 HB1 ALA A 21 -1.239 -4.012 5.520 1.00 1.10 H -ATOM 332 HB2 ALA A 21 -2.636 -3.839 4.453 1.00 1.10 H -ATOM 333 HB3 ALA A 21 -2.282 -5.395 5.202 1.00 1.06 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 0.28 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 0.27 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 0.23 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 0.23 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 0.28 H -ATOM 339 HA2 GLY A 22 -2.114 -1.684 1.151 1.00 0.30 H -ATOM 340 HA3 GLY A 22 -0.545 -0.911 1.393 1.00 0.28 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 0.21 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 0.19 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 0.20 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 0.19 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 0.22 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 0.28 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 0.27 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 0.21 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 0.19 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 0.26 H -ATOM 351 HG11 VAL A 23 2.853 -4.691 -2.941 1.00 1.04 H -ATOM 352 HG12 VAL A 23 4.186 -5.263 -1.938 1.00 1.03 H -ATOM 353 HG13 VAL A 23 2.639 -6.110 -1.917 1.00 1.04 H -ATOM 354 HG21 VAL A 23 3.137 -2.160 -0.938 1.00 1.09 H -ATOM 355 HG22 VAL A 23 3.944 -3.044 0.357 1.00 1.03 H -ATOM 356 HG23 VAL A 23 4.479 -3.241 -1.311 1.00 1.03 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 0.23 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 0.27 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 0.27 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 0.28 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 0.33 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 0.67 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 0.75 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 1.20 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 0.25 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 0.28 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 0.41 H -ATOM 368 HG12 ILE A 24 0.622 -7.270 1.018 1.00 1.29 H -ATOM 369 HG13 ILE A 24 -0.359 -8.393 1.961 1.00 1.22 H -ATOM 370 HG21 ILE A 24 -2.186 -8.949 -1.123 1.00 1.13 H -ATOM 371 HG22 ILE A 24 -2.016 -9.569 0.518 1.00 1.25 H -ATOM 372 HG23 ILE A 24 -3.316 -8.443 0.133 1.00 1.43 H -ATOM 373 HD11 ILE A 24 0.259 -9.084 -0.886 1.00 1.91 H -ATOM 374 HD12 ILE A 24 1.524 -9.294 0.324 1.00 1.60 H -ATOM 375 HD13 ILE A 24 -0.008 -10.152 0.492 1.00 1.67 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 0.29 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 0.33 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 0.30 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 0.33 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 0.30 H -ATOM 381 HA2 GLY A 25 -4.875 -5.493 -1.780 1.00 0.38 H -ATOM 382 HA3 GLY A 25 -4.454 -3.864 -1.246 1.00 0.37 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 0.25 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 0.25 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 0.26 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 0.32 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 0.24 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 0.34 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 0.31 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 0.24 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 0.31 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 0.22 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 0.40 H -ATOM 394 HG21 THR A 26 -1.096 -2.740 -6.946 1.00 1.10 H -ATOM 395 HG22 THR A 26 -1.145 -1.045 -6.461 1.00 0.98 H -ATOM 396 HG23 THR A 26 0.365 -1.948 -6.355 1.00 1.03 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 0.24 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 0.33 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 0.39 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 0.47 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 0.37 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 0.39 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 0.47 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 0.49 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 0.22 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 0.38 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 0.37 H -ATOM 408 HG12 ILE A 27 1.339 -6.927 -5.942 1.00 0.46 H -ATOM 409 HG13 ILE A 27 0.881 -6.243 -4.383 1.00 0.38 H -ATOM 410 HG21 ILE A 27 -0.940 -8.941 -6.843 1.00 1.04 H -ATOM 411 HG22 ILE A 27 0.575 -9.321 -6.021 1.00 1.19 H -ATOM 412 HG23 ILE A 27 -0.964 -9.778 -5.290 1.00 1.15 H -ATOM 413 HD11 ILE A 27 1.140 -8.798 -3.625 1.00 1.14 H -ATOM 414 HD12 ILE A 27 2.251 -8.821 -4.994 1.00 1.07 H -ATOM 415 HD13 ILE A 27 2.516 -7.696 -3.661 1.00 1.21 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 0.39 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 0.49 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 0.53 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 0.62 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 0.53 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 0.59 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 0.68 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 0.65 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 0.34 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 0.55 H -ATOM 426 HB2 LEU A 28 -5.894 -8.926 -3.958 1.00 0.60 H -ATOM 427 HB3 LEU A 28 -5.177 -7.372 -3.555 1.00 0.54 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 0.61 H -ATOM 429 HD11 LEU A 28 -7.500 -8.412 -6.265 1.00 1.18 H -ATOM 430 HD12 LEU A 28 -8.217 -9.045 -4.783 1.00 1.37 H -ATOM 431 HD13 LEU A 28 -8.919 -7.630 -5.568 1.00 1.06 H -ATOM 432 HD21 LEU A 28 -7.123 -7.383 -2.373 1.00 1.31 H -ATOM 433 HD22 LEU A 28 -7.850 -5.908 -3.009 1.00 1.06 H -ATOM 434 HD23 LEU A 28 -8.716 -7.440 -3.126 1.00 1.25 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 0.49 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 0.57 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 0.60 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 0.71 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 0.56 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 1.24 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 1.76 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 1.92 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 0.44 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 0.65 H -ATOM 445 HB2 LEU A 29 -6.215 -3.323 -6.439 1.00 0.97 H -ATOM 446 HB3 LEU A 29 -4.897 -3.312 -7.612 1.00 0.94 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 1.94 H -ATOM 448 HD11 LEU A 29 -8.540 -3.723 -7.684 1.00 2.23 H -ATOM 449 HD12 LEU A 29 -8.337 -2.085 -7.062 1.00 2.17 H -ATOM 450 HD13 LEU A 29 -8.885 -2.338 -8.720 1.00 2.19 H -ATOM 451 HD21 LEU A 29 -5.702 -1.076 -7.551 1.00 2.33 H -ATOM 452 HD22 LEU A 29 -5.634 -1.142 -9.312 1.00 2.54 H -ATOM 453 HD23 LEU A 29 -7.102 -0.590 -8.507 1.00 2.27 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 0.55 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 0.65 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 0.75 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 0.87 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 0.63 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 0.58 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 0.75 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 0.66 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 0.47 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 0.70 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 0.62 H -ATOM 465 HG12 ILE A 30 -1.532 -3.865 -10.561 1.00 0.65 H -ATOM 466 HG13 ILE A 30 -2.187 -4.150 -8.948 1.00 0.53 H -ATOM 467 HG21 ILE A 30 -1.985 -6.973 -12.031 1.00 1.21 H -ATOM 468 HG22 ILE A 30 -1.135 -5.428 -12.049 1.00 1.08 H -ATOM 469 HG23 ILE A 30 -0.418 -6.820 -11.236 1.00 1.31 H -ATOM 470 HD11 ILE A 30 0.153 -5.717 -9.113 1.00 0.98 H -ATOM 471 HD12 ILE A 30 0.572 -4.152 -9.807 1.00 1.16 H -ATOM 472 HD13 ILE A 30 -0.077 -4.245 -8.170 1.00 1.31 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 0.73 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 0.87 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 0.94 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 1.07 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 0.86 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 1.29 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 0.65 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 0.95 H -ATOM 481 HB2 SER A 31 -5.370 -10.056 -8.498 1.00 1.00 H -ATOM 482 HB3 SER A 31 -5.009 -11.426 -9.544 1.00 1.28 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 1.40 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 0.89 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 1.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 1.05 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 1.18 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 0.96 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 1.27 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 1.62 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 2.13 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 1.95 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 2.53 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 2.15 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 2.64 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 0.80 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 1.09 H -ATOM 498 HB2 TYR A 32 -8.430 -7.136 -9.298 1.00 0.96 H -ATOM 499 HB3 TYR A 32 -9.525 -6.790 -10.637 1.00 1.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 2.19 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 2.77 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 2.53 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 3.38 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 2.82 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 0.97 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 1.05 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 1.16 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 1.29 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 0.88 H -ATOM 510 HA2 GLY A 33 -8.117 -5.739 -14.121 1.00 1.11 H -ATOM 511 HA3 GLY A 33 -6.458 -5.315 -13.695 1.00 0.99 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 1.14 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 1.29 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 1.41 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 1.55 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 1.28 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 1.74 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 1.77 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 2.19 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 1.05 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 1.35 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 1.42 H -ATOM 523 HG12 ILE A 34 -1.999 -10.456 -15.325 1.00 2.09 H -ATOM 524 HG13 ILE A 34 -3.181 -10.328 -16.627 1.00 2.18 H -ATOM 525 HG21 ILE A 34 -5.179 -10.909 -13.539 1.00 2.04 H -ATOM 526 HG22 ILE A 34 -4.623 -11.650 -15.037 1.00 2.31 H -ATOM 527 HG23 ILE A 34 -3.521 -11.490 -13.669 1.00 2.25 H -ATOM 528 HD11 ILE A 34 -2.685 -7.706 -15.563 1.00 2.56 H -ATOM 529 HD12 ILE A 34 -1.143 -8.469 -15.951 1.00 2.60 H -ATOM 530 HD13 ILE A 34 -2.383 -8.305 -17.194 1.00 2.54 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 1.37 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 1.51 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 1.58 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 1.73 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 1.46 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 1.73 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 2.03 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 2.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 2.45 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 2.76 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 3.14 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 1.27 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 1.61 H -ATOM 544 HB2 ARG A 35 -9.198 -10.745 -13.492 1.00 1.77 H -ATOM 545 HB3 ARG A 35 -9.683 -12.271 -14.231 1.00 1.58 H -ATOM 546 HG2 ARG A 35 -7.086 -12.805 -13.528 1.00 2.15 H -ATOM 547 HG3 ARG A 35 -7.595 -11.740 -12.217 1.00 2.19 H -ATOM 548 HD2 ARG A 35 -9.040 -14.248 -13.124 1.00 2.45 H -ATOM 549 HD3 ARG A 35 -8.082 -14.083 -11.654 1.00 2.48 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 2.02 H -ATOM 551 HH11 ARG A 35 -9.859 -14.556 -9.703 1.00 2.90 H -ATOM 552 HH12 ARG A 35 -11.448 -15.205 -9.938 1.00 3.21 H -ATOM 553 HH21 ARG A 35 -12.104 -13.285 -12.750 1.00 3.41 H -ATOM 554 HH22 ARG A 35 -12.718 -14.485 -11.664 1.00 3.66 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 1.50 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 1.59 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 1.69 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 1.84 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 1.50 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 1.77 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 2.23 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 2.70 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 3.07 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 3.56 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 3.58 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 1.38 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 1.68 H -ATOM 568 HB2 ARG A 36 -10.779 -7.278 -15.456 1.00 1.51 H -ATOM 569 HB3 ARG A 36 -9.608 -6.688 -16.636 1.00 1.60 H -ATOM 570 HG2 ARG A 36 -12.155 -7.451 -17.863 1.00 2.13 H -ATOM 571 HG3 ARG A 36 -12.332 -6.162 -16.671 1.00 1.96 H -ATOM 572 HD2 ARG A 36 -10.210 -6.099 -18.826 1.00 2.56 H -ATOM 573 HD3 ARG A 36 -11.815 -5.407 -19.056 1.00 2.57 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 3.18 H -ATOM 575 HH11 ARG A 36 -13.078 -4.084 -17.544 1.00 3.68 H -ATOM 576 HH12 ARG A 36 -13.145 -3.509 -15.912 1.00 4.16 H -ATOM 577 HH21 ARG A 36 -9.726 -3.783 -15.397 1.00 3.74 H -ATOM 578 HH22 ARG A 36 -11.245 -3.340 -14.696 1.00 4.16 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 1.64 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 1.75 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 1.91 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 2.05 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 1.69 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 2.11 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 2.66 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 2.38 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 1.52 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 1.80 H -ATOM 589 HB2 LEU A 37 -5.966 -7.837 -18.456 1.00 1.91 H -ATOM 590 HB3 LEU A 37 -5.533 -8.744 -19.906 1.00 1.94 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 2.63 H -ATOM 592 HD11 LEU A 37 -4.064 -6.727 -19.047 1.00 2.82 H -ATOM 593 HD12 LEU A 37 -3.993 -5.574 -20.379 1.00 3.15 H -ATOM 594 HD13 LEU A 37 -4.941 -5.201 -18.939 1.00 3.10 H -ATOM 595 HD21 LEU A 37 -5.208 -7.960 -21.816 1.00 2.77 H -ATOM 596 HD22 LEU A 37 -6.460 -6.812 -22.291 1.00 2.87 H -ATOM 597 HD23 LEU A 37 -4.798 -6.264 -22.075 1.00 2.45 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 1.90 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 2.06 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 2.14 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 2.20 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 2.05 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 1.98 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 2.03 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 2.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 1.79 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 2.15 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 2.14 H -ATOM 609 HG12 ILE A 38 -6.130 -12.131 -17.575 1.00 2.00 H -ATOM 610 HG13 ILE A 38 -7.854 -12.431 -17.787 1.00 2.02 H -ATOM 611 HG21 ILE A 38 -5.064 -12.654 -20.840 1.00 2.39 H -ATOM 612 HG22 ILE A 38 -4.829 -11.923 -19.253 1.00 2.15 H -ATOM 613 HG23 ILE A 38 -4.576 -13.653 -19.472 1.00 2.23 H -ATOM 614 HD11 ILE A 38 -6.918 -14.975 -17.874 1.00 2.36 H -ATOM 615 HD12 ILE A 38 -5.726 -14.244 -16.797 1.00 2.19 H -ATOM 616 HD13 ILE A 38 -7.440 -14.188 -16.384 1.00 2.20 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 2.35 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 2.45 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 2.85 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 3.21 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 2.30 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 2.60 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 2.94 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 3.56 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 3.91 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 2.55 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 2.58 H -ATOM 628 HB2 LYS A 39 -10.925 -12.317 -18.174 1.00 2.10 H -ATOM 629 HB3 LYS A 39 -12.241 -12.564 -19.322 1.00 2.50 H -ATOM 630 HG2 LYS A 39 -13.333 -13.280 -17.434 1.00 2.77 H -ATOM 631 HG3 LYS A 39 -12.536 -14.799 -17.847 1.00 3.02 H -ATOM 632 HD2 LYS A 39 -10.655 -13.253 -16.383 1.00 3.26 H -ATOM 633 HD3 LYS A 39 -12.182 -13.178 -15.502 1.00 3.12 H -ATOM 634 HE2 LYS A 39 -11.451 -15.848 -16.555 1.00 3.96 H -ATOM 635 HE3 LYS A 39 -10.421 -15.233 -15.264 1.00 3.92 H -ATOM 636 HZ1 LYS A 39 -12.927 -14.629 -14.421 1.00 4.13 H -ATOM 637 HZ2 LYS A 39 -13.138 -16.142 -15.155 1.00 4.14 H -ATOM 638 HZ3 LYS A 39 -12.006 -15.958 -13.903 1.00 4.20 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 3.09 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 3.63 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 4.10 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 4.56 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 3.99 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 4.58 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 5.25 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 6.09 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 6.53 N -ATOM 648 OXT LYS A 40 -11.590 -16.543 -22.385 1.00 4.44 O -ATOM 649 H LYS A 40 -13.071 -14.674 -20.158 1.00 3.09 H -ATOM 650 HA LYS A 40 -14.161 -14.866 -22.232 1.00 3.93 H -ATOM 651 HB2 LYS A 40 -12.896 -12.596 -22.527 1.00 4.02 H -ATOM 652 HB3 LYS A 40 -11.810 -13.532 -23.555 1.00 4.35 H -ATOM 653 HG2 LYS A 40 -14.260 -14.362 -24.459 1.00 5.09 H -ATOM 654 HG3 LYS A 40 -14.590 -12.679 -24.047 1.00 4.47 H -ATOM 655 HD2 LYS A 40 -12.982 -11.863 -25.553 1.00 5.25 H -ATOM 656 HD3 LYS A 40 -12.135 -13.407 -25.630 1.00 5.52 H -ATOM 657 HE2 LYS A 40 -13.445 -12.989 -27.691 1.00 6.55 H -ATOM 658 HE3 LYS A 40 -14.035 -14.409 -26.826 1.00 6.28 H -ATOM 659 HZ1 LYS A 40 -15.575 -12.667 -25.695 1.00 6.71 H -ATOM 660 HZ2 LYS A 40 -15.258 -11.752 -27.090 1.00 6.79 H -ATOM 661 HZ3 LYS A 40 -15.972 -13.285 -27.228 1.00 6.75 H -ATOM 662 N VAL A 41 10.922 3.839 1.467 1.00 19.64 N -ATOM 663 CA VAL A 41 10.922 2.946 2.660 1.00 19.45 C -ATOM 664 C VAL A 41 11.924 3.470 3.690 1.00 18.79 C -ATOM 665 O VAL A 41 12.858 2.788 4.065 1.00 19.02 O -ATOM 666 CB VAL A 41 11.319 1.531 2.237 1.00 19.77 C -ATOM 667 CG1 VAL A 41 12.773 1.530 1.761 1.00 20.22 C -ATOM 668 CG2 VAL A 41 11.175 0.584 3.430 1.00 19.99 C -ATOM 669 H1 VAL A 41 11.602 4.612 1.611 1.00 19.83 H -ATOM 670 H2 VAL A 41 11.192 3.290 0.625 1.00 19.55 H -ATOM 671 H3 VAL A 41 9.971 4.237 1.331 1.00 19.78 H -ATOM 672 HA VAL A 41 9.934 2.928 3.095 1.00 19.68 H -ATOM 673 HB VAL A 41 10.677 1.202 1.432 1.00 19.65 H -ATOM 674 HG11 VAL A 41 13.082 2.542 1.546 1.00 20.58 H -ATOM 675 HG12 VAL A 41 13.404 1.118 2.534 1.00 20.10 H -ATOM 676 HG13 VAL A 41 12.859 0.930 0.867 1.00 20.40 H -ATOM 677 HG21 VAL A 41 10.220 0.749 3.907 1.00 20.15 H -ATOM 678 HG22 VAL A 41 11.233 -0.439 3.087 1.00 19.89 H -ATOM 679 HG23 VAL A 41 11.968 0.772 4.137 1.00 20.21 H -ATOM 680 N GLN A 42 11.741 4.678 4.152 1.00 18.10 N -ATOM 681 CA GLN A 42 12.685 5.241 5.159 1.00 17.56 C -ATOM 682 C GLN A 42 12.590 4.431 6.454 1.00 16.86 C -ATOM 683 O GLN A 42 11.536 3.947 6.817 1.00 16.59 O -ATOM 684 CB GLN A 42 12.323 6.702 5.444 1.00 17.30 C -ATOM 685 CG GLN A 42 12.678 7.573 4.235 1.00 17.01 C -ATOM 686 CD GLN A 42 14.098 7.249 3.768 1.00 16.75 C -ATOM 687 OE1 GLN A 42 14.289 6.722 2.689 1.00 17.03 O -ATOM 688 NE2 GLN A 42 15.109 7.543 4.538 1.00 16.36 N -ATOM 689 H GLN A 42 10.982 5.213 3.838 1.00 18.01 H -ATOM 690 HA GLN A 42 13.693 5.187 4.776 1.00 18.00 H -ATOM 691 HB2 GLN A 42 11.263 6.777 5.642 1.00 17.10 H -ATOM 692 HB3 GLN A 42 12.873 7.046 6.307 1.00 17.65 H -ATOM 693 HG2 GLN A 42 11.980 7.380 3.433 1.00 17.14 H -ATOM 694 HG3 GLN A 42 12.623 8.615 4.516 1.00 17.03 H -ATOM 695 HE21 GLN A 42 14.955 7.968 5.408 1.00 16.23 H -ATOM 696 HE22 GLN A 42 16.022 7.339 4.248 1.00 16.27 H -ATOM 697 N LEU A 43 13.683 4.279 7.151 1.00 16.69 N -ATOM 698 CA LEU A 43 13.652 3.498 8.420 1.00 16.15 C -ATOM 699 C LEU A 43 14.482 4.216 9.485 1.00 15.61 C -ATOM 700 O LEU A 43 14.705 3.701 10.563 1.00 15.57 O -ATOM 701 CB LEU A 43 14.237 2.106 8.175 1.00 16.73 C -ATOM 702 CG LEU A 43 13.415 1.065 8.934 1.00 16.88 C -ATOM 703 CD1 LEU A 43 11.964 1.106 8.452 1.00 17.47 C -ATOM 704 CD2 LEU A 43 13.997 -0.328 8.679 1.00 17.27 C -ATOM 705 H LEU A 43 14.523 4.675 6.840 1.00 17.00 H -ATOM 706 HA LEU A 43 12.632 3.404 8.760 1.00 15.90 H -ATOM 707 HB2 LEU A 43 14.211 1.886 7.117 1.00 17.22 H -ATOM 708 HB3 LEU A 43 15.259 2.080 8.523 1.00 16.67 H -ATOM 709 HG LEU A 43 13.449 1.282 9.993 1.00 16.46 H -ATOM 710 HD11 LEU A 43 11.922 1.571 7.477 1.00 17.89 H -ATOM 711 HD12 LEU A 43 11.577 0.100 8.388 1.00 17.56 H -ATOM 712 HD13 LEU A 43 11.369 1.676 9.149 1.00 17.50 H -ATOM 713 HD21 LEU A 43 15.044 -0.240 8.430 1.00 17.31 H -ATOM 714 HD22 LEU A 43 13.887 -0.932 9.567 1.00 17.40 H -ATOM 715 HD23 LEU A 43 13.470 -0.794 7.859 1.00 17.53 H -ATOM 716 N ALA A 44 14.945 5.401 9.196 1.00 15.34 N -ATOM 717 CA ALA A 44 15.760 6.146 10.196 1.00 14.99 C -ATOM 718 C ALA A 44 14.835 6.805 11.222 1.00 14.10 C -ATOM 719 O ALA A 44 15.270 7.261 12.261 1.00 13.96 O -ATOM 720 CB ALA A 44 16.585 7.221 9.486 1.00 15.58 C -ATOM 721 H ALA A 44 14.757 5.802 8.321 1.00 15.48 H -ATOM 722 HA ALA A 44 16.423 5.457 10.700 1.00 15.10 H -ATOM 723 HB1 ALA A 44 16.074 7.530 8.586 1.00 15.78 H -ATOM 724 HB2 ALA A 44 16.707 8.071 10.141 1.00 15.78 H -ATOM 725 HB3 ALA A 44 17.555 6.821 9.231 1.00 15.73 H -ATOM 726 N HIS A 45 13.561 6.858 10.937 1.00 13.65 N -ATOM 727 CA HIS A 45 12.602 7.485 11.894 1.00 12.91 C -ATOM 728 C HIS A 45 12.691 9.009 11.785 1.00 12.30 C -ATOM 729 O HIS A 45 13.696 9.608 12.110 1.00 12.38 O -ATOM 730 CB HIS A 45 12.948 7.057 13.321 1.00 12.96 C -ATOM 731 CG HIS A 45 11.681 6.764 14.080 1.00 13.34 C -ATOM 732 ND1 HIS A 45 11.040 5.538 14.002 1.00 13.54 N -ATOM 733 CD2 HIS A 45 10.926 7.528 14.935 1.00 13.74 C -ATOM 734 CE1 HIS A 45 9.951 5.599 14.791 1.00 14.03 C -ATOM 735 NE2 HIS A 45 9.835 6.791 15.383 1.00 14.18 N -ATOM 736 H HIS A 45 13.233 6.483 10.094 1.00 13.88 H -ATOM 737 HA HIS A 45 11.598 7.166 11.656 1.00 12.98 H -ATOM 738 HB2 HIS A 45 13.562 6.168 13.291 1.00 13.11 H -ATOM 739 HB3 HIS A 45 13.486 7.851 13.815 1.00 12.79 H -ATOM 740 HD1 HIS A 45 11.326 4.766 13.471 1.00 13.46 H -ATOM 741 HD2 HIS A 45 11.148 8.546 15.218 1.00 13.85 H -ATOM 742 HE1 HIS A 45 9.257 4.783 14.931 1.00 14.39 H -ATOM 743 N HIS A 46 11.642 9.641 11.330 1.00 11.87 N -ATOM 744 CA HIS A 46 11.663 11.126 11.202 1.00 11.46 C -ATOM 745 C HIS A 46 10.453 11.584 10.386 1.00 10.55 C -ATOM 746 O HIS A 46 10.539 12.499 9.591 1.00 10.53 O -ATOM 747 CB HIS A 46 12.947 11.562 10.496 1.00 11.84 C -ATOM 748 CG HIS A 46 13.878 12.195 11.493 1.00 12.35 C -ATOM 749 ND1 HIS A 46 15.168 11.734 11.697 1.00 12.68 N -ATOM 750 CD2 HIS A 46 13.718 13.256 12.350 1.00 12.80 C -ATOM 751 CE1 HIS A 46 15.731 12.506 12.643 1.00 13.29 C -ATOM 752 NE2 HIS A 46 14.890 13.450 13.076 1.00 13.39 N -ATOM 753 H HIS A 46 10.841 9.139 11.075 1.00 11.95 H -ATOM 754 HA HIS A 46 11.623 11.573 12.185 1.00 11.76 H -ATOM 755 HB2 HIS A 46 13.425 10.700 10.053 1.00 11.94 H -ATOM 756 HB3 HIS A 46 12.708 12.277 9.722 1.00 11.86 H -ATOM 757 HD1 HIS A 46 15.594 10.982 11.234 1.00 12.63 H -ATOM 758 HD2 HIS A 46 12.821 13.848 12.447 1.00 12.83 H -ATOM 759 HE1 HIS A 46 16.739 12.379 13.009 1.00 13.77 H -ATOM 760 N PHE A 47 9.325 10.955 10.575 1.00 10.00 N -ATOM 761 CA PHE A 47 8.112 11.355 9.808 1.00 9.29 C -ATOM 762 C PHE A 47 6.882 11.261 10.712 1.00 8.27 C -ATOM 763 O PHE A 47 6.497 12.218 11.354 1.00 8.29 O -ATOM 764 CB PHE A 47 7.938 10.421 8.609 1.00 9.52 C -ATOM 765 CG PHE A 47 8.436 11.107 7.359 1.00 10.43 C -ATOM 766 CD1 PHE A 47 9.807 11.315 7.173 1.00 10.86 C -ATOM 767 CD2 PHE A 47 7.524 11.534 6.387 1.00 11.07 C -ATOM 768 CE1 PHE A 47 10.268 11.950 6.014 1.00 11.86 C -ATOM 769 CE2 PHE A 47 7.985 12.169 5.227 1.00 12.06 C -ATOM 770 CZ PHE A 47 9.357 12.377 5.040 1.00 12.43 C -ATOM 771 H PHE A 47 9.277 10.218 11.220 1.00 10.20 H -ATOM 772 HA PHE A 47 8.226 12.371 9.459 1.00 9.58 H -ATOM 773 HB2 PHE A 47 8.505 9.516 8.773 1.00 9.36 H -ATOM 774 HB3 PHE A 47 6.893 10.175 8.492 1.00 9.45 H -ATOM 775 HD1 PHE A 47 10.510 10.985 7.923 1.00 10.55 H -ATOM 776 HD2 PHE A 47 6.466 11.374 6.530 1.00 10.94 H -ATOM 777 HE1 PHE A 47 11.326 12.110 5.870 1.00 12.32 H -ATOM 778 HE2 PHE A 47 7.282 12.498 4.476 1.00 12.65 H -ATOM 779 HZ PHE A 47 9.712 12.867 4.145 1.00 13.28 H -ATOM 780 N SER A 48 6.261 10.114 10.769 1.00 7.61 N -ATOM 781 CA SER A 48 5.057 9.961 11.633 1.00 6.80 C -ATOM 782 C SER A 48 5.489 9.555 13.043 1.00 5.60 C -ATOM 783 O SER A 48 5.878 8.430 13.285 1.00 5.39 O -ATOM 784 CB SER A 48 4.145 8.883 11.047 1.00 7.36 C -ATOM 785 OG SER A 48 3.607 9.343 9.814 1.00 8.12 O -ATOM 786 H SER A 48 6.587 9.354 10.243 1.00 7.83 H -ATOM 787 HA SER A 48 4.523 10.899 11.676 1.00 6.96 H -ATOM 788 HB2 SER A 48 4.713 7.985 10.873 1.00 7.45 H -ATOM 789 HB3 SER A 48 3.345 8.672 11.745 1.00 7.39 H -ATOM 790 HG SER A 48 3.215 10.207 9.965 1.00 8.23 H -ATOM 791 N GLU A 49 5.424 10.465 13.977 1.00 5.12 N -ATOM 792 CA GLU A 49 5.831 10.134 15.371 1.00 4.22 C -ATOM 793 C GLU A 49 4.836 9.143 15.986 1.00 3.04 C -ATOM 794 O GLU A 49 5.227 8.092 16.453 1.00 3.18 O -ATOM 795 CB GLU A 49 5.867 11.414 16.210 1.00 4.88 C -ATOM 796 CG GLU A 49 7.321 11.828 16.447 1.00 5.77 C -ATOM 797 CD GLU A 49 7.751 12.827 15.371 1.00 6.71 C -ATOM 798 OE1 GLU A 49 7.075 13.831 15.219 1.00 7.29 O -ATOM 799 OE2 GLU A 49 8.748 12.570 14.716 1.00 7.09 O -ATOM 800 H GLU A 49 5.108 11.367 13.760 1.00 5.60 H -ATOM 801 HA GLU A 49 6.815 9.689 15.358 1.00 4.31 H -ATOM 802 HB2 GLU A 49 5.348 12.202 15.685 1.00 5.35 H -ATOM 803 HB3 GLU A 49 5.386 11.235 17.159 1.00 4.66 H -ATOM 804 HG2 GLU A 49 7.411 12.287 17.421 1.00 5.92 H -ATOM 805 HG3 GLU A 49 7.957 10.956 16.400 1.00 5.90 H -ATOM 806 N PRO A 50 3.576 9.506 15.974 1.00 2.28 N -ATOM 807 CA PRO A 50 2.512 8.653 16.536 1.00 1.48 C -ATOM 808 C PRO A 50 2.466 7.303 15.812 1.00 1.33 C -ATOM 809 O PRO A 50 2.901 7.176 14.683 1.00 1.29 O -ATOM 810 CB PRO A 50 1.213 9.437 16.302 1.00 2.00 C -ATOM 811 CG PRO A 50 1.588 10.778 15.622 1.00 2.71 C -ATOM 812 CD PRO A 50 3.110 10.785 15.405 1.00 2.87 C -ATOM 813 HA PRO A 50 2.666 8.508 17.594 1.00 1.64 H -ATOM 814 HB2 PRO A 50 0.555 8.868 15.659 1.00 2.42 H -ATOM 815 HB3 PRO A 50 0.728 9.633 17.245 1.00 2.16 H -ATOM 816 HG2 PRO A 50 1.081 10.861 14.671 1.00 3.49 H -ATOM 817 HG3 PRO A 50 1.310 11.603 16.260 1.00 2.78 H -ATOM 818 HD2 PRO A 50 3.333 10.836 14.349 1.00 3.66 H -ATOM 819 HD3 PRO A 50 3.561 11.612 15.930 1.00 3.03 H -ATOM 820 N GLU A 51 1.940 6.296 16.454 1.00 1.30 N -ATOM 821 CA GLU A 51 1.864 4.955 15.808 1.00 1.19 C -ATOM 822 C GLU A 51 0.907 5.007 14.616 1.00 1.06 C -ATOM 823 O GLU A 51 1.324 4.983 13.476 1.00 1.01 O -ATOM 824 CB GLU A 51 1.354 3.929 16.821 1.00 1.29 C -ATOM 825 CG GLU A 51 2.332 3.834 17.993 1.00 1.90 C -ATOM 826 CD GLU A 51 1.565 3.975 19.308 1.00 2.25 C -ATOM 827 OE1 GLU A 51 0.939 5.004 19.498 1.00 2.89 O -ATOM 828 OE2 GLU A 51 1.616 3.051 20.103 1.00 2.52 O -ATOM 829 H GLU A 51 1.595 6.422 17.362 1.00 1.39 H -ATOM 830 HA GLU A 51 2.847 4.664 15.467 1.00 1.17 H -ATOM 831 HB2 GLU A 51 0.383 4.236 17.185 1.00 1.78 H -ATOM 832 HB3 GLU A 51 1.270 2.963 16.345 1.00 1.39 H -ATOM 833 HG2 GLU A 51 2.831 2.876 17.966 1.00 2.21 H -ATOM 834 HG3 GLU A 51 3.063 4.624 17.917 1.00 2.64 H -ATOM 835 N ILE A 52 -0.374 5.068 14.874 1.00 1.07 N -ATOM 836 CA ILE A 52 -1.367 5.112 13.766 1.00 0.98 C -ATOM 837 C ILE A 52 -0.853 6.001 12.631 1.00 0.89 C -ATOM 838 O ILE A 52 -0.984 5.675 11.467 1.00 0.82 O -ATOM 839 CB ILE A 52 -2.692 5.662 14.302 1.00 1.09 C -ATOM 840 CG1 ILE A 52 -3.814 5.264 13.351 1.00 1.29 C -ATOM 841 CG2 ILE A 52 -2.627 7.189 14.409 1.00 1.27 C -ATOM 842 CD1 ILE A 52 -4.804 4.363 14.087 1.00 2.11 C -ATOM 843 H ILE A 52 -0.685 5.079 15.801 1.00 1.17 H -ATOM 844 HA ILE A 52 -1.525 4.111 13.392 1.00 0.94 H -ATOM 845 HB ILE A 52 -2.887 5.244 15.279 1.00 1.22 H -ATOM 846 HG12 ILE A 52 -4.320 6.151 13.000 1.00 1.49 H -ATOM 847 HG13 ILE A 52 -3.396 4.729 12.512 1.00 1.36 H -ATOM 848 HG21 ILE A 52 -1.726 7.475 14.929 1.00 1.79 H -ATOM 849 HG22 ILE A 52 -2.623 7.619 13.418 1.00 1.73 H -ATOM 850 HG23 ILE A 52 -3.487 7.549 14.953 1.00 1.50 H -ATOM 851 HD11 ILE A 52 -4.282 3.807 14.852 1.00 2.58 H -ATOM 852 HD12 ILE A 52 -5.573 4.969 14.544 1.00 2.56 H -ATOM 853 HD13 ILE A 52 -5.256 3.675 13.387 1.00 2.50 H -ATOM 854 N THR A 53 -0.268 7.118 12.958 1.00 0.92 N -ATOM 855 CA THR A 53 0.256 8.023 11.896 1.00 0.87 C -ATOM 856 C THR A 53 1.333 7.292 11.090 1.00 0.77 C -ATOM 857 O THR A 53 1.343 7.327 9.874 1.00 0.69 O -ATOM 858 CB THR A 53 0.847 9.286 12.533 1.00 0.99 C -ATOM 859 OG1 THR A 53 1.523 8.946 13.737 1.00 1.57 O -ATOM 860 CG2 THR A 53 -0.276 10.276 12.839 1.00 1.43 C -ATOM 861 H THR A 53 -0.170 7.363 13.901 1.00 1.01 H -ATOM 862 HA THR A 53 -0.554 8.302 11.237 1.00 0.85 H -ATOM 863 HB THR A 53 1.544 9.741 11.847 1.00 1.38 H -ATOM 864 HG1 THR A 53 1.591 7.992 13.783 1.00 1.99 H -ATOM 865 HG21 THR A 53 -1.138 10.041 12.234 1.00 1.95 H -ATOM 866 HG22 THR A 53 -0.541 10.209 13.884 1.00 1.96 H -ATOM 867 HG23 THR A 53 0.057 11.279 12.617 1.00 1.85 H -ATOM 868 N LEU A 54 2.250 6.639 11.749 1.00 0.81 N -ATOM 869 CA LEU A 54 3.319 5.923 10.997 1.00 0.74 C -ATOM 870 C LEU A 54 2.749 4.655 10.362 1.00 0.62 C -ATOM 871 O LEU A 54 2.981 4.385 9.202 1.00 0.52 O -ATOM 872 CB LEU A 54 4.460 5.541 11.947 1.00 0.87 C -ATOM 873 CG LEU A 54 5.801 5.645 11.214 1.00 1.11 C -ATOM 874 CD1 LEU A 54 6.877 4.911 12.016 1.00 1.02 C -ATOM 875 CD2 LEU A 54 5.685 5.009 9.825 1.00 1.63 C -ATOM 876 H LEU A 54 2.238 6.624 12.730 1.00 0.89 H -ATOM 877 HA LEU A 54 3.702 6.566 10.218 1.00 0.73 H -ATOM 878 HB2 LEU A 54 4.463 6.210 12.795 1.00 1.12 H -ATOM 879 HB3 LEU A 54 4.318 4.527 12.290 1.00 1.06 H -ATOM 880 HG LEU A 54 6.075 6.685 11.114 1.00 1.49 H -ATOM 881 HD11 LEU A 54 6.444 4.521 12.925 1.00 1.17 H -ATOM 882 HD12 LEU A 54 7.271 4.095 11.428 1.00 1.50 H -ATOM 883 HD13 LEU A 54 7.674 5.596 12.261 1.00 1.52 H -ATOM 884 HD21 LEU A 54 5.233 4.032 9.913 1.00 2.19 H -ATOM 885 HD22 LEU A 54 5.072 5.635 9.194 1.00 1.88 H -ATOM 886 HD23 LEU A 54 6.669 4.913 9.391 1.00 2.07 H -ATOM 887 N ILE A 55 2.014 3.863 11.097 1.00 0.66 N -ATOM 888 CA ILE A 55 1.463 2.621 10.485 1.00 0.59 C -ATOM 889 C ILE A 55 0.616 2.986 9.264 1.00 0.48 C -ATOM 890 O ILE A 55 0.783 2.429 8.196 1.00 0.39 O -ATOM 891 CB ILE A 55 0.593 1.885 11.506 1.00 0.70 C -ATOM 892 CG1 ILE A 55 1.424 1.569 12.752 1.00 0.89 C -ATOM 893 CG2 ILE A 55 0.078 0.582 10.891 1.00 0.73 C -ATOM 894 CD1 ILE A 55 0.493 1.180 13.901 1.00 1.02 C -ATOM 895 H ILE A 55 1.832 4.078 12.036 1.00 0.76 H -ATOM 896 HA ILE A 55 2.277 1.981 10.179 1.00 0.57 H -ATOM 897 HB ILE A 55 -0.246 2.508 11.781 1.00 0.70 H -ATOM 898 HG12 ILE A 55 2.095 0.750 12.537 1.00 0.95 H -ATOM 899 HG13 ILE A 55 1.996 2.440 13.033 1.00 0.95 H -ATOM 900 HG21 ILE A 55 -0.424 0.799 9.960 1.00 1.16 H -ATOM 901 HG22 ILE A 55 0.910 -0.081 10.706 1.00 1.26 H -ATOM 902 HG23 ILE A 55 -0.614 0.112 11.573 1.00 1.34 H -ATOM 903 HD11 ILE A 55 -0.496 0.980 13.512 1.00 1.45 H -ATOM 904 HD12 ILE A 55 0.873 0.294 14.389 1.00 1.40 H -ATOM 905 HD13 ILE A 55 0.441 1.990 14.614 1.00 1.51 H -ATOM 906 N ILE A 56 -0.272 3.938 9.397 1.00 0.51 N -ATOM 907 CA ILE A 56 -1.092 4.344 8.222 1.00 0.45 C -ATOM 908 C ILE A 56 -0.154 4.797 7.104 1.00 0.35 C -ATOM 909 O ILE A 56 -0.285 4.401 5.961 1.00 0.30 O -ATOM 910 CB ILE A 56 -2.051 5.475 8.611 1.00 0.52 C -ATOM 911 CG1 ILE A 56 -3.076 5.680 7.493 1.00 1.19 C -ATOM 912 CG2 ILE A 56 -1.276 6.773 8.831 1.00 1.41 C -ATOM 913 CD1 ILE A 56 -4.484 5.462 8.048 1.00 1.86 C -ATOM 914 H ILE A 56 -0.382 4.394 10.258 1.00 0.59 H -ATOM 915 HA ILE A 56 -1.664 3.493 7.879 1.00 0.46 H -ATOM 916 HB ILE A 56 -2.563 5.209 9.522 1.00 1.05 H -ATOM 917 HG12 ILE A 56 -2.991 6.685 7.106 1.00 1.77 H -ATOM 918 HG13 ILE A 56 -2.890 4.970 6.700 1.00 1.90 H -ATOM 919 HG21 ILE A 56 -0.760 7.045 7.924 1.00 1.89 H -ATOM 920 HG22 ILE A 56 -1.964 7.560 9.103 1.00 1.87 H -ATOM 921 HG23 ILE A 56 -0.563 6.630 9.626 1.00 2.07 H -ATOM 922 HD11 ILE A 56 -4.422 4.972 9.008 1.00 2.48 H -ATOM 923 HD12 ILE A 56 -4.978 6.416 8.162 1.00 2.31 H -ATOM 924 HD13 ILE A 56 -5.049 4.845 7.365 1.00 2.21 H -ATOM 925 N PHE A 57 0.802 5.624 7.438 1.00 0.37 N -ATOM 926 CA PHE A 57 1.770 6.113 6.413 1.00 0.34 C -ATOM 927 C PHE A 57 2.465 4.923 5.758 1.00 0.29 C -ATOM 928 O PHE A 57 2.591 4.852 4.552 1.00 0.27 O -ATOM 929 CB PHE A 57 2.821 7.018 7.066 1.00 0.44 C -ATOM 930 CG PHE A 57 2.475 8.464 6.792 1.00 1.05 C -ATOM 931 CD1 PHE A 57 1.389 9.059 7.443 1.00 1.80 C -ATOM 932 CD2 PHE A 57 3.242 9.206 5.885 1.00 1.97 C -ATOM 933 CE1 PHE A 57 1.068 10.398 7.188 1.00 2.57 C -ATOM 934 CE2 PHE A 57 2.920 10.546 5.631 1.00 2.71 C -ATOM 935 CZ PHE A 57 1.834 11.141 6.282 1.00 2.81 C -ATOM 936 H PHE A 57 0.880 5.921 8.370 1.00 0.43 H -ATOM 937 HA PHE A 57 1.235 6.674 5.659 1.00 0.34 H -ATOM 938 HB2 PHE A 57 2.840 6.848 8.133 1.00 0.94 H -ATOM 939 HB3 PHE A 57 3.792 6.799 6.650 1.00 0.81 H -ATOM 940 HD1 PHE A 57 0.797 8.485 8.142 1.00 2.26 H -ATOM 941 HD2 PHE A 57 4.080 8.747 5.384 1.00 2.49 H -ATOM 942 HE1 PHE A 57 0.229 10.857 7.691 1.00 3.32 H -ATOM 943 HE2 PHE A 57 3.512 11.118 4.931 1.00 3.52 H -ATOM 944 HZ PHE A 57 1.586 12.173 6.085 1.00 3.51 H -ATOM 945 N GLY A 58 2.926 3.987 6.541 1.00 0.30 N -ATOM 946 CA GLY A 58 3.621 2.807 5.957 1.00 0.28 C -ATOM 947 C GLY A 58 2.695 2.119 4.956 1.00 0.22 C -ATOM 948 O GLY A 58 3.091 1.801 3.854 1.00 0.23 O -ATOM 949 H GLY A 58 2.823 4.065 7.514 1.00 0.34 H -ATOM 950 HA2 GLY A 58 4.522 3.132 5.453 1.00 0.31 H -ATOM 951 HA3 GLY A 58 3.879 2.113 6.743 1.00 0.31 H -ATOM 952 N VAL A 59 1.460 1.893 5.318 1.00 0.22 N -ATOM 953 CA VAL A 59 0.530 1.234 4.359 1.00 0.23 C -ATOM 954 C VAL A 59 0.476 2.069 3.078 1.00 0.22 C -ATOM 955 O VAL A 59 0.616 1.557 1.982 1.00 0.23 O -ATOM 956 CB VAL A 59 -0.861 1.146 4.986 1.00 0.27 C -ATOM 957 CG1 VAL A 59 -1.835 0.522 3.985 1.00 0.33 C -ATOM 958 CG2 VAL A 59 -0.791 0.275 6.244 1.00 0.30 C -ATOM 959 H VAL A 59 1.148 2.159 6.208 1.00 0.24 H -ATOM 960 HA VAL A 59 0.885 0.243 4.129 1.00 0.25 H -ATOM 961 HB VAL A 59 -1.201 2.138 5.249 1.00 0.30 H -ATOM 962 HG11 VAL A 59 -1.462 0.668 2.982 1.00 0.98 H -ATOM 963 HG12 VAL A 59 -1.927 -0.536 4.185 1.00 1.10 H -ATOM 964 HG13 VAL A 59 -2.802 0.994 4.083 1.00 1.05 H -ATOM 965 HG21 VAL A 59 0.219 0.277 6.628 1.00 0.93 H -ATOM 966 HG22 VAL A 59 -1.462 0.669 6.993 1.00 1.14 H -ATOM 967 HG23 VAL A 59 -1.080 -0.737 5.998 1.00 1.08 H -ATOM 968 N MET A 60 0.305 3.357 3.208 1.00 0.22 N -ATOM 969 CA MET A 60 0.280 4.228 2.000 1.00 0.23 C -ATOM 970 C MET A 60 1.593 4.045 1.238 1.00 0.24 C -ATOM 971 O MET A 60 1.615 3.860 0.036 1.00 0.25 O -ATOM 972 CB MET A 60 0.132 5.690 2.428 1.00 0.26 C -ATOM 973 CG MET A 60 -1.175 5.866 3.203 1.00 0.32 C -ATOM 974 SD MET A 60 -1.605 7.623 3.273 1.00 1.15 S -ATOM 975 CE MET A 60 -0.141 8.182 4.180 1.00 1.83 C -ATOM 976 H MET A 60 0.218 3.753 4.101 1.00 0.22 H -ATOM 977 HA MET A 60 -0.550 3.948 1.367 1.00 0.25 H -ATOM 978 HB2 MET A 60 0.966 5.966 3.057 1.00 0.29 H -ATOM 979 HB3 MET A 60 0.117 6.322 1.552 1.00 0.30 H -ATOM 980 HG2 MET A 60 -1.965 5.323 2.705 1.00 0.69 H -ATOM 981 HG3 MET A 60 -1.053 5.485 4.205 1.00 0.71 H -ATOM 982 HE1 MET A 60 0.745 7.763 3.725 1.00 2.42 H -ATOM 983 HE2 MET A 60 -0.085 9.257 4.147 1.00 2.17 H -ATOM 984 HE3 MET A 60 -0.211 7.857 5.210 1.00 2.39 H -ATOM 985 N ALA A 61 2.689 4.093 1.946 1.00 0.25 N -ATOM 986 CA ALA A 61 4.020 3.922 1.300 1.00 0.27 C -ATOM 987 C ALA A 61 4.071 2.579 0.564 1.00 0.26 C -ATOM 988 O ALA A 61 4.520 2.504 -0.563 1.00 0.27 O -ATOM 989 CB ALA A 61 5.132 3.997 2.357 1.00 0.31 C -ATOM 990 H ALA A 61 2.636 4.239 2.912 1.00 0.25 H -ATOM 991 HA ALA A 61 4.164 4.718 0.583 1.00 0.29 H -ATOM 992 HB1 ALA A 61 4.700 3.938 3.346 1.00 1.02 H -ATOM 993 HB2 ALA A 61 5.827 3.183 2.216 1.00 1.10 H -ATOM 994 HB3 ALA A 61 5.657 4.936 2.255 1.00 1.06 H -ATOM 995 N GLY A 62 3.630 1.511 1.183 1.00 0.25 N -ATOM 996 CA GLY A 62 3.682 0.194 0.492 1.00 0.26 C -ATOM 997 C GLY A 62 2.921 0.286 -0.828 1.00 0.24 C -ATOM 998 O GLY A 62 3.406 -0.133 -1.860 1.00 0.24 O -ATOM 999 H GLY A 62 3.271 1.573 2.091 1.00 0.25 H -ATOM 1000 HA2 GLY A 62 4.713 -0.072 0.300 1.00 0.29 H -ATOM 1001 HA3 GLY A 62 3.225 -0.559 1.116 1.00 0.27 H -ATOM 1002 N VAL A 63 1.738 0.838 -0.817 1.00 0.22 N -ATOM 1003 CA VAL A 63 0.980 0.953 -2.095 1.00 0.21 C -ATOM 1004 C VAL A 63 1.825 1.734 -3.108 1.00 0.21 C -ATOM 1005 O VAL A 63 1.984 1.329 -4.243 1.00 0.21 O -ATOM 1006 CB VAL A 63 -0.337 1.692 -1.851 1.00 0.23 C -ATOM 1007 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 0.28 C -ATOM 1008 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 0.31 C -ATOM 1009 H VAL A 63 1.355 1.179 0.022 1.00 0.22 H -ATOM 1010 HA VAL A 63 0.774 -0.035 -2.481 1.00 0.22 H -ATOM 1011 HB VAL A 63 -0.128 2.685 -1.480 1.00 0.28 H -ATOM 1012 HG11 VAL A 63 -0.468 2.167 -3.940 1.00 0.98 H -ATOM 1013 HG12 VAL A 63 -1.483 0.814 -3.439 1.00 1.07 H -ATOM 1014 HG13 VAL A 63 -1.952 2.465 -3.034 1.00 1.13 H -ATOM 1015 HG21 VAL A 63 -1.152 -0.129 -1.058 1.00 0.96 H -ATOM 1016 HG22 VAL A 63 -0.755 1.080 0.164 1.00 1.07 H -ATOM 1017 HG23 VAL A 63 -2.188 1.281 -0.844 1.00 1.14 H -ATOM 1018 N ILE A 64 2.377 2.848 -2.700 1.00 0.23 N -ATOM 1019 CA ILE A 64 3.220 3.652 -3.630 1.00 0.25 C -ATOM 1020 C ILE A 64 4.373 2.794 -4.161 1.00 0.26 C -ATOM 1021 O ILE A 64 4.652 2.776 -5.343 1.00 0.26 O -ATOM 1022 CB ILE A 64 3.785 4.863 -2.886 1.00 0.30 C -ATOM 1023 CG1 ILE A 64 2.645 5.822 -2.537 1.00 0.32 C -ATOM 1024 CG2 ILE A 64 4.800 5.581 -3.777 1.00 0.40 C -ATOM 1025 CD1 ILE A 64 3.053 6.690 -1.345 1.00 1.06 C -ATOM 1026 H ILE A 64 2.238 3.156 -1.779 1.00 0.24 H -ATOM 1027 HA ILE A 64 2.615 3.992 -4.458 1.00 0.26 H -ATOM 1028 HB ILE A 64 4.272 4.533 -1.979 1.00 0.33 H -ATOM 1029 HG12 ILE A 64 2.434 6.454 -3.388 1.00 0.77 H -ATOM 1030 HG13 ILE A 64 1.763 5.255 -2.281 1.00 0.79 H -ATOM 1031 HG21 ILE A 64 4.393 5.692 -4.771 1.00 1.11 H -ATOM 1032 HG22 ILE A 64 5.014 6.556 -3.366 1.00 1.08 H -ATOM 1033 HG23 ILE A 64 5.712 5.003 -3.824 1.00 1.05 H -ATOM 1034 HD11 ILE A 64 3.602 6.090 -0.634 1.00 1.59 H -ATOM 1035 HD12 ILE A 64 3.677 7.503 -1.688 1.00 1.60 H -ATOM 1036 HD13 ILE A 64 2.169 7.090 -0.873 1.00 1.66 H -ATOM 1037 N GLY A 65 5.053 2.091 -3.294 1.00 0.27 N -ATOM 1038 CA GLY A 65 6.193 1.245 -3.750 1.00 0.30 C -ATOM 1039 C GLY A 65 5.711 0.257 -4.810 1.00 0.27 C -ATOM 1040 O GLY A 65 6.327 0.097 -5.845 1.00 0.29 O -ATOM 1041 H GLY A 65 4.820 2.123 -2.344 1.00 0.28 H -ATOM 1042 HA2 GLY A 65 6.963 1.877 -4.168 1.00 0.33 H -ATOM 1043 HA3 GLY A 65 6.593 0.699 -2.909 1.00 0.33 H -ATOM 1044 N THR A 66 4.615 -0.409 -4.567 1.00 0.24 N -ATOM 1045 CA THR A 66 4.107 -1.382 -5.573 1.00 0.24 C -ATOM 1046 C THR A 66 3.892 -0.660 -6.903 1.00 0.24 C -ATOM 1047 O THR A 66 4.305 -1.126 -7.947 1.00 0.28 O -ATOM 1048 CB THR A 66 2.780 -1.974 -5.091 1.00 0.25 C -ATOM 1049 OG1 THR A 66 2.935 -2.460 -3.763 1.00 0.32 O -ATOM 1050 CG2 THR A 66 2.371 -3.123 -6.014 1.00 0.28 C -ATOM 1051 H THR A 66 4.129 -0.268 -3.727 1.00 0.24 H -ATOM 1052 HA THR A 66 4.829 -2.174 -5.705 1.00 0.28 H -ATOM 1053 HB THR A 66 2.017 -1.213 -5.109 1.00 0.25 H -ATOM 1054 HG1 THR A 66 3.028 -1.704 -3.179 1.00 0.39 H -ATOM 1055 HG21 THR A 66 2.425 -2.795 -7.042 1.00 1.00 H -ATOM 1056 HG22 THR A 66 3.041 -3.958 -5.868 1.00 1.09 H -ATOM 1057 HG23 THR A 66 1.361 -3.428 -5.786 1.00 0.99 H -ATOM 1058 N ILE A 67 3.256 0.481 -6.875 1.00 0.23 N -ATOM 1059 CA ILE A 67 3.029 1.232 -8.141 1.00 0.29 C -ATOM 1060 C ILE A 67 4.377 1.506 -8.812 1.00 0.33 C -ATOM 1061 O ILE A 67 4.550 1.292 -9.996 1.00 0.40 O -ATOM 1062 CB ILE A 67 2.331 2.558 -7.830 1.00 0.33 C -ATOM 1063 CG1 ILE A 67 0.878 2.287 -7.431 1.00 0.34 C -ATOM 1064 CG2 ILE A 67 2.359 3.454 -9.069 1.00 0.40 C -ATOM 1065 CD1 ILE A 67 0.281 3.542 -6.791 1.00 0.41 C -ATOM 1066 H ILE A 67 2.936 0.844 -6.022 1.00 0.21 H -ATOM 1067 HA ILE A 67 2.409 0.645 -8.802 1.00 0.32 H -ATOM 1068 HB ILE A 67 2.843 3.053 -7.017 1.00 0.34 H -ATOM 1069 HG12 ILE A 67 0.308 2.024 -8.309 1.00 0.40 H -ATOM 1070 HG13 ILE A 67 0.845 1.473 -6.723 1.00 0.34 H -ATOM 1071 HG21 ILE A 67 2.751 2.897 -9.907 1.00 1.10 H -ATOM 1072 HG22 ILE A 67 1.356 3.785 -9.296 1.00 0.98 H -ATOM 1073 HG23 ILE A 67 2.987 4.311 -8.880 1.00 1.06 H -ATOM 1074 HD11 ILE A 67 0.898 3.850 -5.960 1.00 1.07 H -ATOM 1075 HD12 ILE A 67 0.239 4.334 -7.522 1.00 1.11 H -ATOM 1076 HD13 ILE A 67 -0.716 3.324 -6.437 1.00 1.14 H -ATOM 1077 N LEU A 68 5.335 1.973 -8.058 1.00 0.33 N -ATOM 1078 CA LEU A 68 6.676 2.257 -8.638 1.00 0.41 C -ATOM 1079 C LEU A 68 7.222 0.975 -9.283 1.00 0.44 C -ATOM 1080 O LEU A 68 7.717 0.988 -10.392 1.00 0.51 O -ATOM 1081 CB LEU A 68 7.606 2.778 -7.519 1.00 0.44 C -ATOM 1082 CG LEU A 68 8.904 1.964 -7.431 1.00 0.76 C -ATOM 1083 CD1 LEU A 68 9.801 2.296 -8.625 1.00 1.14 C -ATOM 1084 CD2 LEU A 68 9.635 2.314 -6.133 1.00 1.06 C -ATOM 1085 H LEU A 68 5.175 2.132 -7.105 1.00 0.30 H -ATOM 1086 HA LEU A 68 6.576 3.017 -9.400 1.00 0.46 H -ATOM 1087 HB2 LEU A 68 7.854 3.810 -7.718 1.00 0.70 H -ATOM 1088 HB3 LEU A 68 7.087 2.718 -6.572 1.00 0.61 H -ATOM 1089 HG LEU A 68 8.667 0.911 -7.439 1.00 0.84 H -ATOM 1090 HD11 LEU A 68 9.770 3.358 -8.814 1.00 1.55 H -ATOM 1091 HD12 LEU A 68 10.816 2.000 -8.406 1.00 1.54 H -ATOM 1092 HD13 LEU A 68 9.451 1.764 -9.497 1.00 1.72 H -ATOM 1093 HD21 LEU A 68 9.102 3.101 -5.619 1.00 1.51 H -ATOM 1094 HD22 LEU A 68 9.685 1.440 -5.500 1.00 1.52 H -ATOM 1095 HD23 LEU A 68 10.636 2.649 -6.363 1.00 1.60 H -ATOM 1096 N LEU A 69 7.140 -0.130 -8.592 1.00 0.40 N -ATOM 1097 CA LEU A 69 7.658 -1.407 -9.164 1.00 0.47 C -ATOM 1098 C LEU A 69 6.966 -1.686 -10.500 1.00 0.51 C -ATOM 1099 O LEU A 69 7.604 -2.009 -11.482 1.00 0.60 O -ATOM 1100 CB LEU A 69 7.375 -2.557 -8.193 1.00 0.47 C -ATOM 1101 CG LEU A 69 8.116 -3.813 -8.658 1.00 1.14 C -ATOM 1102 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 2.02 C -ATOM 1103 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 1.67 C -ATOM 1104 H LEU A 69 6.737 -0.118 -7.696 1.00 0.36 H -ATOM 1105 HA LEU A 69 8.725 -1.324 -9.325 1.00 0.54 H -ATOM 1106 HB2 LEU A 69 7.714 -2.284 -7.204 1.00 0.81 H -ATOM 1107 HB3 LEU A 69 6.314 -2.755 -8.168 1.00 0.89 H -ATOM 1108 HG LEU A 69 7.742 -4.112 -9.627 1.00 1.90 H -ATOM 1109 HD11 LEU A 69 9.892 -2.804 -7.997 1.00 2.49 H -ATOM 1110 HD12 LEU A 69 10.170 -4.432 -8.615 1.00 2.41 H -ATOM 1111 HD13 LEU A 69 9.836 -3.111 -9.733 1.00 2.62 H -ATOM 1112 HD21 LEU A 69 7.158 -4.628 -6.916 1.00 2.08 H -ATOM 1113 HD22 LEU A 69 7.526 -5.818 -8.167 1.00 2.26 H -ATOM 1114 HD23 LEU A 69 8.819 -5.175 -7.155 1.00 2.09 H -ATOM 1115 N ILE A 70 5.669 -1.563 -10.550 1.00 0.47 N -ATOM 1116 CA ILE A 70 4.949 -1.820 -11.829 1.00 0.57 C -ATOM 1117 C ILE A 70 5.506 -0.908 -12.918 1.00 0.65 C -ATOM 1118 O ILE A 70 5.807 -1.348 -14.009 1.00 0.77 O -ATOM 1119 CB ILE A 70 3.457 -1.543 -11.641 1.00 0.55 C -ATOM 1120 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 0.51 C -ATOM 1121 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 0.66 C -ATOM 1122 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 0.54 C -ATOM 1123 H ILE A 70 5.168 -1.298 -9.748 1.00 0.40 H -ATOM 1124 HA ILE A 70 5.091 -2.850 -12.123 1.00 0.62 H -ATOM 1125 HB ILE A 70 3.322 -0.529 -11.290 1.00 0.53 H -ATOM 1126 HG12 ILE A 70 2.791 -3.500 -11.063 1.00 0.59 H -ATOM 1127 HG13 ILE A 70 3.542 -2.576 -9.761 1.00 0.48 H -ATOM 1128 HG21 ILE A 70 3.348 -2.305 -13.643 1.00 1.39 H -ATOM 1129 HG22 ILE A 70 1.795 -2.234 -12.810 1.00 1.07 H -ATOM 1130 HG23 ILE A 70 2.541 -0.755 -13.413 1.00 1.17 H -ATOM 1131 HD11 ILE A 70 1.473 -0.956 -10.207 1.00 1.13 H -ATOM 1132 HD12 ILE A 70 0.747 -2.446 -10.807 1.00 1.23 H -ATOM 1133 HD13 ILE A 70 1.327 -2.356 -9.143 1.00 1.10 H -ATOM 1134 N SER A 71 5.656 0.357 -12.637 1.00 0.63 N -ATOM 1135 CA SER A 71 6.208 1.267 -13.675 1.00 0.76 C -ATOM 1136 C SER A 71 7.569 0.733 -14.108 1.00 0.83 C -ATOM 1137 O SER A 71 7.858 0.612 -15.282 1.00 0.95 O -ATOM 1138 CB SER A 71 6.367 2.674 -13.096 1.00 0.74 C -ATOM 1139 OG SER A 71 5.650 2.763 -11.872 1.00 1.53 O -ATOM 1140 H SER A 71 5.416 0.701 -11.751 1.00 0.55 H -ATOM 1141 HA SER A 71 5.541 1.295 -14.525 1.00 0.83 H -ATOM 1142 HB2 SER A 71 7.410 2.872 -12.912 1.00 1.04 H -ATOM 1143 HB3 SER A 71 5.984 3.398 -13.804 1.00 1.03 H -ATOM 1144 HG SER A 71 6.131 3.354 -11.290 1.00 1.76 H -ATOM 1145 N TYR A 72 8.404 0.395 -13.164 1.00 0.77 N -ATOM 1146 CA TYR A 72 9.740 -0.152 -13.517 1.00 0.87 C -ATOM 1147 C TYR A 72 9.564 -1.398 -14.390 1.00 0.94 C -ATOM 1148 O TYR A 72 10.198 -1.543 -15.415 1.00 1.07 O -ATOM 1149 CB TYR A 72 10.492 -0.525 -12.239 1.00 0.83 C -ATOM 1150 CG TYR A 72 11.736 0.323 -12.119 1.00 1.09 C -ATOM 1151 CD1 TYR A 72 11.626 1.696 -11.868 1.00 1.68 C -ATOM 1152 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 1.74 C -ATOM 1153 CE1 TYR A 72 12.780 2.482 -11.757 1.00 2.03 C -ATOM 1154 CE2 TYR A 72 14.152 0.521 -12.148 1.00 1.99 C -ATOM 1155 CZ TYR A 72 14.043 1.894 -11.896 1.00 1.84 C -ATOM 1156 OH TYR A 72 15.182 2.668 -11.786 1.00 2.25 O -ATOM 1157 H TYR A 72 8.145 0.492 -12.222 1.00 0.68 H -ATOM 1158 HA TYR A 72 10.302 0.594 -14.062 1.00 0.96 H -ATOM 1159 HB2 TYR A 72 9.854 -0.352 -11.384 1.00 0.85 H -ATOM 1160 HB3 TYR A 72 10.770 -1.567 -12.276 1.00 0.87 H -ATOM 1161 HD1 TYR A 72 10.652 2.150 -11.760 1.00 2.29 H -ATOM 1162 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 2.42 H -ATOM 1163 HE1 TYR A 72 12.696 3.541 -11.563 1.00 2.78 H -ATOM 1164 HE2 TYR A 72 15.127 0.067 -12.256 1.00 2.69 H -ATOM 1165 HH TYR A 72 15.556 2.523 -10.914 1.00 2.43 H -ATOM 1166 N GLY A 73 8.699 -2.298 -13.994 1.00 0.88 N -ATOM 1167 CA GLY A 73 8.481 -3.528 -14.806 1.00 0.98 C -ATOM 1168 C GLY A 73 8.060 -3.130 -16.219 1.00 1.10 C -ATOM 1169 O GLY A 73 8.584 -3.624 -17.197 1.00 1.24 O -ATOM 1170 H GLY A 73 8.193 -2.164 -13.166 1.00 0.78 H -ATOM 1171 HA2 GLY A 73 9.397 -4.099 -14.848 1.00 1.05 H -ATOM 1172 HA3 GLY A 73 7.703 -4.125 -14.357 1.00 0.93 H -ATOM 1173 N ILE A 74 7.121 -2.230 -16.334 1.00 1.07 N -ATOM 1174 CA ILE A 74 6.678 -1.795 -17.690 1.00 1.22 C -ATOM 1175 C ILE A 74 7.891 -1.262 -18.459 1.00 1.34 C -ATOM 1176 O ILE A 74 8.114 -1.609 -19.600 1.00 1.50 O -ATOM 1177 CB ILE A 74 5.607 -0.702 -17.560 1.00 1.20 C -ATOM 1178 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 1.37 C -ATOM 1179 CG2 ILE A 74 5.525 0.112 -18.855 1.00 1.50 C -ATOM 1180 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 1.81 C -ATOM 1181 H ILE A 74 6.712 -1.840 -15.529 1.00 0.95 H -ATOM 1182 HA ILE A 74 6.264 -2.643 -18.218 1.00 1.29 H -ATOM 1183 HB ILE A 74 5.858 -0.045 -16.740 1.00 1.42 H -ATOM 1184 HG12 ILE A 74 3.476 -0.808 -17.814 1.00 1.68 H -ATOM 1185 HG13 ILE A 74 4.266 -2.376 -17.649 1.00 1.85 H -ATOM 1186 HG21 ILE A 74 5.698 -0.538 -19.700 1.00 1.93 H -ATOM 1187 HG22 ILE A 74 4.544 0.557 -18.940 1.00 1.99 H -ATOM 1188 HG23 ILE A 74 6.273 0.890 -18.840 1.00 1.84 H -ATOM 1189 HD11 ILE A 74 4.355 -0.444 -15.355 1.00 2.15 H -ATOM 1190 HD12 ILE A 74 2.890 -1.386 -15.633 1.00 2.28 H -ATOM 1191 HD13 ILE A 74 4.421 -2.206 -15.332 1.00 2.29 H -ATOM 1192 N ARG A 75 8.676 -0.423 -17.840 1.00 1.29 N -ATOM 1193 CA ARG A 75 9.878 0.131 -18.532 1.00 1.42 C -ATOM 1194 C ARG A 75 10.776 -1.015 -18.998 1.00 1.52 C -ATOM 1195 O ARG A 75 11.228 -1.035 -20.125 1.00 1.68 O -ATOM 1196 CB ARG A 75 10.658 1.040 -17.578 1.00 1.36 C -ATOM 1197 CG ARG A 75 11.623 1.914 -18.382 1.00 1.61 C -ATOM 1198 CD ARG A 75 13.054 1.412 -18.184 1.00 1.77 C -ATOM 1199 NE ARG A 75 13.332 1.263 -16.727 1.00 1.70 N -ATOM 1200 CZ ARG A 75 14.366 0.573 -16.328 1.00 2.10 C -ATOM 1201 NH1 ARG A 75 15.557 0.864 -16.776 1.00 2.69 N -ATOM 1202 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 2.54 N -ATOM 1203 H ARG A 75 8.476 -0.160 -16.917 1.00 1.17 H -ATOM 1204 HA ARG A 75 9.559 0.701 -19.396 1.00 1.53 H -ATOM 1205 HB2 ARG A 75 9.968 1.671 -17.035 1.00 1.77 H -ATOM 1206 HB3 ARG A 75 11.219 0.435 -16.881 1.00 1.52 H -ATOM 1207 HG2 ARG A 75 11.365 1.864 -19.430 1.00 2.02 H -ATOM 1208 HG3 ARG A 75 11.551 2.936 -18.041 1.00 2.12 H -ATOM 1209 HD2 ARG A 75 13.172 0.457 -18.673 1.00 2.20 H -ATOM 1210 HD3 ARG A 75 13.748 2.123 -18.611 1.00 2.01 H -ATOM 1211 HE ARG A 75 12.738 1.680 -16.070 1.00 1.66 H -ATOM 1212 HH11 ARG A 75 15.677 1.614 -17.426 1.00 3.04 H -ATOM 1213 HH12 ARG A 75 16.349 0.335 -16.471 1.00 3.11 H -ATOM 1214 HH21 ARG A 75 13.297 -0.628 -15.136 1.00 2.81 H -ATOM 1215 HH22 ARG A 75 15.002 -0.934 -15.174 1.00 2.97 H -ATOM 1216 N ARG A 76 11.039 -1.973 -18.150 1.00 1.43 N -ATOM 1217 CA ARG A 76 11.906 -3.104 -18.580 1.00 1.55 C -ATOM 1218 C ARG A 76 11.275 -3.729 -19.819 1.00 1.67 C -ATOM 1219 O ARG A 76 11.926 -3.948 -20.820 1.00 1.83 O -ATOM 1220 CB ARG A 76 11.991 -4.145 -17.460 1.00 1.45 C -ATOM 1221 CG ARG A 76 13.012 -5.220 -17.838 1.00 1.62 C -ATOM 1222 CD ARG A 76 13.707 -5.731 -16.573 1.00 1.72 C -ATOM 1223 NE ARG A 76 14.771 -6.708 -16.944 1.00 2.17 N -ATOM 1224 CZ ARG A 76 14.588 -7.531 -17.942 1.00 2.50 C -ATOM 1225 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 2.89 N -ATOM 1226 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 3.17 N -ATOM 1227 H ARG A 76 10.666 -1.950 -17.243 1.00 1.30 H -ATOM 1228 HA ARG A 76 12.894 -2.738 -18.818 1.00 1.63 H -ATOM 1229 HB2 ARG A 76 12.299 -3.662 -16.543 1.00 1.45 H -ATOM 1230 HB3 ARG A 76 11.024 -4.602 -17.319 1.00 1.41 H -ATOM 1231 HG2 ARG A 76 12.506 -6.040 -18.328 1.00 1.82 H -ATOM 1232 HG3 ARG A 76 13.748 -4.800 -18.506 1.00 2.06 H -ATOM 1233 HD2 ARG A 76 14.152 -4.900 -16.048 1.00 2.19 H -ATOM 1234 HD3 ARG A 76 12.981 -6.214 -15.935 1.00 2.00 H -ATOM 1235 HE ARG A 76 15.611 -6.733 -16.438 1.00 2.74 H -ATOM 1236 HH11 ARG A 76 13.523 -8.841 -16.865 1.00 3.01 H -ATOM 1237 HH12 ARG A 76 13.765 -9.259 -18.529 1.00 3.47 H -ATOM 1238 HH21 ARG A 76 15.610 -6.413 -19.253 1.00 3.47 H -ATOM 1239 HH22 ARG A 76 14.946 -7.885 -19.880 1.00 3.71 H -ATOM 1240 N LEU A 77 9.997 -3.976 -19.771 1.00 1.62 N -ATOM 1241 CA LEU A 77 9.304 -4.538 -20.959 1.00 1.76 C -ATOM 1242 C LEU A 77 9.532 -3.582 -22.129 1.00 1.92 C -ATOM 1243 O LEU A 77 9.858 -3.993 -23.223 1.00 2.09 O -ATOM 1244 CB LEU A 77 7.806 -4.653 -20.673 1.00 1.69 C -ATOM 1245 CG LEU A 77 7.473 -6.083 -20.247 1.00 1.72 C -ATOM 1246 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 1.72 C -ATOM 1247 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 2.01 C -ATOM 1248 H LEU A 77 9.486 -3.761 -18.963 1.00 1.49 H -ATOM 1249 HA LEU A 77 9.710 -5.510 -21.195 1.00 1.83 H -ATOM 1250 HB2 LEU A 77 7.537 -3.969 -19.881 1.00 1.59 H -ATOM 1251 HB3 LEU A 77 7.249 -4.407 -21.565 1.00 1.80 H -ATOM 1252 HG LEU A 77 8.251 -6.454 -19.594 1.00 1.71 H -ATOM 1253 HD11 LEU A 77 5.630 -5.153 -19.660 1.00 1.99 H -ATOM 1254 HD12 LEU A 77 5.521 -6.900 -19.882 1.00 2.11 H -ATOM 1255 HD13 LEU A 77 6.311 -6.240 -18.449 1.00 1.93 H -ATOM 1256 HD21 LEU A 77 8.122 -6.669 -22.208 1.00 2.56 H -ATOM 1257 HD22 LEU A 77 7.546 -8.001 -21.207 1.00 2.23 H -ATOM 1258 HD23 LEU A 77 6.393 -6.876 -21.925 1.00 2.13 H -ATOM 1259 N ILE A 78 9.346 -2.306 -21.877 1.00 1.89 N -ATOM 1260 CA ILE A 78 9.524 -1.246 -22.916 1.00 2.07 C -ATOM 1261 C ILE A 78 8.176 -0.941 -23.564 1.00 2.17 C -ATOM 1262 O ILE A 78 7.685 -1.678 -24.395 1.00 2.50 O -ATOM 1263 CB ILE A 78 10.538 -1.679 -23.975 1.00 2.14 C -ATOM 1264 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 2.13 C -ATOM 1265 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 2.25 C -ATOM 1266 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 2.38 C -ATOM 1267 H ILE A 78 9.078 -2.040 -20.976 1.00 1.77 H -ATOM 1268 HA ILE A 78 9.885 -0.348 -22.433 1.00 2.26 H -ATOM 1269 HB ILE A 78 10.139 -2.498 -24.549 1.00 2.30 H -ATOM 1270 HG12 ILE A 78 12.595 -1.363 -23.453 1.00 2.27 H -ATOM 1271 HG13 ILE A 78 11.651 -2.190 -22.212 1.00 2.04 H -ATOM 1272 HG21 ILE A 78 10.468 0.412 -24.455 1.00 2.53 H -ATOM 1273 HG22 ILE A 78 11.895 -0.425 -25.067 1.00 2.38 H -ATOM 1274 HG23 ILE A 78 10.332 -0.656 -25.851 1.00 2.56 H -ATOM 1275 HD11 ILE A 78 11.693 -3.722 -24.683 1.00 2.64 H -ATOM 1276 HD12 ILE A 78 13.331 -3.392 -24.117 1.00 2.66 H -ATOM 1277 HD13 ILE A 78 12.181 -4.213 -23.061 1.00 2.72 H -ATOM 1278 N LYS A 79 7.572 0.147 -23.170 1.00 2.25 N -ATOM 1279 CA LYS A 79 6.247 0.522 -23.735 1.00 2.60 C -ATOM 1280 C LYS A 79 6.445 1.288 -25.045 1.00 2.97 C -ATOM 1281 O LYS A 79 7.143 2.281 -25.094 1.00 3.27 O -ATOM 1282 CB LYS A 79 5.505 1.407 -22.730 1.00 2.80 C -ATOM 1283 CG LYS A 79 3.998 1.172 -22.853 1.00 3.38 C -ATOM 1284 CD LYS A 79 3.248 2.201 -22.003 1.00 3.94 C -ATOM 1285 CE LYS A 79 2.282 2.990 -22.891 1.00 4.56 C -ATOM 1286 NZ LYS A 79 1.757 4.161 -22.134 1.00 5.22 N -ATOM 1287 H LYS A 79 7.993 0.717 -22.493 1.00 2.32 H -ATOM 1288 HA LYS A 79 5.669 -0.371 -23.923 1.00 2.72 H -ATOM 1289 HB2 LYS A 79 5.829 1.162 -21.726 1.00 2.65 H -ATOM 1290 HB3 LYS A 79 5.723 2.445 -22.934 1.00 3.01 H -ATOM 1291 HG2 LYS A 79 3.702 1.271 -23.886 1.00 3.67 H -ATOM 1292 HG3 LYS A 79 3.760 0.178 -22.503 1.00 3.67 H -ATOM 1293 HD2 LYS A 79 2.693 1.693 -21.228 1.00 4.28 H -ATOM 1294 HD3 LYS A 79 3.956 2.880 -21.553 1.00 4.08 H -ATOM 1295 HE2 LYS A 79 2.803 3.334 -23.771 1.00 4.79 H -ATOM 1296 HE3 LYS A 79 1.461 2.353 -23.183 1.00 4.75 H -ATOM 1297 HZ1 LYS A 79 2.549 4.760 -21.827 1.00 5.33 H -ATOM 1298 HZ2 LYS A 79 1.124 4.714 -22.746 1.00 5.57 H -ATOM 1299 HZ3 LYS A 79 1.230 3.827 -21.301 1.00 5.57 H -ATOM 1300 N LYS A 80 5.839 0.828 -26.107 1.00 3.27 N -ATOM 1301 CA LYS A 80 5.992 1.524 -27.419 1.00 3.83 C -ATOM 1302 C LYS A 80 7.450 1.434 -27.874 1.00 4.00 C -ATOM 1303 O LYS A 80 7.894 2.347 -28.552 1.00 4.36 O -ATOM 1304 CB LYS A 80 5.593 3.000 -27.279 1.00 4.43 C -ATOM 1305 CG LYS A 80 4.118 3.112 -26.883 1.00 5.03 C -ATOM 1306 CD LYS A 80 3.235 2.626 -28.036 1.00 5.77 C -ATOM 1307 CE LYS A 80 1.930 2.054 -27.477 1.00 6.68 C -ATOM 1308 NZ LYS A 80 1.045 3.172 -27.041 1.00 7.38 N -ATOM 1309 OXT LYS A 80 8.096 0.455 -27.539 1.00 4.28 O -ATOM 1310 H LYS A 80 5.287 0.019 -26.042 1.00 3.31 H -ATOM 1311 HA LYS A 80 5.359 1.049 -28.154 1.00 4.17 H -ATOM 1312 HB2 LYS A 80 6.206 3.467 -26.523 1.00 4.57 H -ATOM 1313 HB3 LYS A 80 5.747 3.502 -28.223 1.00 4.74 H -ATOM 1314 HG2 LYS A 80 3.930 2.510 -26.006 1.00 5.27 H -ATOM 1315 HG3 LYS A 80 3.882 4.143 -26.666 1.00 5.11 H -ATOM 1316 HD2 LYS A 80 3.014 3.455 -28.693 1.00 5.83 H -ATOM 1317 HD3 LYS A 80 3.754 1.858 -28.589 1.00 5.97 H -ATOM 1318 HE2 LYS A 80 1.432 1.480 -28.244 1.00 6.97 H -ATOM 1319 HE3 LYS A 80 2.149 1.417 -26.633 1.00 6.87 H -ATOM 1320 HZ1 LYS A 80 1.552 4.074 -27.134 1.00 7.46 H -ATOM 1321 HZ2 LYS A 80 0.192 3.188 -27.637 1.00 7.83 H -ATOM 1322 HZ3 LYS A 80 0.772 3.030 -26.048 1.00 7.60 H +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 18.74 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 18.11 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 17.30 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 17.26 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 18.42 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 18.58 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 18.59 C +ATOM 8 H1 VAL A 1 13.066 16.970 1.016 1.00 18.63 H +ATOM 9 H2 VAL A 1 12.320 16.071 -0.218 1.00 19.07 H +ATOM 10 H3 VAL A 1 11.499 17.370 0.499 1.00 19.08 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 18.15 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 18.56 H +ATOM 13 HG11 VAL A 1 14.041 15.107 1.752 1.00 18.56 H +ATOM 14 HG12 VAL A 1 14.050 13.354 1.557 1.00 18.83 H +ATOM 15 HG13 VAL A 1 13.820 14.397 0.153 1.00 18.58 H +ATOM 16 HG21 VAL A 1 10.757 13.506 2.932 1.00 18.63 H +ATOM 17 HG22 VAL A 1 11.938 12.323 2.372 1.00 18.86 H +ATOM 18 HG23 VAL A 1 12.436 13.621 3.457 1.00 18.54 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 16.78 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 16.11 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 15.69 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 15.68 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 16.10 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 15.49 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 15.09 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 15.39 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 14.56 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 16.93 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 16.10 H +ATOM 30 HB2 GLN A 2 12.118 19.447 4.404 1.00 16.14 H +ATOM 31 HB3 GLN A 2 10.444 19.246 4.920 1.00 16.63 H +ATOM 32 HG2 GLN A 2 11.997 20.559 6.499 1.00 15.60 H +ATOM 33 HG3 GLN A 2 11.035 19.270 7.221 1.00 15.40 H +ATOM 34 HE21 GLN A 2 12.192 17.748 8.419 1.00 14.40 H +ATOM 35 HE22 GLN A 2 13.868 17.501 8.313 1.00 14.42 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 15.49 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 15.26 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 14.77 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 14.94 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 15.58 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 15.97 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 16.71 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 16.05 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 15.59 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 15.38 H +ATOM 46 HB2 LEU A 3 11.006 14.353 7.407 1.00 15.74 H +ATOM 47 HB3 LEU A 3 9.798 14.615 8.666 1.00 15.55 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 15.84 H +ATOM 49 HD11 LEU A 3 11.219 12.297 6.318 1.00 16.93 H +ATOM 50 HD12 LEU A 3 9.924 11.099 6.301 1.00 16.80 H +ATOM 51 HD13 LEU A 3 9.724 12.628 5.443 1.00 17.03 H +ATOM 52 HD21 LEU A 3 9.809 12.598 9.699 1.00 16.08 H +ATOM 53 HD22 LEU A 3 9.612 11.061 8.856 1.00 15.96 H +ATOM 54 HD23 LEU A 3 11.139 11.939 8.745 1.00 16.30 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 14.32 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 14.03 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 13.34 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 13.29 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 14.31 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 14.30 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 14.29 H +ATOM 62 HB1 ALA A 4 5.481 16.332 7.735 1.00 14.32 H +ATOM 63 HB2 ALA A 4 4.726 16.690 9.287 1.00 14.34 H +ATOM 64 HB3 ALA A 4 5.478 17.983 8.353 1.00 14.64 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 12.98 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 12.48 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 11.62 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 11.76 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 12.81 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 13.36 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 13.57 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 13.93 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 14.23 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 14.47 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 13.15 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 12.71 H +ATOM 77 HB2 HIS A 5 6.718 12.902 11.541 1.00 13.05 H +ATOM 78 HB3 HIS A 5 6.612 12.797 13.298 1.00 12.61 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 13.40 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 14.07 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 14.63 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 10.90 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 10.21 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 9.43 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 9.32 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 10.37 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 10.53 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 10.58 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 10.88 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 10.97 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 11.15 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 10.94 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 10.38 H +ATOM 94 HB2 HIS A 6 10.510 15.350 14.316 1.00 10.69 H +ATOM 95 HB3 HIS A 6 11.169 14.900 15.889 1.00 10.30 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 10.50 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 11.09 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 11.25 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 9.11 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 8.55 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 7.46 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 7.39 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 8.98 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 9.76 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 10.29 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 10.19 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 11.19 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 11.10 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 11.57 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 9.39 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 8.86 H +ATOM 112 HB2 PHE A 7 7.868 15.358 18.619 1.00 9.18 H +ATOM 113 HB3 PHE A 7 7.640 14.399 20.081 1.00 8.77 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 10.16 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 9.98 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 11.72 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 11.57 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 12.35 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 6.86 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 6.01 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 5.07 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 5.28 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 6.54 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 7.08 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 7.15 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 6.02 H +ATOM 127 HB2 SER A 8 5.243 10.099 20.834 1.00 6.79 H +ATOM 128 HB3 SER A 8 5.897 11.728 20.968 1.00 6.61 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 7.42 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 4.41 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 3.84 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 2.84 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 3.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 4.55 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 5.41 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 6.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 6.49 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 6.28 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 4.61 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 4.12 H +ATOM 141 HB2 GLU A 9 6.228 5.717 18.385 1.00 4.86 H +ATOM 142 HB3 GLU A 9 6.813 5.694 16.722 1.00 4.60 H +ATOM 143 HG2 GLU A 9 8.680 7.302 17.746 1.00 5.70 H +ATOM 144 HG3 GLU A 9 8.253 6.447 19.228 1.00 5.72 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 2.18 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 1.51 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 1.23 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 1.13 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 1.87 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 2.49 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 2.65 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 1.77 H +ATOM 153 HB2 PRO A 10 2.338 9.126 13.888 1.00 2.10 H +ATOM 154 HB3 PRO A 10 1.972 10.228 15.221 1.00 2.10 H +ATOM 155 HG2 PRO A 10 4.405 10.080 13.670 1.00 3.08 H +ATOM 156 HG3 PRO A 10 4.020 11.198 14.984 1.00 2.65 H +ATOM 157 HD2 PRO A 10 5.850 8.981 15.049 1.00 3.25 H +ATOM 158 HD3 PRO A 10 5.426 10.077 16.380 1.00 2.87 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 1.29 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 1.13 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 1.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.97 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 1.32 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 1.94 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 2.47 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 2.89 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 3.01 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 1.55 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 1.09 H +ATOM 170 HB2 GLU A 11 -0.348 4.785 16.531 1.00 1.69 H +ATOM 171 HB3 GLU A 11 -0.024 3.275 15.679 1.00 1.69 H +ATOM 172 HG2 GLU A 11 0.828 2.614 17.688 1.00 2.39 H +ATOM 173 HG3 GLU A 11 2.251 3.513 17.160 1.00 2.45 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 0.99 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 0.91 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 0.80 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 0.74 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 1.03 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 1.05 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 1.28 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 1.48 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 1.08 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 0.89 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 1.22 H +ATOM 185 HG12 ILE A 12 -3.166 8.653 11.564 1.00 1.37 H +ATOM 186 HG13 ILE A 12 -2.190 7.468 10.695 1.00 1.18 H +ATOM 187 HG21 ILE A 12 -0.262 8.757 13.707 1.00 1.67 H +ATOM 188 HG22 ILE A 12 -0.514 9.090 11.993 1.00 1.67 H +ATOM 189 HG23 ILE A 12 -1.677 9.673 13.185 1.00 1.72 H +ATOM 190 HD11 ILE A 12 -3.597 5.942 12.550 1.00 1.86 H +ATOM 191 HD12 ILE A 12 -4.780 7.127 11.993 1.00 2.05 H +ATOM 192 HD13 ILE A 12 -3.965 6.080 10.831 1.00 1.87 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 0.81 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 0.76 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 0.68 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 0.62 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 0.86 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 1.35 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 1.19 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 0.89 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 0.74 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 1.13 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 1.84 H +ATOM 204 HG21 THR A 13 1.589 10.024 12.390 1.00 1.65 H +ATOM 205 HG22 THR A 13 3.163 10.814 12.479 1.00 1.61 H +ATOM 206 HG23 THR A 13 2.254 10.827 10.968 1.00 1.72 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 0.72 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 0.69 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 0.58 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 0.50 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 0.82 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 0.88 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 0.87 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 1.02 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 0.80 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 0.67 H +ATOM 217 HB2 LEU A 14 4.844 4.522 12.553 1.00 1.22 H +ATOM 218 HB3 LEU A 14 3.742 3.198 12.178 1.00 0.83 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 1.30 H +ATOM 220 HD11 LEU A 14 5.565 2.209 13.303 1.00 1.27 H +ATOM 221 HD12 LEU A 14 5.611 0.976 12.042 1.00 1.28 H +ATOM 222 HD13 LEU A 14 7.081 1.847 12.477 1.00 1.34 H +ATOM 223 HD21 LEU A 14 4.341 1.893 10.050 1.00 1.44 H +ATOM 224 HD22 LEU A 14 5.379 3.024 9.183 1.00 1.64 H +ATOM 225 HD23 LEU A 14 6.043 1.509 9.793 1.00 1.43 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 0.62 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 0.57 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 0.45 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 0.38 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 0.69 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 0.91 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 0.76 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 1.10 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 0.71 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 0.58 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 0.63 H +ATOM 237 HG12 ILE A 15 -0.165 0.830 11.538 1.00 0.92 H +ATOM 238 HG13 ILE A 15 0.636 2.256 12.200 1.00 0.98 H +ATOM 239 HG21 ILE A 15 -1.137 0.950 9.248 1.00 1.24 H +ATOM 240 HG22 ILE A 15 -2.422 1.676 10.214 1.00 1.27 H +ATOM 241 HG23 ILE A 15 -1.853 2.485 8.754 1.00 1.35 H +ATOM 242 HD11 ILE A 15 -2.373 2.041 12.129 1.00 1.66 H +ATOM 243 HD12 ILE A 15 -1.436 1.369 13.463 1.00 1.56 H +ATOM 244 HD13 ILE A 15 -1.372 3.098 13.125 1.00 1.37 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 0.44 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 0.36 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 0.28 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 0.25 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 0.39 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 1.21 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 1.18 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 1.58 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 0.50 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 0.38 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 0.83 H +ATOM 256 HG12 ILE A 16 -2.240 6.820 7.256 1.00 1.92 H +ATOM 257 HG13 ILE A 16 -1.500 6.481 8.821 1.00 1.86 H +ATOM 258 HG21 ILE A 16 0.152 6.928 5.112 1.00 1.76 H +ATOM 259 HG22 ILE A 16 -1.022 8.082 5.744 1.00 1.82 H +ATOM 260 HG23 ILE A 16 0.704 8.377 5.952 1.00 1.61 H +ATOM 261 HD11 ILE A 16 -1.346 9.181 7.458 1.00 2.05 H +ATOM 262 HD12 ILE A 16 -2.579 8.761 8.649 1.00 2.07 H +ATOM 263 HD13 ILE A 16 -0.877 8.789 9.112 1.00 2.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 0.31 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 0.32 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 0.30 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 0.30 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 0.41 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 0.80 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 1.52 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 1.66 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 1.97 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 2.09 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 1.95 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 0.36 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 0.32 H +ATOM 277 HB2 PHE A 17 4.737 5.017 7.757 1.00 0.65 H +ATOM 278 HB3 PHE A 17 5.792 4.796 6.363 1.00 0.64 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 2.18 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 2.34 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 2.73 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 2.89 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 2.41 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 0.31 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 0.32 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 0.26 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 0.26 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 0.34 H +ATOM 289 HA2 GLY A 18 4.506 1.112 5.208 1.00 0.36 H +ATOM 290 HA3 GLY A 18 3.198 0.670 6.309 1.00 0.35 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 0.23 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 0.22 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 0.21 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 0.22 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 0.24 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 0.28 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 0.28 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 0.24 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 0.24 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 0.25 H +ATOM 301 HG11 VAL A 19 -1.442 1.985 1.761 1.00 1.07 H +ATOM 302 HG12 VAL A 19 -2.756 1.752 2.914 1.00 1.05 H +ATOM 303 HG13 VAL A 19 -2.283 3.383 2.434 1.00 1.05 H +ATOM 304 HG21 VAL A 19 -0.732 1.187 5.532 1.00 1.03 H +ATOM 305 HG22 VAL A 19 -1.945 2.458 5.681 1.00 1.10 H +ATOM 306 HG23 VAL A 19 -2.277 1.034 4.696 1.00 1.03 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 0.22 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 0.25 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 0.27 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 0.28 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 0.29 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 0.36 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 1.07 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 1.70 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 0.22 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 0.26 H +ATOM 317 HB2 MET A 20 3.355 5.424 2.699 1.00 0.33 H +ATOM 318 HB3 MET A 20 3.435 6.068 1.058 1.00 0.34 H +ATOM 319 HG2 MET A 20 0.835 6.461 1.463 1.00 0.70 H +ATOM 320 HG3 MET A 20 1.337 6.469 3.153 1.00 0.72 H +ATOM 321 HE1 MET A 20 -0.050 8.308 1.356 1.00 2.15 H +ATOM 322 HE2 MET A 20 0.362 9.709 2.341 1.00 2.21 H +ATOM 323 HE3 MET A 20 0.802 9.681 0.636 1.00 2.23 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 0.28 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 0.32 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 0.30 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 0.30 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 0.37 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 0.29 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 0.34 H +ATOM 331 HB1 ALA A 21 5.474 1.551 3.017 1.00 1.10 H +ATOM 332 HB2 ALA A 21 6.213 0.395 1.905 1.00 1.10 H +ATOM 333 HB3 ALA A 21 6.963 1.968 2.173 1.00 1.06 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 0.28 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 0.27 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 0.23 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 0.23 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 0.28 H +ATOM 339 HA2 GLY A 22 3.753 -1.610 -0.492 1.00 0.30 H +ATOM 340 HA3 GLY A 22 2.148 -1.252 0.152 1.00 0.28 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 0.21 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 0.19 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 0.20 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 0.19 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 0.22 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 0.28 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 0.27 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 0.21 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 0.19 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 0.26 H +ATOM 351 HG11 VAL A 23 0.275 2.913 -4.723 1.00 1.04 H +ATOM 352 HG12 VAL A 23 -0.217 4.334 -3.801 1.00 1.03 H +ATOM 353 HG13 VAL A 23 1.481 4.096 -4.217 1.00 1.04 H +ATOM 354 HG21 VAL A 23 -0.764 1.461 -2.019 1.00 1.09 H +ATOM 355 HG22 VAL A 23 -0.588 2.873 -0.977 1.00 1.03 H +ATOM 356 HG23 VAL A 23 -1.362 3.031 -2.553 1.00 1.03 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 0.23 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 0.27 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 0.27 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 0.28 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 0.33 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 0.67 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 0.75 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 1.20 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 0.25 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 0.28 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 0.41 H +ATOM 368 HG12 ILE A 24 4.509 4.370 -2.029 1.00 1.29 H +ATOM 369 HG13 ILE A 24 6.149 4.854 -1.595 1.00 1.22 H +ATOM 370 HG21 ILE A 24 7.077 3.642 -4.886 1.00 1.13 H +ATOM 371 HG22 ILE A 24 7.715 4.537 -3.507 1.00 1.25 H +ATOM 372 HG23 ILE A 24 8.052 2.814 -3.671 1.00 1.43 H +ATOM 373 HD11 ILE A 24 5.255 5.230 -4.428 1.00 1.91 H +ATOM 374 HD12 ILE A 24 4.680 6.365 -3.206 1.00 1.60 H +ATOM 375 HD13 ILE A 24 6.411 6.171 -3.484 1.00 1.67 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 0.29 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 0.33 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 0.30 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 0.33 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 0.30 H +ATOM 381 HA2 GLY A 25 7.208 -0.780 -4.746 1.00 0.38 H +ATOM 382 HA3 GLY A 25 6.145 -1.716 -3.692 1.00 0.37 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 0.25 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 0.25 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 0.26 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 0.32 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 0.24 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 0.34 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 0.31 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 0.24 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 0.31 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 0.22 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 0.40 H +ATOM 394 HG21 THR A 26 1.315 -1.690 -8.351 1.00 1.10 H +ATOM 395 HG22 THR A 26 0.581 -2.963 -7.376 1.00 0.98 H +ATOM 396 HG23 THR A 26 -0.119 -1.345 -7.384 1.00 1.03 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 0.24 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 0.33 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 0.39 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 0.47 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 0.37 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 0.39 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 0.47 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 0.49 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 0.22 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 0.38 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 0.37 H +ATOM 408 HG12 ILE A 27 1.872 3.224 -8.418 1.00 0.46 H +ATOM 409 HG13 ILE A 27 2.295 2.707 -6.786 1.00 0.38 H +ATOM 410 HG21 ILE A 27 4.531 3.303 -10.146 1.00 1.04 H +ATOM 411 HG22 ILE A 27 3.742 4.645 -9.316 1.00 1.19 H +ATOM 412 HG23 ILE A 27 5.416 4.237 -8.940 1.00 1.15 H +ATOM 413 HD11 ILE A 27 3.657 5.012 -6.827 1.00 1.14 H +ATOM 414 HD12 ILE A 27 2.410 5.429 -8.002 1.00 1.07 H +ATOM 415 HD13 ILE A 27 1.956 4.947 -6.367 1.00 1.21 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 0.39 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 0.49 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 0.53 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 0.62 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 0.53 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 0.59 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 0.68 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 0.65 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 0.34 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 0.55 H +ATOM 426 HB2 LEU A 28 9.271 0.916 -7.976 1.00 0.60 H +ATOM 427 HB3 LEU A 28 7.975 0.190 -7.035 1.00 0.54 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 0.61 H +ATOM 429 HD11 LEU A 28 9.660 -0.862 -10.178 1.00 1.18 H +ATOM 430 HD12 LEU A 28 10.972 -0.508 -9.054 1.00 1.37 H +ATOM 431 HD13 LEU A 28 10.567 -2.181 -9.439 1.00 1.06 H +ATOM 432 HD21 LEU A 28 9.859 -0.724 -6.142 1.00 1.31 H +ATOM 433 HD22 LEU A 28 9.482 -2.432 -6.370 1.00 1.06 H +ATOM 434 HD23 LEU A 28 10.962 -1.756 -7.050 1.00 1.25 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 0.49 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 0.57 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 0.60 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 0.71 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 0.56 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 1.24 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 1.76 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 1.92 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 0.44 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 0.65 H +ATOM 445 HB2 LEU A 29 5.866 -4.145 -8.630 1.00 0.97 H +ATOM 446 HB3 LEU A 29 4.486 -3.598 -9.585 1.00 0.94 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 1.94 H +ATOM 448 HD11 LEU A 29 7.605 -5.429 -10.191 1.00 2.23 H +ATOM 449 HD12 LEU A 29 6.736 -6.484 -9.077 1.00 2.17 H +ATOM 450 HD13 LEU A 29 6.862 -6.915 -10.783 1.00 2.19 H +ATOM 451 HD21 LEU A 29 3.954 -5.820 -8.931 1.00 2.33 H +ATOM 452 HD22 LEU A 29 3.459 -6.056 -10.607 1.00 2.54 H +ATOM 453 HD23 LEU A 29 4.558 -7.204 -9.842 1.00 2.27 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 0.55 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 0.65 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 0.75 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 0.87 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 0.63 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 0.58 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 0.75 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 0.66 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 0.47 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 0.70 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 0.62 H +ATOM 465 HG12 ILE A 30 1.291 -1.734 -12.162 1.00 0.65 H +ATOM 466 HG13 ILE A 30 2.403 -1.595 -10.800 1.00 0.53 H +ATOM 467 HG21 ILE A 30 2.917 0.172 -14.559 1.00 1.21 H +ATOM 468 HG22 ILE A 30 1.405 -0.548 -14.005 1.00 1.08 H +ATOM 469 HG23 ILE A 30 1.794 1.121 -13.584 1.00 1.31 H +ATOM 470 HD11 ILE A 30 1.321 0.984 -11.174 1.00 0.98 H +ATOM 471 HD12 ILE A 30 -0.038 -0.132 -11.300 1.00 1.16 H +ATOM 472 HD13 ILE A 30 0.973 -0.135 -9.856 1.00 1.31 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 0.73 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 0.87 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 0.94 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 1.07 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 0.86 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 1.29 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 0.65 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 0.95 H +ATOM 481 HB2 SER A 31 8.229 1.269 -12.553 1.00 1.00 H +ATOM 482 HB3 SER A 31 8.389 2.364 -13.923 1.00 1.28 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 1.40 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 0.89 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 1.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 1.05 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 1.18 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 0.96 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 1.27 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 1.62 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 2.13 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 1.95 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 2.53 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 2.15 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 2.64 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 0.80 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 1.09 H +ATOM 498 HB2 TYR A 32 8.905 -2.978 -12.755 1.00 0.96 H +ATOM 499 HB3 TYR A 32 9.236 -4.144 -14.037 1.00 1.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 2.19 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 2.77 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 2.53 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 3.38 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 2.82 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.97 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 1.05 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 1.16 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 1.29 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.88 H +ATOM 510 HA2 GLY A 33 6.606 -4.793 -16.846 1.00 1.11 H +ATOM 511 HA3 GLY A 33 5.165 -4.072 -16.126 1.00 0.99 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 1.14 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 1.29 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 1.41 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 1.55 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 1.28 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 1.74 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 1.77 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 2.19 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 1.05 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 1.35 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 1.42 H +ATOM 523 HG12 ILE A 34 3.899 2.292 -18.745 1.00 2.09 H +ATOM 524 HG13 ILE A 34 4.427 1.254 -20.069 1.00 2.18 H +ATOM 525 HG21 ILE A 34 7.171 1.113 -17.556 1.00 2.04 H +ATOM 526 HG22 ILE A 34 6.717 1.744 -19.137 1.00 2.31 H +ATOM 527 HG23 ILE A 34 6.118 2.520 -17.671 1.00 2.25 H +ATOM 528 HD11 ILE A 34 2.915 -0.321 -18.200 1.00 2.56 H +ATOM 529 HD12 ILE A 34 1.983 1.114 -18.628 1.00 2.60 H +ATOM 530 HD13 ILE A 34 2.553 0.024 -19.892 1.00 2.54 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 1.37 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 1.51 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 1.58 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 1.73 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 1.46 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 1.73 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 2.03 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 2.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 2.45 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 2.76 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 3.14 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 1.27 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 1.61 H +ATOM 544 HB2 ARG A 35 10.316 -1.370 -17.915 1.00 1.77 H +ATOM 545 HB3 ARG A 35 11.321 -0.591 -19.138 1.00 1.58 H +ATOM 546 HG2 ARG A 35 9.715 1.487 -18.346 1.00 2.15 H +ATOM 547 HG3 ARG A 35 9.907 0.593 -16.837 1.00 2.19 H +ATOM 548 HD2 ARG A 35 12.160 1.549 -18.628 1.00 2.45 H +ATOM 549 HD3 ARG A 35 11.701 2.257 -17.081 1.00 2.48 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 2.02 H +ATOM 551 HH11 ARG A 35 13.904 1.948 -15.585 1.00 2.90 H +ATOM 552 HH12 ARG A 35 15.459 1.481 -16.185 1.00 3.21 H +ATOM 553 HH21 ARG A 35 14.201 -0.940 -18.325 1.00 3.41 H +ATOM 554 HH22 ARG A 35 15.628 -0.153 -17.738 1.00 3.66 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 1.50 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 1.59 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 1.69 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 1.84 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 1.50 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 1.77 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 2.23 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 2.70 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 3.07 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 3.56 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 3.58 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 1.38 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 1.68 H +ATOM 568 HB2 ARG A 36 9.201 -5.395 -18.881 1.00 1.51 H +ATOM 569 HB3 ARG A 36 7.629 -5.391 -19.682 1.00 1.60 H +ATOM 570 HG2 ARG A 36 9.746 -6.515 -21.364 1.00 2.13 H +ATOM 571 HG3 ARG A 36 9.520 -7.413 -19.861 1.00 1.96 H +ATOM 572 HD2 ARG A 36 7.206 -6.617 -21.637 1.00 2.56 H +ATOM 573 HD3 ARG A 36 8.059 -8.148 -21.823 1.00 2.57 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 3.18 H +ATOM 575 HH11 ARG A 36 8.773 -9.650 -20.131 1.00 3.68 H +ATOM 576 HH12 ARG A 36 8.959 -9.837 -18.419 1.00 4.16 H +ATOM 577 HH21 ARG A 36 6.506 -7.516 -17.631 1.00 3.74 H +ATOM 578 HH22 ARG A 36 7.675 -8.628 -17.003 1.00 4.16 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 1.64 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 1.75 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 1.91 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 2.05 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 1.69 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 2.11 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 2.66 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 2.38 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 1.52 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 1.80 H +ATOM 589 HB2 LEU A 37 4.833 -2.685 -21.344 1.00 1.91 H +ATOM 590 HB3 LEU A 37 4.580 -1.987 -22.944 1.00 1.94 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 2.63 H +ATOM 592 HD11 LEU A 37 2.557 -2.551 -21.346 1.00 2.82 H +ATOM 593 HD12 LEU A 37 1.525 -3.666 -22.241 1.00 3.15 H +ATOM 594 HD13 LEU A 37 2.474 -4.248 -20.873 1.00 3.10 H +ATOM 595 HD21 LEU A 37 3.385 -2.769 -24.471 1.00 2.77 H +ATOM 596 HD22 LEU A 37 3.647 -4.497 -24.707 1.00 2.87 H +ATOM 597 HD23 LEU A 37 2.081 -3.911 -24.147 1.00 2.45 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 1.90 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 2.06 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 2.14 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 2.20 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 2.05 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 1.98 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 2.03 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 2.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 1.79 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 2.15 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 2.14 H +ATOM 609 HG12 ILE A 38 7.496 0.763 -21.853 1.00 2.00 H +ATOM 610 HG13 ILE A 38 8.980 -0.053 -22.340 1.00 2.02 H +ATOM 611 HG21 ILE A 38 6.040 1.194 -24.978 1.00 2.39 H +ATOM 612 HG22 ILE A 38 5.890 1.051 -23.227 1.00 2.15 H +ATOM 613 HG23 ILE A 38 6.553 2.522 -23.938 1.00 2.23 H +ATOM 614 HD11 ILE A 38 9.566 2.483 -23.100 1.00 2.36 H +ATOM 615 HD12 ILE A 38 8.511 2.809 -21.723 1.00 2.19 H +ATOM 616 HD13 ILE A 38 9.966 1.835 -21.509 1.00 2.20 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 2.35 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 2.45 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 2.85 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 3.21 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 2.30 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 2.60 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 2.94 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 3.56 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 3.91 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 2.55 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 2.58 H +ATOM 628 HB2 LYS A 39 11.275 -2.020 -23.017 1.00 2.10 H +ATOM 629 HB3 LYS A 39 12.152 -2.813 -24.327 1.00 2.50 H +ATOM 630 HG2 LYS A 39 13.918 -2.539 -22.887 1.00 2.77 H +ATOM 631 HG3 LYS A 39 13.980 -0.952 -23.654 1.00 3.02 H +ATOM 632 HD2 LYS A 39 12.042 -0.791 -21.583 1.00 3.26 H +ATOM 633 HD3 LYS A 39 13.464 -1.583 -20.900 1.00 3.12 H +ATOM 634 HE2 LYS A 39 14.020 0.753 -22.635 1.00 3.96 H +ATOM 635 HE3 LYS A 39 13.214 1.114 -21.109 1.00 3.92 H +ATOM 636 HZ1 LYS A 39 15.127 -0.677 -20.410 1.00 4.13 H +ATOM 637 HZ2 LYS A 39 15.907 0.253 -21.594 1.00 4.14 H +ATOM 638 HZ3 LYS A 39 15.239 1.008 -20.226 1.00 4.20 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 3.09 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 3.63 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 4.10 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 4.56 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 3.99 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 4.58 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 5.25 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 6.09 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 6.53 N +ATOM 648 OXT LYS A 40 12.929 0.132 -28.372 1.00 4.44 O +ATOM 649 H LYS A 40 13.719 -1.795 -25.860 1.00 3.09 H +ATOM 650 HA LYS A 40 14.134 -2.672 -28.002 1.00 3.93 H +ATOM 651 HB2 LYS A 40 11.829 -3.770 -27.438 1.00 4.02 H +ATOM 652 HB3 LYS A 40 11.182 -2.586 -28.575 1.00 4.35 H +ATOM 653 HG2 LYS A 40 13.343 -3.542 -29.961 1.00 5.09 H +ATOM 654 HG3 LYS A 40 12.820 -4.984 -29.090 1.00 4.47 H +ATOM 655 HD2 LYS A 40 10.689 -4.962 -30.080 1.00 5.25 H +ATOM 656 HD3 LYS A 40 10.815 -3.263 -30.534 1.00 5.52 H +ATOM 657 HE2 LYS A 40 11.085 -4.746 -32.500 1.00 6.55 H +ATOM 658 HE3 LYS A 40 12.549 -3.814 -32.186 1.00 6.28 H +ATOM 659 HZ1 LYS A 40 13.158 -5.879 -30.755 1.00 6.71 H +ATOM 660 HZ2 LYS A 40 12.038 -6.673 -31.756 1.00 6.79 H +ATOM 661 HZ3 LYS A 40 13.392 -5.912 -32.438 1.00 6.75 H +ATOM 662 N VAL A 41 -9.556 1.761 2.979 1.00 19.64 N +ATOM 663 CA VAL A 41 -8.757 2.687 3.831 1.00 19.45 C +ATOM 664 C VAL A 41 -9.562 3.056 5.079 1.00 18.79 C +ATOM 665 O VAL A 41 -9.844 4.211 5.328 1.00 19.02 O +ATOM 666 CB VAL A 41 -8.433 3.956 3.040 1.00 19.77 C +ATOM 667 CG1 VAL A 41 -9.726 4.722 2.754 1.00 20.22 C +ATOM 668 CG2 VAL A 41 -7.490 4.839 3.859 1.00 19.99 C +ATOM 669 H1 VAL A 41 -10.475 1.580 3.430 1.00 19.83 H +ATOM 670 H2 VAL A 41 -9.706 2.196 2.045 1.00 19.55 H +ATOM 671 H3 VAL A 41 -9.044 0.864 2.866 1.00 19.78 H +ATOM 672 HA VAL A 41 -7.838 2.202 4.125 1.00 19.68 H +ATOM 673 HB VAL A 41 -7.961 3.688 2.106 1.00 19.65 H +ATOM 674 HG11 VAL A 41 -10.572 4.067 2.898 1.00 20.58 H +ATOM 675 HG12 VAL A 41 -9.803 5.562 3.430 1.00 20.10 H +ATOM 676 HG13 VAL A 41 -9.716 5.079 1.736 1.00 20.40 H +ATOM 677 HG21 VAL A 41 -6.684 4.237 4.253 1.00 20.15 H +ATOM 678 HG22 VAL A 41 -7.083 5.615 3.227 1.00 19.89 H +ATOM 679 HG23 VAL A 41 -8.035 5.289 4.676 1.00 20.21 H +ATOM 680 N GLN A 42 -9.935 2.083 5.867 1.00 18.10 N +ATOM 681 CA GLN A 42 -10.721 2.382 7.098 1.00 17.56 C +ATOM 682 C GLN A 42 -9.862 3.206 8.060 1.00 16.86 C +ATOM 683 O GLN A 42 -8.662 3.035 8.136 1.00 16.59 O +ATOM 684 CB GLN A 42 -11.134 1.072 7.776 1.00 17.30 C +ATOM 685 CG GLN A 42 -12.210 0.370 6.942 1.00 17.01 C +ATOM 686 CD GLN A 42 -13.301 1.373 6.561 1.00 16.75 C +ATOM 687 OE1 GLN A 42 -13.464 1.699 5.402 1.00 17.03 O +ATOM 688 NE2 GLN A 42 -14.060 1.879 7.494 1.00 16.36 N +ATOM 689 H GLN A 42 -9.698 1.158 5.649 1.00 18.01 H +ATOM 690 HA GLN A 42 -11.603 2.946 6.833 1.00 18.00 H +ATOM 691 HB2 GLN A 42 -10.271 0.427 7.866 1.00 17.10 H +ATOM 692 HB3 GLN A 42 -11.526 1.286 8.759 1.00 17.65 H +ATOM 693 HG2 GLN A 42 -11.764 -0.037 6.046 1.00 17.14 H +ATOM 694 HG3 GLN A 42 -12.647 -0.430 7.522 1.00 17.03 H +ATOM 695 HE21 GLN A 42 -13.929 1.616 8.430 1.00 16.23 H +ATOM 696 HE22 GLN A 42 -14.761 2.522 7.260 1.00 16.27 H +ATOM 697 N LEU A 43 -10.469 4.098 8.796 1.00 16.69 N +ATOM 698 CA LEU A 43 -9.684 4.931 9.750 1.00 16.15 C +ATOM 699 C LEU A 43 -10.445 5.052 11.072 1.00 15.61 C +ATOM 700 O LEU A 43 -10.058 5.790 11.957 1.00 15.57 O +ATOM 701 CB LEU A 43 -9.476 6.326 9.157 1.00 16.73 C +ATOM 702 CG LEU A 43 -8.056 6.803 9.461 1.00 16.88 C +ATOM 703 CD1 LEU A 43 -7.046 5.828 8.853 1.00 17.47 C +ATOM 704 CD2 LEU A 43 -7.847 8.194 8.856 1.00 17.27 C +ATOM 705 H LEU A 43 -11.437 4.222 8.719 1.00 17.00 H +ATOM 706 HA LEU A 43 -8.725 4.469 9.928 1.00 15.90 H +ATOM 707 HB2 LEU A 43 -9.623 6.286 8.086 1.00 17.22 H +ATOM 708 HB3 LEU A 43 -10.186 7.011 9.593 1.00 16.67 H +ATOM 709 HG LEU A 43 -7.914 6.850 10.531 1.00 16.46 H +ATOM 710 HD11 LEU A 43 -7.524 5.256 8.071 1.00 17.89 H +ATOM 711 HD12 LEU A 43 -6.216 6.381 8.439 1.00 17.56 H +ATOM 712 HD13 LEU A 43 -6.685 5.159 9.621 1.00 17.50 H +ATOM 713 HD21 LEU A 43 -8.800 8.694 8.766 1.00 17.31 H +ATOM 714 HD22 LEU A 43 -7.196 8.771 9.497 1.00 17.40 H +ATOM 715 HD23 LEU A 43 -7.398 8.098 7.879 1.00 17.53 H +ATOM 716 N ALA A 44 -11.527 4.337 11.216 1.00 15.34 N +ATOM 717 CA ALA A 44 -12.308 4.416 12.482 1.00 14.99 C +ATOM 718 C ALA A 44 -11.642 3.545 13.550 1.00 14.10 C +ATOM 719 O ALA A 44 -11.954 3.635 14.721 1.00 13.96 O +ATOM 720 CB ALA A 44 -13.735 3.922 12.236 1.00 15.58 C +ATOM 721 H ALA A 44 -11.827 3.748 10.492 1.00 15.48 H +ATOM 722 HA ALA A 44 -12.336 5.442 12.821 1.00 15.10 H +ATOM 723 HB1 ALA A 44 -13.733 3.211 11.423 1.00 15.78 H +ATOM 724 HB2 ALA A 44 -14.110 3.446 13.130 1.00 15.78 H +ATOM 725 HB3 ALA A 44 -14.367 4.760 11.980 1.00 15.73 H +ATOM 726 N HIS A 45 -10.727 2.702 13.153 1.00 13.65 N +ATOM 727 CA HIS A 45 -10.036 1.822 14.142 1.00 12.91 C +ATOM 728 C HIS A 45 -10.950 0.654 14.518 1.00 12.30 C +ATOM 729 O HIS A 45 -11.987 0.834 15.124 1.00 12.38 O +ATOM 730 CB HIS A 45 -9.698 2.629 15.397 1.00 12.96 C +ATOM 731 CG HIS A 45 -8.322 2.256 15.881 1.00 13.34 C +ATOM 732 ND1 HIS A 45 -7.174 2.830 15.357 1.00 13.54 N +ATOM 733 CD2 HIS A 45 -7.895 1.371 16.839 1.00 13.74 C +ATOM 734 CE1 HIS A 45 -6.122 2.289 15.999 1.00 14.03 C +ATOM 735 NE2 HIS A 45 -6.505 1.393 16.911 1.00 14.18 N +ATOM 736 H HIS A 45 -10.492 2.647 12.204 1.00 13.88 H +ATOM 737 HA HIS A 45 -9.125 1.439 13.705 1.00 12.98 H +ATOM 738 HB2 HIS A 45 -9.724 3.684 15.165 1.00 13.11 H +ATOM 739 HB3 HIS A 45 -10.420 2.412 16.169 1.00 12.79 H +ATOM 740 HD1 HIS A 45 -7.135 3.507 14.650 1.00 13.46 H +ATOM 741 HD2 HIS A 45 -8.540 0.752 17.445 1.00 13.85 H +ATOM 742 HE1 HIS A 45 -5.092 2.550 15.801 1.00 14.39 H +ATOM 743 N HIS A 46 -10.570 -0.545 14.165 1.00 11.87 N +ATOM 744 CA HIS A 46 -11.415 -1.725 14.503 1.00 11.46 C +ATOM 745 C HIS A 46 -10.910 -2.949 13.737 1.00 10.55 C +ATOM 746 O HIS A 46 -11.682 -3.766 13.277 1.00 10.53 O +ATOM 747 CB HIS A 46 -12.867 -1.445 14.115 1.00 11.84 C +ATOM 748 CG HIS A 46 -13.682 -1.211 15.357 1.00 12.35 C +ATOM 749 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 12.68 N +ATOM 750 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 12.80 C +ATOM 751 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 13.29 C +ATOM 752 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 13.39 N +ATOM 753 H HIS A 46 -9.729 -0.668 13.678 1.00 11.95 H +ATOM 754 HA HIS A 46 -11.356 -1.917 15.565 1.00 11.76 H +ATOM 755 HB2 HIS A 46 -12.908 -0.568 13.486 1.00 11.94 H +ATOM 756 HB3 HIS A 46 -13.266 -2.293 13.578 1.00 11.86 H +ATOM 757 HD1 HIS A 46 -14.478 0.705 14.933 1.00 12.63 H +ATOM 758 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 12.83 H +ATOM 759 HE1 HIS A 46 -15.662 0.609 17.169 1.00 13.77 H +ATOM 760 N PHE A 47 -9.619 -3.081 13.594 1.00 10.00 N +ATOM 761 CA PHE A 47 -9.068 -4.252 12.856 1.00 9.29 C +ATOM 762 C PHE A 47 -7.788 -4.732 13.542 1.00 8.27 C +ATOM 763 O PHE A 47 -7.818 -5.593 14.400 1.00 8.29 O +ATOM 764 CB PHE A 47 -8.753 -3.843 11.416 1.00 9.52 C +ATOM 765 CG PHE A 47 -9.856 -4.323 10.503 1.00 10.43 C +ATOM 766 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 10.86 C +ATOM 767 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 11.07 C +ATOM 768 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 11.86 C +ATOM 769 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 12.06 C +ATOM 770 CZ PHE A 47 -11.898 -5.214 8.807 1.00 12.43 C +ATOM 771 H PHE A 47 -9.013 -2.410 13.972 1.00 10.20 H +ATOM 772 HA PHE A 47 -9.796 -5.050 12.852 1.00 9.58 H +ATOM 773 HB2 PHE A 47 -8.680 -2.766 11.356 1.00 9.36 H +ATOM 774 HB3 PHE A 47 -7.817 -4.285 11.112 1.00 9.45 H +ATOM 775 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 10.55 H +ATOM 776 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 10.94 H +ATOM 777 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 12.32 H +ATOM 778 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 12.65 H +ATOM 779 HZ PHE A 47 -12.687 -5.558 8.153 1.00 13.28 H +ATOM 780 N SER A 48 -6.663 -4.183 13.173 1.00 7.61 N +ATOM 781 CA SER A 48 -5.384 -4.610 13.806 1.00 6.80 C +ATOM 782 C SER A 48 -5.133 -3.774 15.062 1.00 5.60 C +ATOM 783 O SER A 48 -4.778 -2.614 14.987 1.00 5.39 O +ATOM 784 CB SER A 48 -4.235 -4.407 12.817 1.00 7.36 C +ATOM 785 OG SER A 48 -4.383 -5.315 11.733 1.00 8.12 O +ATOM 786 H SER A 48 -6.660 -3.492 12.479 1.00 7.83 H +ATOM 787 HA SER A 48 -5.446 -5.654 14.075 1.00 6.96 H +ATOM 788 HB2 SER A 48 -4.258 -3.399 12.441 1.00 7.45 H +ATOM 789 HB3 SER A 48 -3.293 -4.580 13.321 1.00 7.39 H +ATOM 790 HG SER A 48 -4.490 -6.197 12.098 1.00 8.23 H +ATOM 791 N GLU A 49 -5.314 -4.354 16.217 1.00 5.12 N +ATOM 792 CA GLU A 49 -5.088 -3.594 17.478 1.00 4.22 C +ATOM 793 C GLU A 49 -3.595 -3.284 17.641 1.00 3.04 C +ATOM 794 O GLU A 49 -3.221 -2.140 17.803 1.00 3.18 O +ATOM 795 CB GLU A 49 -5.573 -4.425 18.668 1.00 4.88 C +ATOM 796 CG GLU A 49 -6.895 -3.852 19.184 1.00 5.77 C +ATOM 797 CD GLU A 49 -8.064 -4.586 18.523 1.00 6.71 C +ATOM 798 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 7.29 O +ATOM 799 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 7.09 O +ATOM 800 H GLU A 49 -5.601 -5.290 16.254 1.00 5.60 H +ATOM 801 HA GLU A 49 -5.641 -2.668 17.439 1.00 4.31 H +ATOM 802 HB2 GLU A 49 -5.720 -5.449 18.357 1.00 5.35 H +ATOM 803 HB3 GLU A 49 -4.836 -4.389 19.456 1.00 4.66 H +ATOM 804 HG2 GLU A 49 -6.949 -3.979 20.256 1.00 5.92 H +ATOM 805 HG3 GLU A 49 -6.952 -2.800 18.943 1.00 5.90 H +ATOM 806 N PRO A 50 -2.783 -4.313 17.599 1.00 2.28 N +ATOM 807 CA PRO A 50 -1.323 -4.162 17.748 1.00 1.48 C +ATOM 808 C PRO A 50 -0.760 -3.261 16.643 1.00 1.33 C +ATOM 809 O PRO A 50 -1.346 -3.116 15.586 1.00 1.29 O +ATOM 810 CB PRO A 50 -0.764 -5.586 17.621 1.00 2.00 C +ATOM 811 CG PRO A 50 -1.965 -6.548 17.434 1.00 2.71 C +ATOM 812 CD PRO A 50 -3.246 -5.699 17.403 1.00 2.87 C +ATOM 813 HA PRO A 50 -1.083 -3.761 18.719 1.00 1.64 H +ATOM 814 HB2 PRO A 50 -0.106 -5.646 16.764 1.00 2.42 H +ATOM 815 HB3 PRO A 50 -0.226 -5.851 18.518 1.00 2.16 H +ATOM 816 HG2 PRO A 50 -1.859 -7.089 16.504 1.00 3.49 H +ATOM 817 HG3 PRO A 50 -2.010 -7.242 18.259 1.00 2.78 H +ATOM 818 HD2 PRO A 50 -3.736 -5.806 16.447 1.00 3.66 H +ATOM 819 HD3 PRO A 50 -3.908 -5.988 18.204 1.00 3.03 H +ATOM 820 N GLU A 51 0.373 -2.658 16.879 1.00 1.30 N +ATOM 821 CA GLU A 51 0.975 -1.767 15.848 1.00 1.19 C +ATOM 822 C GLU A 51 1.393 -2.592 14.630 1.00 1.06 C +ATOM 823 O GLU A 51 0.764 -2.542 13.592 1.00 1.01 O +ATOM 824 CB GLU A 51 2.206 -1.070 16.431 1.00 1.29 C +ATOM 825 CG GLU A 51 1.789 -0.203 17.619 1.00 1.90 C +ATOM 826 CD GLU A 51 2.683 -0.519 18.818 1.00 2.25 C +ATOM 827 OE1 GLU A 51 2.686 -1.662 19.244 1.00 2.89 O +ATOM 828 OE2 GLU A 51 3.350 0.387 19.291 1.00 2.52 O +ATOM 829 H GLU A 51 0.827 -2.791 17.737 1.00 1.39 H +ATOM 830 HA GLU A 51 0.252 -1.024 15.547 1.00 1.17 H +ATOM 831 HB2 GLU A 51 2.917 -1.814 16.760 1.00 1.78 H +ATOM 832 HB3 GLU A 51 2.660 -0.448 15.674 1.00 1.39 H +ATOM 833 HG2 GLU A 51 1.893 0.841 17.355 1.00 2.21 H +ATOM 834 HG3 GLU A 51 0.761 -0.409 17.874 1.00 2.64 H +ATOM 835 N ILE A 52 2.456 -3.346 14.747 1.00 1.07 N +ATOM 836 CA ILE A 52 2.929 -4.170 13.602 1.00 0.98 C +ATOM 837 C ILE A 52 1.736 -4.780 12.861 1.00 0.89 C +ATOM 838 O ILE A 52 1.701 -4.817 11.647 1.00 0.82 O +ATOM 839 CB ILE A 52 3.841 -5.282 14.128 1.00 1.09 C +ATOM 840 CG1 ILE A 52 4.696 -5.806 12.981 1.00 1.29 C +ATOM 841 CG2 ILE A 52 3.002 -6.426 14.707 1.00 1.27 C +ATOM 842 CD1 ILE A 52 6.170 -5.541 13.287 1.00 2.11 C +ATOM 843 H ILE A 52 2.949 -3.364 15.591 1.00 1.17 H +ATOM 844 HA ILE A 52 3.489 -3.545 12.922 1.00 0.94 H +ATOM 845 HB ILE A 52 4.484 -4.886 14.901 1.00 1.22 H +ATOM 846 HG12 ILE A 52 4.533 -6.867 12.866 1.00 1.49 H +ATOM 847 HG13 ILE A 52 4.420 -5.295 12.071 1.00 1.36 H +ATOM 848 HG21 ILE A 52 2.268 -6.025 15.388 1.00 1.79 H +ATOM 849 HG22 ILE A 52 2.502 -6.947 13.903 1.00 1.73 H +ATOM 850 HG23 ILE A 52 3.646 -7.114 15.234 1.00 1.50 H +ATOM 851 HD11 ILE A 52 6.254 -4.654 13.897 1.00 2.58 H +ATOM 852 HD12 ILE A 52 6.584 -6.385 13.818 1.00 2.56 H +ATOM 853 HD13 ILE A 52 6.709 -5.395 12.363 1.00 2.50 H +ATOM 854 N THR A 53 0.758 -5.255 13.581 1.00 0.92 N +ATOM 855 CA THR A 53 -0.431 -5.857 12.915 1.00 0.87 C +ATOM 856 C THR A 53 -1.121 -4.799 12.050 1.00 0.77 C +ATOM 857 O THR A 53 -1.476 -5.047 10.914 1.00 0.69 O +ATOM 858 CB THR A 53 -1.408 -6.385 13.972 1.00 0.99 C +ATOM 859 OG1 THR A 53 -1.442 -5.496 15.082 1.00 1.57 O +ATOM 860 CG2 THR A 53 -0.954 -7.768 14.440 1.00 1.43 C +ATOM 861 H THR A 53 0.804 -5.213 14.558 1.00 1.01 H +ATOM 862 HA THR A 53 -0.109 -6.675 12.287 1.00 0.85 H +ATOM 863 HB THR A 53 -2.394 -6.462 13.543 1.00 1.38 H +ATOM 864 HG1 THR A 53 -0.975 -4.697 14.839 1.00 1.99 H +ATOM 865 HG21 THR A 53 -0.301 -8.202 13.699 1.00 1.95 H +ATOM 866 HG22 THR A 53 -0.424 -7.675 15.377 1.00 1.96 H +ATOM 867 HG23 THR A 53 -1.816 -8.402 14.577 1.00 1.85 H +ATOM 868 N LEU A 54 -1.329 -3.623 12.576 1.00 0.81 N +ATOM 869 CA LEU A 54 -2.006 -2.571 11.766 1.00 0.74 C +ATOM 870 C LEU A 54 -1.043 -2.026 10.710 1.00 0.62 C +ATOM 871 O LEU A 54 -1.398 -1.894 9.558 1.00 0.52 O +ATOM 872 CB LEU A 54 -2.459 -1.422 12.674 1.00 0.87 C +ATOM 873 CG LEU A 54 -3.787 -0.853 12.165 1.00 1.11 C +ATOM 874 CD1 LEU A 54 -4.040 0.507 12.818 1.00 1.02 C +ATOM 875 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 1.63 C +ATOM 876 H LEU A 54 -1.047 -3.435 13.496 1.00 0.89 H +ATOM 877 HA LEU A 54 -2.866 -2.997 11.271 1.00 0.73 H +ATOM 878 HB2 LEU A 54 -2.591 -1.789 13.681 1.00 1.12 H +ATOM 879 HB3 LEU A 54 -1.712 -0.644 12.669 1.00 1.06 H +ATOM 880 HG LEU A 54 -4.590 -1.529 12.422 1.00 1.49 H +ATOM 881 HD11 LEU A 54 -3.240 0.729 13.508 1.00 1.17 H +ATOM 882 HD12 LEU A 54 -4.079 1.271 12.055 1.00 1.50 H +ATOM 883 HD13 LEU A 54 -4.979 0.481 13.351 1.00 1.52 H +ATOM 884 HD21 LEU A 54 -2.822 -0.159 10.375 1.00 2.19 H +ATOM 885 HD22 LEU A 54 -3.743 -1.650 10.171 1.00 1.88 H +ATOM 886 HD23 LEU A 54 -4.584 -0.106 10.315 1.00 2.07 H +ATOM 887 N ILE A 55 0.167 -1.697 11.078 1.00 0.66 N +ATOM 888 CA ILE A 55 1.107 -1.158 10.055 1.00 0.59 C +ATOM 889 C ILE A 55 1.260 -2.171 8.918 1.00 0.48 C +ATOM 890 O ILE A 55 1.135 -1.833 7.757 1.00 0.39 O +ATOM 891 CB ILE A 55 2.472 -0.900 10.695 1.00 0.70 C +ATOM 892 CG1 ILE A 55 2.311 0.071 11.868 1.00 0.89 C +ATOM 893 CG2 ILE A 55 3.414 -0.291 9.654 1.00 0.73 C +ATOM 894 CD1 ILE A 55 3.576 0.043 12.728 1.00 1.02 C +ATOM 895 H ILE A 55 0.451 -1.799 12.011 1.00 0.76 H +ATOM 896 HA ILE A 55 0.714 -0.232 9.661 1.00 0.57 H +ATOM 897 HB ILE A 55 2.886 -1.832 11.051 1.00 0.70 H +ATOM 898 HG12 ILE A 55 2.154 1.070 11.489 1.00 0.95 H +ATOM 899 HG13 ILE A 55 1.464 -0.227 12.467 1.00 0.95 H +ATOM 900 HG21 ILE A 55 3.450 -0.930 8.784 1.00 1.16 H +ATOM 901 HG22 ILE A 55 3.053 0.686 9.369 1.00 1.26 H +ATOM 902 HG23 ILE A 55 4.404 -0.200 10.075 1.00 1.34 H +ATOM 903 HD11 ILE A 55 4.369 -0.453 12.188 1.00 1.45 H +ATOM 904 HD12 ILE A 55 3.876 1.055 12.960 1.00 1.40 H +ATOM 905 HD13 ILE A 55 3.377 -0.492 13.646 1.00 1.51 H +ATOM 906 N ILE A 56 1.500 -3.417 9.237 1.00 0.51 N +ATOM 907 CA ILE A 56 1.622 -4.438 8.159 1.00 0.45 C +ATOM 908 C ILE A 56 0.327 -4.451 7.349 1.00 0.35 C +ATOM 909 O ILE A 56 0.335 -4.430 6.132 1.00 0.30 O +ATOM 910 CB ILE A 56 1.892 -5.820 8.767 1.00 0.52 C +ATOM 911 CG1 ILE A 56 2.302 -6.791 7.658 1.00 1.19 C +ATOM 912 CG2 ILE A 56 0.637 -6.344 9.462 1.00 1.41 C +ATOM 913 CD1 ILE A 56 3.696 -7.344 7.956 1.00 1.86 C +ATOM 914 H ILE A 56 1.577 -3.680 10.179 1.00 0.59 H +ATOM 915 HA ILE A 56 2.443 -4.168 7.509 1.00 0.46 H +ATOM 916 HB ILE A 56 2.690 -5.741 9.488 1.00 1.05 H +ATOM 917 HG12 ILE A 56 1.592 -7.604 7.612 1.00 1.77 H +ATOM 918 HG13 ILE A 56 2.317 -6.271 6.712 1.00 1.90 H +ATOM 919 HG21 ILE A 56 -0.167 -6.424 8.747 1.00 1.89 H +ATOM 920 HG22 ILE A 56 0.841 -7.317 9.884 1.00 1.87 H +ATOM 921 HG23 ILE A 56 0.356 -5.665 10.249 1.00 2.07 H +ATOM 922 HD11 ILE A 56 4.167 -6.743 8.719 1.00 2.48 H +ATOM 923 HD12 ILE A 56 3.612 -8.364 8.302 1.00 2.31 H +ATOM 924 HD13 ILE A 56 4.294 -7.317 7.057 1.00 2.21 H +ATOM 925 N PHE A 57 -0.790 -4.478 8.027 1.00 0.37 N +ATOM 926 CA PHE A 57 -2.104 -4.486 7.319 1.00 0.34 C +ATOM 927 C PHE A 57 -2.201 -3.262 6.412 1.00 0.29 C +ATOM 928 O PHE A 57 -2.590 -3.358 5.265 1.00 0.27 O +ATOM 929 CB PHE A 57 -3.253 -4.459 8.333 1.00 0.44 C +ATOM 930 CG PHE A 57 -3.822 -5.851 8.480 1.00 1.05 C +ATOM 931 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 1.80 C +ATOM 932 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 1.97 C +ATOM 933 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 2.57 C +ATOM 934 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 2.71 C +ATOM 935 CZ PHE A 57 -4.876 -8.431 8.751 1.00 2.81 C +ATOM 936 H PHE A 57 -0.761 -4.493 9.007 1.00 0.43 H +ATOM 937 HA PHE A 57 -2.178 -5.382 6.718 1.00 0.34 H +ATOM 938 HB2 PHE A 57 -2.889 -4.114 9.290 1.00 0.94 H +ATOM 939 HB3 PHE A 57 -4.026 -3.792 7.982 1.00 0.81 H +ATOM 940 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 2.26 H +ATOM 941 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 2.49 H +ATOM 942 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 3.32 H +ATOM 943 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 3.52 H +ATOM 944 HZ PHE A 57 -5.282 -9.426 8.854 1.00 3.51 H +ATOM 945 N GLY A 58 -1.860 -2.109 6.916 1.00 0.30 N +ATOM 946 CA GLY A 58 -1.944 -0.879 6.079 1.00 0.28 C +ATOM 947 C GLY A 58 -1.104 -1.069 4.816 1.00 0.22 C +ATOM 948 O GLY A 58 -1.550 -0.791 3.722 1.00 0.23 O +ATOM 949 H GLY A 58 -1.556 -2.049 7.847 1.00 0.34 H +ATOM 950 HA2 GLY A 58 -2.975 -0.700 5.804 1.00 0.31 H +ATOM 951 HA3 GLY A 58 -1.567 -0.035 6.637 1.00 0.31 H +ATOM 952 N VAL A 59 0.103 -1.549 4.949 1.00 0.22 N +ATOM 953 CA VAL A 59 0.941 -1.756 3.736 1.00 0.23 C +ATOM 954 C VAL A 59 0.193 -2.684 2.776 1.00 0.22 C +ATOM 955 O VAL A 59 0.058 -2.403 1.600 1.00 0.23 O +ATOM 956 CB VAL A 59 2.272 -2.387 4.143 1.00 0.27 C +ATOM 957 CG1 VAL A 59 3.116 -2.655 2.896 1.00 0.33 C +ATOM 958 CG2 VAL A 59 3.021 -1.426 5.071 1.00 0.30 C +ATOM 959 H VAL A 59 0.451 -1.777 5.837 1.00 0.24 H +ATOM 960 HA VAL A 59 1.124 -0.809 3.253 1.00 0.25 H +ATOM 961 HB VAL A 59 2.086 -3.319 4.659 1.00 0.30 H +ATOM 962 HG11 VAL A 59 2.468 -2.738 2.035 1.00 0.98 H +ATOM 963 HG12 VAL A 59 3.809 -1.839 2.748 1.00 1.10 H +ATOM 964 HG13 VAL A 59 3.665 -3.576 3.024 1.00 1.05 H +ATOM 965 HG21 VAL A 59 2.314 -0.762 5.549 1.00 0.93 H +ATOM 966 HG22 VAL A 59 3.550 -1.991 5.825 1.00 1.14 H +ATOM 967 HG23 VAL A 59 3.726 -0.845 4.496 1.00 1.08 H +ATOM 968 N MET A 60 -0.323 -3.774 3.276 1.00 0.22 N +ATOM 969 CA MET A 60 -1.094 -4.700 2.401 1.00 0.23 C +ATOM 970 C MET A 60 -2.254 -3.926 1.773 1.00 0.24 C +ATOM 971 O MET A 60 -2.497 -3.992 0.583 1.00 0.25 O +ATOM 972 CB MET A 60 -1.641 -5.858 3.238 1.00 0.26 C +ATOM 973 CG MET A 60 -0.478 -6.620 3.877 1.00 0.32 C +ATOM 974 SD MET A 60 -1.054 -8.243 4.436 1.00 1.15 S +ATOM 975 CE MET A 60 -2.280 -7.654 5.630 1.00 1.83 C +ATOM 976 H MET A 60 -0.224 -3.971 4.232 1.00 0.22 H +ATOM 977 HA MET A 60 -0.450 -5.085 1.623 1.00 0.25 H +ATOM 978 HB2 MET A 60 -2.287 -5.468 4.012 1.00 0.29 H +ATOM 979 HB3 MET A 60 -2.203 -6.527 2.604 1.00 0.30 H +ATOM 980 HG2 MET A 60 0.310 -6.750 3.151 1.00 0.69 H +ATOM 981 HG3 MET A 60 -0.103 -6.061 4.721 1.00 0.71 H +ATOM 982 HE1 MET A 60 -2.890 -6.888 5.171 1.00 2.42 H +ATOM 983 HE2 MET A 60 -2.909 -8.473 5.937 1.00 2.17 H +ATOM 984 HE3 MET A 60 -1.773 -7.247 6.495 1.00 2.39 H +ATOM 985 N ALA A 61 -2.967 -3.187 2.580 1.00 0.25 N +ATOM 986 CA ALA A 61 -4.115 -2.391 2.068 1.00 0.27 C +ATOM 987 C ALA A 61 -3.638 -1.441 0.964 1.00 0.26 C +ATOM 988 O ALA A 61 -4.262 -1.329 -0.073 1.00 0.27 O +ATOM 989 CB ALA A 61 -4.761 -1.600 3.215 1.00 0.31 C +ATOM 990 H ALA A 61 -2.741 -3.154 3.532 1.00 0.25 H +ATOM 991 HA ALA A 61 -4.850 -3.067 1.652 1.00 0.29 H +ATOM 992 HB1 ALA A 61 -4.117 -1.623 4.082 1.00 1.02 H +ATOM 993 HB2 ALA A 61 -4.922 -0.576 2.909 1.00 1.10 H +ATOM 994 HB3 ALA A 61 -5.711 -2.049 3.467 1.00 1.06 H +ATOM 995 N GLY A 62 -2.547 -0.744 1.170 1.00 0.25 N +ATOM 996 CA GLY A 62 -2.071 0.195 0.118 1.00 0.26 C +ATOM 997 C GLY A 62 -1.867 -0.571 -1.186 1.00 0.24 C +ATOM 998 O GLY A 62 -2.311 -0.149 -2.235 1.00 0.24 O +ATOM 999 H GLY A 62 -2.048 -0.834 2.007 1.00 0.25 H +ATOM 1000 HA2 GLY A 62 -2.807 0.974 -0.029 1.00 0.29 H +ATOM 1001 HA3 GLY A 62 -1.135 0.635 0.424 1.00 0.27 H +ATOM 1002 N VAL A 63 -1.212 -1.699 -1.139 1.00 0.22 N +ATOM 1003 CA VAL A 63 -1.011 -2.474 -2.397 1.00 0.21 C +ATOM 1004 C VAL A 63 -2.378 -2.781 -3.018 1.00 0.21 C +ATOM 1005 O VAL A 63 -2.596 -2.580 -4.197 1.00 0.21 O +ATOM 1006 CB VAL A 63 -0.285 -3.784 -2.087 1.00 0.23 C +ATOM 1007 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 0.28 C +ATOM 1008 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 0.31 C +ATOM 1009 H VAL A 63 -0.861 -2.036 -0.285 1.00 0.22 H +ATOM 1010 HA VAL A 63 -0.422 -1.889 -3.090 1.00 0.22 H +ATOM 1011 HB VAL A 63 -0.882 -4.373 -1.408 1.00 0.28 H +ATOM 1012 HG11 VAL A 63 -0.997 -4.624 -3.930 1.00 0.98 H +ATOM 1013 HG12 VAL A 63 0.674 -4.062 -3.988 1.00 1.07 H +ATOM 1014 HG13 VAL A 63 0.277 -5.562 -3.150 1.00 1.13 H +ATOM 1015 HG21 VAL A 63 1.555 -2.681 -1.991 1.00 0.96 H +ATOM 1016 HG22 VAL A 63 0.921 -3.172 -0.420 1.00 1.07 H +ATOM 1017 HG23 VAL A 63 1.690 -4.361 -1.472 1.00 1.14 H +ATOM 1018 N ILE A 64 -3.305 -3.257 -2.227 1.00 0.23 N +ATOM 1019 CA ILE A 64 -4.661 -3.568 -2.763 1.00 0.25 C +ATOM 1020 C ILE A 64 -5.271 -2.314 -3.398 1.00 0.26 C +ATOM 1021 O ILE A 64 -5.803 -2.356 -4.489 1.00 0.26 O +ATOM 1022 CB ILE A 64 -5.560 -4.050 -1.624 1.00 0.30 C +ATOM 1023 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 0.32 C +ATOM 1024 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 0.40 C +ATOM 1025 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 1.06 C +ATOM 1026 H ILE A 64 -3.110 -3.409 -1.278 1.00 0.24 H +ATOM 1027 HA ILE A 64 -4.582 -4.345 -3.509 1.00 0.26 H +ATOM 1028 HB ILE A 64 -5.529 -3.335 -0.814 1.00 0.33 H +ATOM 1029 HG12 ILE A 64 -5.463 -6.190 -1.760 1.00 0.77 H +ATOM 1030 HG13 ILE A 64 -3.986 -5.435 -1.159 1.00 0.79 H +ATOM 1031 HG21 ILE A 64 -6.999 -4.697 -3.081 1.00 1.11 H +ATOM 1032 HG22 ILE A 64 -7.579 -4.750 -1.416 1.00 1.08 H +ATOM 1033 HG23 ILE A 64 -7.431 -3.203 -2.249 1.00 1.05 H +ATOM 1034 HD11 ILE A 64 -5.461 -4.704 0.861 1.00 1.59 H +ATOM 1035 HD12 ILE A 64 -6.560 -5.969 0.309 1.00 1.60 H +ATOM 1036 HD13 ILE A 64 -4.911 -6.379 0.781 1.00 1.66 H +ATOM 1037 N GLY A 65 -5.205 -1.198 -2.720 1.00 0.27 N +ATOM 1038 CA GLY A 65 -5.790 0.052 -3.281 1.00 0.30 C +ATOM 1039 C GLY A 65 -5.162 0.350 -4.642 1.00 0.27 C +ATOM 1040 O GLY A 65 -5.849 0.644 -5.600 1.00 0.29 O +ATOM 1041 H GLY A 65 -4.779 -1.184 -1.838 1.00 0.28 H +ATOM 1042 HA2 GLY A 65 -6.857 -0.071 -3.395 1.00 0.33 H +ATOM 1043 HA3 GLY A 65 -5.591 0.874 -2.611 1.00 0.33 H +ATOM 1044 N THR A 66 -3.863 0.275 -4.741 1.00 0.24 N +ATOM 1045 CA THR A 66 -3.207 0.554 -6.048 1.00 0.24 C +ATOM 1046 C THR A 66 -3.780 -0.388 -7.107 1.00 0.24 C +ATOM 1047 O THR A 66 -4.144 0.026 -8.190 1.00 0.28 O +ATOM 1048 CB THR A 66 -1.698 0.331 -5.925 1.00 0.25 C +ATOM 1049 OG1 THR A 66 -1.204 1.052 -4.804 1.00 0.32 O +ATOM 1050 CG2 THR A 66 -1.006 0.823 -7.198 1.00 0.28 C +ATOM 1051 H THR A 66 -3.322 0.034 -3.959 1.00 0.24 H +ATOM 1052 HA THR A 66 -3.399 1.578 -6.336 1.00 0.28 H +ATOM 1053 HB THR A 66 -1.498 -0.721 -5.794 1.00 0.25 H +ATOM 1054 HG1 THR A 66 -1.525 0.620 -4.008 1.00 0.39 H +ATOM 1055 HG21 THR A 66 -1.502 0.405 -8.062 1.00 1.00 H +ATOM 1056 HG22 THR A 66 -1.057 1.901 -7.242 1.00 1.09 H +ATOM 1057 HG23 THR A 66 0.028 0.512 -7.190 1.00 0.99 H +ATOM 1058 N ILE A 67 -3.872 -1.654 -6.801 1.00 0.23 N +ATOM 1059 CA ILE A 67 -4.433 -2.616 -7.791 1.00 0.29 C +ATOM 1060 C ILE A 67 -5.841 -2.165 -8.189 1.00 0.33 C +ATOM 1061 O ILE A 67 -6.184 -2.115 -9.353 1.00 0.40 O +ATOM 1062 CB ILE A 67 -4.498 -4.012 -7.168 1.00 0.33 C +ATOM 1063 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 0.34 C +ATOM 1064 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 0.40 C +ATOM 1065 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 0.41 C +ATOM 1066 H ILE A 67 -3.580 -1.970 -5.920 1.00 0.21 H +ATOM 1067 HA ILE A 67 -3.801 -2.642 -8.667 1.00 0.32 H +ATOM 1068 HB ILE A 67 -4.953 -3.949 -6.190 1.00 0.34 H +ATOM 1069 HG12 ILE A 67 -2.722 -4.870 -8.014 1.00 0.40 H +ATOM 1070 HG13 ILE A 67 -2.429 -3.825 -6.624 1.00 0.34 H +ATOM 1071 HG21 ILE A 67 -5.576 -4.419 -8.978 1.00 1.10 H +ATOM 1072 HG22 ILE A 67 -4.768 -5.824 -8.285 1.00 0.98 H +ATOM 1073 HG23 ILE A 67 -6.244 -5.202 -7.546 1.00 1.06 H +ATOM 1074 HD11 ILE A 67 -3.536 -5.523 -5.165 1.00 1.07 H +ATOM 1075 HD12 ILE A 67 -3.688 -6.582 -6.566 1.00 1.11 H +ATOM 1076 HD13 ILE A 67 -2.090 -6.147 -5.960 1.00 1.14 H +ATOM 1077 N LEU A 68 -6.654 -1.828 -7.225 1.00 0.33 N +ATOM 1078 CA LEU A 68 -8.036 -1.371 -7.533 1.00 0.41 C +ATOM 1079 C LEU A 68 -7.963 -0.162 -8.476 1.00 0.44 C +ATOM 1080 O LEU A 68 -8.666 -0.088 -9.464 1.00 0.51 O +ATOM 1081 CB LEU A 68 -8.758 -1.027 -6.210 1.00 0.44 C +ATOM 1082 CG LEU A 68 -9.339 0.393 -6.232 1.00 0.76 C +ATOM 1083 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 1.14 C +ATOM 1084 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 1.06 C +ATOM 1085 H LEU A 68 -6.353 -1.870 -6.293 1.00 0.30 H +ATOM 1086 HA LEU A 68 -8.568 -2.171 -8.030 1.00 0.46 H +ATOM 1087 HB2 LEU A 68 -9.561 -1.731 -6.053 1.00 0.70 H +ATOM 1088 HB3 LEU A 68 -8.055 -1.108 -5.394 1.00 0.61 H +ATOM 1089 HG LEU A 68 -8.589 1.081 -6.591 1.00 0.84 H +ATOM 1090 HD11 LEU A 68 -11.151 -0.454 -7.012 1.00 1.55 H +ATOM 1091 HD12 LEU A 68 -11.153 1.307 -6.926 1.00 1.54 H +ATOM 1092 HD13 LEU A 68 -10.229 0.487 -8.184 1.00 1.72 H +ATOM 1093 HD21 LEU A 68 -9.616 -0.048 -4.148 1.00 1.51 H +ATOM 1094 HD22 LEU A 68 -9.163 1.625 -4.481 1.00 1.52 H +ATOM 1095 HD23 LEU A 68 -10.804 1.071 -4.816 1.00 1.60 H +ATOM 1096 N LEU A 69 -7.120 0.789 -8.172 1.00 0.40 N +ATOM 1097 CA LEU A 69 -7.008 1.991 -9.048 1.00 0.47 C +ATOM 1098 C LEU A 69 -6.666 1.556 -10.474 1.00 0.51 C +ATOM 1099 O LEU A 69 -7.269 2.002 -11.429 1.00 0.60 O +ATOM 1100 CB LEU A 69 -5.905 2.912 -8.516 1.00 0.47 C +ATOM 1101 CG LEU A 69 -5.953 4.249 -9.259 1.00 1.14 C +ATOM 1102 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 2.02 C +ATOM 1103 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 1.67 C +ATOM 1104 H LEU A 69 -6.563 0.709 -7.368 1.00 0.36 H +ATOM 1105 HA LEU A 69 -7.950 2.524 -9.054 1.00 0.54 H +ATOM 1106 HB2 LEU A 69 -6.056 3.081 -7.460 1.00 0.81 H +ATOM 1107 HB3 LEU A 69 -4.942 2.449 -8.674 1.00 0.89 H +ATOM 1108 HG LEU A 69 -5.755 4.085 -10.309 1.00 1.90 H +ATOM 1109 HD11 LEU A 69 -7.737 4.623 -8.124 1.00 2.49 H +ATOM 1110 HD12 LEU A 69 -7.256 5.952 -9.177 1.00 2.41 H +ATOM 1111 HD13 LEU A 69 -7.996 4.507 -9.864 1.00 2.62 H +ATOM 1112 HD21 LEU A 69 -4.280 4.654 -7.972 1.00 2.08 H +ATOM 1113 HD22 LEU A 69 -4.277 5.573 -9.479 1.00 2.26 H +ATOM 1114 HD23 LEU A 69 -5.383 6.015 -8.179 1.00 2.09 H +ATOM 1115 N ILE A 70 -5.705 0.687 -10.629 1.00 0.47 N +ATOM 1116 CA ILE A 70 -5.336 0.228 -11.998 1.00 0.57 C +ATOM 1117 C ILE A 70 -6.563 -0.366 -12.683 1.00 0.65 C +ATOM 1118 O ILE A 70 -6.864 -0.045 -13.815 1.00 0.77 O +ATOM 1119 CB ILE A 70 -4.238 -0.832 -11.904 1.00 0.55 C +ATOM 1120 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 0.51 C +ATOM 1121 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 0.66 C +ATOM 1122 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 0.54 C +ATOM 1123 H ILE A 70 -5.229 0.334 -9.848 1.00 0.40 H +ATOM 1124 HA ILE A 70 -4.979 1.067 -12.578 1.00 0.62 H +ATOM 1125 HB ILE A 70 -4.577 -1.644 -11.276 1.00 0.53 H +ATOM 1126 HG12 ILE A 70 -2.503 0.425 -12.035 1.00 0.59 H +ATOM 1127 HG13 ILE A 70 -3.247 0.382 -10.436 1.00 0.48 H +ATOM 1128 HG21 ILE A 70 -4.284 -0.669 -14.043 1.00 1.39 H +ATOM 1129 HG22 ILE A 70 -2.853 -1.482 -13.409 1.00 1.07 H +ATOM 1130 HG23 ILE A 70 -4.404 -2.321 -13.439 1.00 1.17 H +ATOM 1131 HD11 ILE A 70 -2.575 -2.193 -10.592 1.00 1.13 H +ATOM 1132 HD12 ILE A 70 -1.360 -1.558 -11.701 1.00 1.23 H +ATOM 1133 HD13 ILE A 70 -1.424 -0.978 -10.035 1.00 1.10 H +ATOM 1134 N SER A 71 -7.284 -1.220 -12.011 1.00 0.63 N +ATOM 1135 CA SER A 71 -8.492 -1.807 -12.649 1.00 0.76 C +ATOM 1136 C SER A 71 -9.414 -0.667 -13.069 1.00 0.83 C +ATOM 1137 O SER A 71 -9.898 -0.620 -14.183 1.00 0.95 O +ATOM 1138 CB SER A 71 -9.215 -2.712 -11.651 1.00 0.74 C +ATOM 1139 OG SER A 71 -8.357 -2.976 -10.549 1.00 1.53 O +ATOM 1140 H SER A 71 -7.036 -1.467 -11.096 1.00 0.55 H +ATOM 1141 HA SER A 71 -8.202 -2.379 -13.519 1.00 0.83 H +ATOM 1142 HB2 SER A 71 -10.107 -2.222 -11.299 1.00 1.04 H +ATOM 1143 HB3 SER A 71 -9.486 -3.640 -12.140 1.00 1.03 H +ATOM 1144 HG SER A 71 -8.902 -3.050 -9.762 1.00 1.76 H +ATOM 1145 N TYR A 72 -9.648 0.266 -12.187 1.00 0.77 N +ATOM 1146 CA TYR A 72 -10.522 1.416 -12.538 1.00 0.87 C +ATOM 1147 C TYR A 72 -9.950 2.131 -13.767 1.00 0.94 C +ATOM 1148 O TYR A 72 -10.658 2.427 -14.708 1.00 1.07 O +ATOM 1149 CB TYR A 72 -10.580 2.390 -11.361 1.00 0.83 C +ATOM 1150 CG TYR A 72 -11.997 2.475 -10.846 1.00 1.09 C +ATOM 1151 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 1.68 C +ATOM 1152 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 1.74 C +ATOM 1153 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 2.03 C +ATOM 1154 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 1.99 C +ATOM 1155 CZ TYR A 72 -14.624 2.637 -9.891 1.00 1.84 C +ATOM 1156 OH TYR A 72 -15.920 2.717 -9.421 1.00 2.25 O +ATOM 1157 H TYR A 72 -9.238 0.213 -11.297 1.00 0.68 H +ATOM 1158 HA TYR A 72 -11.517 1.058 -12.760 1.00 0.96 H +ATOM 1159 HB2 TYR A 72 -9.930 2.038 -10.572 1.00 0.85 H +ATOM 1160 HB3 TYR A 72 -10.256 3.367 -11.685 1.00 0.87 H +ATOM 1161 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 2.29 H +ATOM 1162 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 2.42 H +ATOM 1163 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 2.78 H +ATOM 1164 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 2.69 H +ATOM 1165 HH TYR A 72 -15.906 3.214 -8.599 1.00 2.43 H +ATOM 1166 N GLY A 73 -8.670 2.405 -13.767 1.00 0.88 N +ATOM 1167 CA GLY A 73 -8.058 3.094 -14.938 1.00 0.98 C +ATOM 1168 C GLY A 73 -8.314 2.269 -16.198 1.00 1.10 C +ATOM 1169 O GLY A 73 -8.734 2.784 -17.215 1.00 1.24 O +ATOM 1170 H GLY A 73 -8.113 2.157 -13.001 1.00 0.78 H +ATOM 1171 HA2 GLY A 73 -8.498 4.074 -15.050 1.00 1.05 H +ATOM 1172 HA3 GLY A 73 -6.994 3.190 -14.786 1.00 0.93 H +ATOM 1173 N ILE A 74 -8.073 0.988 -16.135 1.00 1.07 N +ATOM 1174 CA ILE A 74 -8.317 0.133 -17.332 1.00 1.22 C +ATOM 1175 C ILE A 74 -9.781 0.283 -17.758 1.00 1.34 C +ATOM 1176 O ILE A 74 -10.082 0.473 -18.918 1.00 1.50 O +ATOM 1177 CB ILE A 74 -8.007 -1.334 -16.993 1.00 1.20 C +ATOM 1178 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 1.37 C +ATOM 1179 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 1.50 C +ATOM 1180 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 1.81 C +ATOM 1181 H ILE A 74 -7.737 0.590 -15.301 1.00 0.95 H +ATOM 1182 HA ILE A 74 -7.674 0.458 -18.139 1.00 1.29 H +ATOM 1183 HB ILE A 74 -8.338 -1.550 -15.989 1.00 1.42 H +ATOM 1184 HG12 ILE A 74 -6.312 -2.550 -17.507 1.00 1.68 H +ATOM 1185 HG13 ILE A 74 -6.062 -0.820 -17.745 1.00 1.85 H +ATOM 1186 HG21 ILE A 74 -8.746 -1.808 -18.955 1.00 1.93 H +ATOM 1187 HG22 ILE A 74 -8.201 -3.207 -18.030 1.00 1.99 H +ATOM 1188 HG23 ILE A 74 -9.737 -2.434 -17.638 1.00 1.84 H +ATOM 1189 HD11 ILE A 74 -6.547 -1.861 -14.973 1.00 2.15 H +ATOM 1190 HD12 ILE A 74 -4.945 -2.033 -15.691 1.00 2.28 H +ATOM 1191 HD13 ILE A 74 -5.653 -0.431 -15.486 1.00 2.29 H +ATOM 1192 N ARG A 75 -10.691 0.199 -16.825 1.00 1.29 N +ATOM 1193 CA ARG A 75 -12.136 0.339 -17.174 1.00 1.42 C +ATOM 1194 C ARG A 75 -12.369 1.682 -17.864 1.00 1.52 C +ATOM 1195 O ARG A 75 -13.025 1.754 -18.885 1.00 1.68 O +ATOM 1196 CB ARG A 75 -12.990 0.260 -15.904 1.00 1.36 C +ATOM 1197 CG ARG A 75 -14.446 -0.010 -16.285 1.00 1.61 C +ATOM 1198 CD ARG A 75 -15.272 1.263 -16.091 1.00 1.77 C +ATOM 1199 NE ARG A 75 -15.021 1.815 -14.730 1.00 1.70 N +ATOM 1200 CZ ARG A 75 -15.373 3.040 -14.448 1.00 2.10 C +ATOM 1201 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 2.69 N +ATOM 1202 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 2.54 N +ATOM 1203 H ARG A 75 -10.422 0.046 -15.896 1.00 1.17 H +ATOM 1204 HA ARG A 75 -12.419 -0.458 -17.849 1.00 1.53 H +ATOM 1205 HB2 ARG A 75 -12.628 -0.541 -15.274 1.00 1.77 H +ATOM 1206 HB3 ARG A 75 -12.928 1.196 -15.369 1.00 1.52 H +ATOM 1207 HG2 ARG A 75 -14.495 -0.318 -17.320 1.00 2.02 H +ATOM 1208 HG3 ARG A 75 -14.843 -0.794 -15.656 1.00 2.12 H +ATOM 1209 HD2 ARG A 75 -14.987 1.993 -16.834 1.00 2.20 H +ATOM 1210 HD3 ARG A 75 -16.322 1.031 -16.197 1.00 2.01 H +ATOM 1211 HE ARG A 75 -14.591 1.260 -14.047 1.00 1.66 H +ATOM 1212 HH11 ARG A 75 -17.276 2.787 -15.017 1.00 3.04 H +ATOM 1213 HH12 ARG A 75 -16.874 4.367 -14.433 1.00 3.11 H +ATOM 1214 HH21 ARG A 75 -13.553 3.580 -13.813 1.00 2.81 H +ATOM 1215 HH22 ARG A 75 -14.766 4.816 -13.751 1.00 2.97 H +ATOM 1216 N ARG A 76 -11.839 2.750 -17.329 1.00 1.43 N +ATOM 1217 CA ARG A 76 -12.046 4.070 -17.985 1.00 1.55 C +ATOM 1218 C ARG A 76 -11.541 3.960 -19.420 1.00 1.67 C +ATOM 1219 O ARG A 76 -12.216 4.328 -20.359 1.00 1.83 O +ATOM 1220 CB ARG A 76 -11.256 5.148 -17.239 1.00 1.45 C +ATOM 1221 CG ARG A 76 -11.601 6.524 -17.811 1.00 1.62 C +ATOM 1222 CD ARG A 76 -11.544 7.570 -16.696 1.00 1.72 C +ATOM 1223 NE ARG A 76 -11.975 8.895 -17.227 1.00 2.17 N +ATOM 1224 CZ ARG A 76 -11.658 9.250 -18.443 1.00 2.50 C +ATOM 1225 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 2.89 N +ATOM 1226 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 3.17 N +ATOM 1227 H ARG A 76 -11.309 2.682 -16.508 1.00 1.30 H +ATOM 1228 HA ARG A 76 -13.097 4.317 -17.987 1.00 1.63 H +ATOM 1229 HB2 ARG A 76 -11.513 5.120 -16.189 1.00 1.45 H +ATOM 1230 HB3 ARG A 76 -10.199 4.966 -17.356 1.00 1.41 H +ATOM 1231 HG2 ARG A 76 -10.891 6.780 -18.584 1.00 1.82 H +ATOM 1232 HG3 ARG A 76 -12.596 6.501 -18.230 1.00 2.06 H +ATOM 1233 HD2 ARG A 76 -12.203 7.275 -15.893 1.00 2.19 H +ATOM 1234 HD3 ARG A 76 -10.533 7.643 -16.323 1.00 2.00 H +ATOM 1235 HE ARG A 76 -12.498 9.503 -16.662 1.00 2.74 H +ATOM 1236 HH11 ARG A 76 -9.814 9.856 -17.950 1.00 3.01 H +ATOM 1237 HH12 ARG A 76 -10.234 10.017 -19.623 1.00 3.47 H +ATOM 1238 HH21 ARG A 76 -13.427 8.726 -19.222 1.00 3.47 H +ATOM 1239 HH22 ARG A 76 -12.279 9.378 -20.343 1.00 3.71 H +ATOM 1240 N LEU A 77 -10.372 3.412 -19.595 1.00 1.62 N +ATOM 1241 CA LEU A 77 -9.838 3.226 -20.968 1.00 1.76 C +ATOM 1242 C LEU A 77 -10.847 2.389 -21.754 1.00 1.92 C +ATOM 1243 O LEU A 77 -11.184 2.700 -22.877 1.00 2.09 O +ATOM 1244 CB LEU A 77 -8.499 2.489 -20.903 1.00 1.69 C +ATOM 1245 CG LEU A 77 -7.354 3.498 -20.979 1.00 1.72 C +ATOM 1246 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 1.72 C +ATOM 1247 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 2.01 C +ATOM 1248 H LEU A 77 -9.860 3.093 -18.823 1.00 1.49 H +ATOM 1249 HA LEU A 77 -9.707 4.186 -21.445 1.00 1.83 H +ATOM 1250 HB2 LEU A 77 -8.435 1.940 -19.974 1.00 1.59 H +ATOM 1251 HB3 LEU A 77 -8.425 1.802 -21.733 1.00 1.80 H +ATOM 1252 HG LEU A 77 -7.602 4.369 -20.388 1.00 1.71 H +ATOM 1253 HD11 LEU A 77 -6.215 1.793 -20.345 1.00 1.99 H +ATOM 1254 HD12 LEU A 77 -5.255 3.063 -21.106 1.00 2.11 H +ATOM 1255 HD13 LEU A 77 -5.854 3.274 -19.460 1.00 1.93 H +ATOM 1256 HD21 LEU A 77 -8.090 3.976 -22.938 1.00 2.56 H +ATOM 1257 HD22 LEU A 77 -6.646 4.873 -22.467 1.00 2.23 H +ATOM 1258 HD23 LEU A 77 -6.518 3.176 -22.929 1.00 2.13 H +ATOM 1259 N ILE A 78 -11.311 1.322 -21.144 1.00 1.89 N +ATOM 1260 CA ILE A 78 -12.300 0.399 -21.779 1.00 2.07 C +ATOM 1261 C ILE A 78 -11.558 -0.754 -22.449 1.00 2.17 C +ATOM 1262 O ILE A 78 -10.995 -0.618 -23.516 1.00 2.50 O +ATOM 1263 CB ILE A 78 -13.168 1.137 -22.798 1.00 2.14 C +ATOM 1264 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 2.13 C +ATOM 1265 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 2.25 C +ATOM 1266 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 2.38 C +ATOM 1267 H ILE A 78 -10.995 1.123 -20.241 1.00 1.77 H +ATOM 1268 HA ILE A 78 -12.939 -0.006 -21.005 1.00 2.26 H +ATOM 1269 HB ILE A 78 -12.565 1.442 -23.637 1.00 2.30 H +ATOM 1270 HG12 ILE A 78 -14.843 2.195 -21.975 1.00 2.27 H +ATOM 1271 HG13 ILE A 78 -13.310 2.523 -21.165 1.00 2.04 H +ATOM 1272 HG21 ILE A 78 -14.358 -0.639 -22.616 1.00 2.53 H +ATOM 1273 HG22 ILE A 78 -15.220 0.744 -23.290 1.00 2.38 H +ATOM 1274 HG23 ILE A 78 -14.055 -0.138 -24.279 1.00 2.56 H +ATOM 1275 HD11 ILE A 78 -13.193 3.293 -23.965 1.00 2.64 H +ATOM 1276 HD12 ILE A 78 -14.528 4.101 -23.144 1.00 2.66 H +ATOM 1277 HD13 ILE A 78 -12.883 4.269 -22.529 1.00 2.72 H +ATOM 1278 N LYS A 79 -11.549 -1.893 -21.810 1.00 2.25 N +ATOM 1279 CA LYS A 79 -10.841 -3.072 -22.378 1.00 2.60 C +ATOM 1280 C LYS A 79 -11.762 -3.803 -23.357 1.00 2.97 C +ATOM 1281 O LYS A 79 -12.865 -4.183 -23.019 1.00 3.27 O +ATOM 1282 CB LYS A 79 -10.447 -4.018 -21.239 1.00 2.80 C +ATOM 1283 CG LYS A 79 -9.148 -4.741 -21.598 1.00 3.38 C +ATOM 1284 CD LYS A 79 -8.868 -5.834 -20.563 1.00 3.94 C +ATOM 1285 CE LYS A 79 -8.755 -7.188 -21.268 1.00 4.56 C +ATOM 1286 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 5.22 N +ATOM 1287 H LYS A 79 -12.008 -1.968 -20.948 1.00 2.32 H +ATOM 1288 HA LYS A 79 -9.951 -2.744 -22.896 1.00 2.72 H +ATOM 1289 HB2 LYS A 79 -10.306 -3.447 -20.330 1.00 2.65 H +ATOM 1290 HB3 LYS A 79 -11.232 -4.745 -21.088 1.00 3.01 H +ATOM 1291 HG2 LYS A 79 -9.243 -5.186 -22.578 1.00 3.67 H +ATOM 1292 HG3 LYS A 79 -8.332 -4.034 -21.601 1.00 3.67 H +ATOM 1293 HD2 LYS A 79 -7.942 -5.615 -20.051 1.00 4.28 H +ATOM 1294 HD3 LYS A 79 -9.676 -5.869 -19.849 1.00 4.08 H +ATOM 1295 HE2 LYS A 79 -9.594 -7.317 -21.935 1.00 4.79 H +ATOM 1296 HE3 LYS A 79 -7.835 -7.223 -21.833 1.00 4.75 H +ATOM 1297 HZ1 LYS A 79 -9.627 -8.226 -19.688 1.00 5.33 H +ATOM 1298 HZ2 LYS A 79 -8.709 -9.199 -20.731 1.00 5.57 H +ATOM 1299 HZ3 LYS A 79 -7.929 -8.169 -19.627 1.00 5.57 H +ATOM 1300 N LYS A 80 -11.318 -3.995 -24.570 1.00 3.27 N +ATOM 1301 CA LYS A 80 -12.166 -4.698 -25.578 1.00 3.83 C +ATOM 1302 C LYS A 80 -13.409 -3.855 -25.871 1.00 4.00 C +ATOM 1303 O LYS A 80 -14.435 -4.438 -26.180 1.00 4.36 O +ATOM 1304 CB LYS A 80 -12.597 -6.068 -25.037 1.00 4.43 C +ATOM 1305 CG LYS A 80 -11.368 -6.950 -24.795 1.00 5.03 C +ATOM 1306 CD LYS A 80 -10.712 -7.300 -26.133 1.00 5.77 C +ATOM 1307 CE LYS A 80 -9.211 -7.513 -25.928 1.00 6.68 C +ATOM 1308 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 7.38 N +ATOM 1309 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 4.28 O +ATOM 1310 H LYS A 80 -10.426 -3.670 -24.821 1.00 3.31 H +ATOM 1311 HA LYS A 80 -11.603 -4.832 -26.490 1.00 4.17 H +ATOM 1312 HB2 LYS A 80 -13.133 -5.935 -24.109 1.00 4.57 H +ATOM 1313 HB3 LYS A 80 -13.243 -6.548 -25.756 1.00 4.74 H +ATOM 1314 HG2 LYS A 80 -10.659 -6.423 -24.173 1.00 5.27 H +ATOM 1315 HG3 LYS A 80 -11.672 -7.859 -24.299 1.00 5.11 H +ATOM 1316 HD2 LYS A 80 -11.156 -8.206 -26.523 1.00 5.83 H +ATOM 1317 HD3 LYS A 80 -10.867 -6.494 -26.833 1.00 5.97 H +ATOM 1318 HE2 LYS A 80 -8.712 -7.496 -26.886 1.00 6.97 H +ATOM 1319 HE3 LYS A 80 -8.818 -6.726 -25.303 1.00 6.87 H +ATOM 1320 HZ1 LYS A 80 -9.894 -9.262 -25.026 1.00 7.46 H +ATOM 1321 HZ2 LYS A 80 -8.467 -9.458 -25.926 1.00 7.83 H +ATOM 1322 HZ3 LYS A 80 -8.419 -8.696 -24.408 1.00 7.60 H TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/withHETATM.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/withHETATM.pdb index 4f46fc2..35fcdeb 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/withHETATM.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/cleaning/withHETATM.pdb @@ -1,1324 +1,1322 @@ -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 18.74 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 18.11 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 17.30 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 17.26 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 18.42 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 18.58 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 18.59 C -ATOM 8 H1 VAL A 1 1.515 -20.822 8.553 1.00 18.63 H -ATOM 9 H2 VAL A 1 1.445 -20.096 7.018 1.00 19.07 H -ATOM 10 H3 VAL A 1 2.948 -20.460 7.716 1.00 19.08 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 18.15 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 18.56 H -ATOM 13 HG11 VAL A 1 -0.277 -19.650 9.164 1.00 18.56 H -ATOM 14 HG12 VAL A 1 -1.337 -18.334 8.655 1.00 18.83 H -ATOM 15 HG13 VAL A 1 -0.699 -19.465 7.461 1.00 18.58 H -ATOM 16 HG21 VAL A 1 1.546 -16.272 9.094 1.00 18.63 H -ATOM 17 HG22 VAL A 1 -0.159 -16.144 8.663 1.00 18.86 H -ATOM 18 HG23 VAL A 1 0.327 -17.098 10.064 1.00 18.54 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 16.78 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 16.11 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 15.69 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 15.68 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 16.10 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 15.49 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 15.09 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 15.39 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 14.56 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 16.93 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 16.10 H -ATOM 30 HB2 GLN A 2 4.114 -21.223 11.959 1.00 16.14 H -ATOM 31 HB3 GLN A 2 5.395 -20.012 11.957 1.00 16.63 H -ATOM 32 HG2 GLN A 2 5.100 -21.388 14.113 1.00 15.60 H -ATOM 33 HG3 GLN A 2 5.195 -19.638 14.295 1.00 15.40 H -ATOM 34 HE21 GLN A 2 3.509 -18.689 15.456 1.00 14.40 H -ATOM 35 HE22 GLN A 2 2.009 -19.422 15.761 1.00 14.42 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 15.49 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 15.26 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 14.77 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 14.94 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 15.58 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 15.97 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 16.71 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 16.05 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 15.59 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 15.38 H -ATOM 46 HB2 LEU A 3 2.349 -15.694 13.547 1.00 15.74 H -ATOM 47 HB3 LEU A 3 3.613 -14.867 14.459 1.00 15.55 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 15.84 H -ATOM 49 HD11 LEU A 3 0.848 -14.524 12.192 1.00 16.93 H -ATOM 50 HD12 LEU A 3 1.179 -12.895 11.603 1.00 16.80 H -ATOM 51 HD13 LEU A 3 2.141 -14.256 11.023 1.00 17.03 H -ATOM 52 HD21 LEU A 3 2.535 -12.966 15.061 1.00 16.08 H -ATOM 53 HD22 LEU A 3 1.695 -11.912 13.925 1.00 15.96 H -ATOM 54 HD23 LEU A 3 0.975 -13.452 14.397 1.00 16.30 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 14.32 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 14.03 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 13.34 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 13.29 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 14.31 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 14.30 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 14.29 H -ATOM 62 HB1 ALA A 4 7.976 -14.199 12.734 1.00 14.32 H -ATOM 63 HB2 ALA A 4 8.967 -13.600 14.063 1.00 14.34 H -ATOM 64 HB3 ALA A 4 9.018 -15.307 13.625 1.00 14.64 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 12.98 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 12.48 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 11.62 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 11.76 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 12.81 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 13.36 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 13.57 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 13.93 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 14.23 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 14.47 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 13.15 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 12.71 H -ATOM 77 HB2 HIS A 5 5.398 -10.987 16.023 1.00 13.05 H -ATOM 78 HB3 HIS A 5 5.620 -10.307 17.636 1.00 12.61 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 13.40 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 14.07 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 14.63 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 10.90 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 10.21 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 9.43 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 9.32 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 10.37 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 10.53 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 10.58 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 10.88 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 10.97 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 11.15 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 10.94 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 10.38 H -ATOM 94 HB2 HIS A 6 4.112 -14.086 20.125 1.00 10.69 H -ATOM 95 HB3 HIS A 6 3.498 -13.599 21.705 1.00 10.30 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 10.50 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 11.09 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 11.25 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 9.11 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 8.55 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 7.46 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 7.39 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 8.98 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 9.76 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 10.29 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 10.19 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 11.19 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 11.10 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 11.57 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 9.39 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 8.86 H -ATOM 112 HB2 PHE A 7 6.719 -11.356 23.478 1.00 9.18 H -ATOM 113 HB3 PHE A 7 6.504 -10.028 24.620 1.00 8.77 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 10.16 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 9.98 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 11.72 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 11.57 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 12.35 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 6.86 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 6.01 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 5.07 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 5.28 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 6.54 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 7.08 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 7.15 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 6.02 H -ATOM 127 HB2 SER A 8 5.982 -5.131 23.882 1.00 6.79 H -ATOM 128 HB3 SER A 8 6.431 -6.722 24.489 1.00 6.61 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 7.42 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 4.41 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 3.84 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 2.84 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 3.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 4.55 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 5.41 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 6.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 6.49 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 6.28 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 4.61 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 4.12 H -ATOM 141 HB2 GLU A 9 2.341 -2.961 21.018 1.00 4.86 H -ATOM 142 HB3 GLU A 9 1.671 -3.768 19.600 1.00 4.60 H -ATOM 143 HG2 GLU A 9 1.236 -5.716 21.372 1.00 5.70 H -ATOM 144 HG3 GLU A 9 1.243 -4.358 22.497 1.00 5.72 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 2.18 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 1.51 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 1.23 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 1.13 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 1.87 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 2.49 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 2.65 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 1.77 H -ATOM 153 HB2 PRO A 10 6.953 -4.952 16.355 1.00 2.10 H -ATOM 154 HB3 PRO A 10 8.045 -5.214 17.721 1.00 2.10 H -ATOM 155 HG2 PRO A 10 5.833 -6.875 16.885 1.00 3.08 H -ATOM 156 HG3 PRO A 10 6.947 -7.145 18.231 1.00 2.65 H -ATOM 157 HD2 PRO A 10 4.185 -6.357 18.373 1.00 3.25 H -ATOM 158 HD3 PRO A 10 5.319 -6.583 19.720 1.00 2.87 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 1.29 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 1.13 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 1.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.97 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 1.32 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 1.94 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 2.47 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 2.89 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 3.01 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 1.55 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 1.09 H -ATOM 170 HB2 GLU A 11 6.853 0.714 17.318 1.00 1.69 H -ATOM 171 HB3 GLU A 11 5.609 1.467 16.319 1.00 1.69 H -ATOM 172 HG2 GLU A 11 4.765 2.151 18.324 1.00 2.39 H -ATOM 173 HG3 GLU A 11 4.094 0.521 18.377 1.00 2.45 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 0.99 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 0.91 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 0.80 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 0.74 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 1.03 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 1.05 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 1.28 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 1.48 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 1.08 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 0.89 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 1.22 H -ATOM 185 HG12 ILE A 12 10.822 -2.356 12.586 1.00 1.37 H -ATOM 186 HG13 ILE A 12 9.246 -2.212 11.808 1.00 1.18 H -ATOM 187 HG21 ILE A 12 8.799 -3.329 15.413 1.00 1.67 H -ATOM 188 HG22 ILE A 12 9.003 -3.984 13.789 1.00 1.67 H -ATOM 189 HG23 ILE A 12 10.412 -3.455 14.709 1.00 1.72 H -ATOM 190 HD11 ILE A 12 9.686 0.312 12.896 1.00 1.86 H -ATOM 191 HD12 ILE A 12 11.267 -0.160 12.271 1.00 2.05 H -ATOM 192 HD13 ILE A 12 9.868 -0.129 11.198 1.00 1.87 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 0.81 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 0.76 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 0.68 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 0.62 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 0.86 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 1.35 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 1.19 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 0.89 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 0.74 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 1.13 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 1.84 H -ATOM 204 HG21 THR A 13 7.912 -5.721 14.906 1.00 1.65 H -ATOM 205 HG22 THR A 13 7.125 -7.157 15.562 1.00 1.61 H -ATOM 206 HG23 THR A 13 7.690 -7.146 13.891 1.00 1.72 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 0.72 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 0.69 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 0.58 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 0.50 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 0.82 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 0.88 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 0.87 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 1.02 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 0.80 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 0.67 H -ATOM 217 HB2 LEU A 14 2.089 -3.078 14.913 1.00 1.22 H -ATOM 218 HB3 LEU A 14 2.151 -1.562 14.014 1.00 0.83 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 1.30 H -ATOM 220 HD11 LEU A 14 0.237 -1.411 15.384 1.00 1.27 H -ATOM 221 HD12 LEU A 14 -0.667 -0.852 13.975 1.00 1.28 H -ATOM 222 HD13 LEU A 14 -1.284 -2.190 14.946 1.00 1.34 H -ATOM 223 HD21 LEU A 14 0.664 -1.509 11.922 1.00 1.44 H -ATOM 224 HD22 LEU A 14 0.400 -3.222 11.594 1.00 1.64 H -ATOM 225 HD23 LEU A 14 -0.954 -2.195 12.067 1.00 1.43 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 0.62 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 0.57 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 0.45 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 0.38 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 0.69 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 0.91 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 0.76 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 1.10 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 0.71 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 0.58 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 0.63 H -ATOM 237 HG12 ILE A 15 3.818 2.192 11.913 1.00 0.92 H -ATOM 238 HG13 ILE A 15 4.088 0.846 13.021 1.00 0.98 H -ATOM 239 HG21 ILE A 15 4.408 1.911 9.510 1.00 1.24 H -ATOM 240 HG22 ILE A 15 5.973 2.324 10.211 1.00 1.27 H -ATOM 241 HG23 ILE A 15 5.828 0.933 9.136 1.00 1.35 H -ATOM 242 HD11 ILE A 15 6.365 2.600 12.102 1.00 1.66 H -ATOM 243 HD12 ILE A 15 5.370 3.040 13.490 1.00 1.56 H -ATOM 244 HD13 ILE A 15 6.296 1.540 13.509 1.00 1.37 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 0.44 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 0.36 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 0.28 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 0.25 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 0.39 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 1.21 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 1.18 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 1.58 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 0.50 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 0.38 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 0.83 H -ATOM 256 HG12 ILE A 16 8.516 -2.734 8.425 1.00 1.92 H -ATOM 257 HG13 ILE A 16 7.901 -2.381 10.039 1.00 1.86 H -ATOM 258 HG21 ILE A 16 6.422 -4.757 7.065 1.00 1.76 H -ATOM 259 HG22 ILE A 16 8.112 -4.844 7.561 1.00 1.82 H -ATOM 260 HG23 ILE A 16 6.926 -5.934 8.278 1.00 1.61 H -ATOM 261 HD11 ILE A 16 9.211 -5.008 9.297 1.00 2.05 H -ATOM 262 HD12 ILE A 16 10.086 -3.653 10.011 1.00 2.07 H -ATOM 263 HD13 ILE A 16 8.792 -4.441 10.913 1.00 2.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 0.31 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 0.32 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 0.30 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 0.30 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 0.41 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 0.80 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 1.52 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 1.66 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 1.97 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 2.09 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 1.95 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 0.36 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 0.32 H -ATOM 277 HB2 PHE A 17 1.924 -4.887 10.445 1.00 0.65 H -ATOM 278 HB3 PHE A 17 0.791 -5.706 9.371 1.00 0.64 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 2.18 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 2.34 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 2.73 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 2.89 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 2.41 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 0.31 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 0.32 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 0.26 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 0.26 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 0.34 H -ATOM 289 HA2 GLY A 18 -0.474 -2.475 7.247 1.00 0.36 H -ATOM 290 HA3 GLY A 18 0.438 -1.089 7.852 1.00 0.35 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 0.23 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 0.22 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 0.21 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 0.22 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 0.24 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 0.28 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 0.28 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 0.24 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 0.24 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 0.25 H -ATOM 301 HG11 VAL A 19 4.415 -1.047 2.547 1.00 1.07 H -ATOM 302 HG12 VAL A 19 5.461 0.194 3.239 1.00 1.05 H -ATOM 303 HG13 VAL A 19 5.986 -1.490 3.217 1.00 1.05 H -ATOM 304 HG21 VAL A 19 3.803 0.365 6.153 1.00 1.03 H -ATOM 305 HG22 VAL A 19 5.539 0.058 6.204 1.00 1.10 H -ATOM 306 HG23 VAL A 19 4.857 1.053 4.918 1.00 1.03 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 0.22 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 0.25 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 0.27 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 0.28 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 0.29 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 0.36 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 1.07 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 1.70 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 0.22 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 0.26 H -ATOM 317 HB2 MET A 20 2.699 -6.028 5.370 1.00 0.33 H -ATOM 318 HB3 MET A 20 2.828 -7.082 3.961 1.00 0.34 H -ATOM 319 HG2 MET A 20 5.189 -5.878 3.715 1.00 0.70 H -ATOM 320 HG3 MET A 20 4.982 -5.632 5.449 1.00 0.72 H -ATOM 321 HE1 MET A 20 6.970 -6.893 3.720 1.00 2.15 H -ATOM 322 HE2 MET A 20 7.575 -7.912 5.023 1.00 2.21 H -ATOM 323 HE3 MET A 20 7.014 -8.650 3.525 1.00 2.23 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 0.28 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 0.32 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 0.30 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 0.30 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 0.37 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 0.29 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 0.34 H -ATOM 331 HB1 ALA A 21 -1.239 -4.012 5.520 1.00 1.10 H -ATOM 332 HB2 ALA A 21 -2.636 -3.839 4.453 1.00 1.10 H -ATOM 333 HB3 ALA A 21 -2.282 -5.395 5.202 1.00 1.06 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 0.28 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 0.27 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 0.23 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 0.23 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 0.28 H -ATOM 339 HA2 GLY A 22 -2.114 -1.684 1.151 1.00 0.30 H -ATOM 340 HA3 GLY A 22 -0.545 -0.911 1.393 1.00 0.28 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 0.21 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 0.19 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 0.20 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 0.19 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 0.22 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 0.28 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 0.27 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 0.21 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 0.19 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 0.26 H -ATOM 351 HG11 VAL A 23 2.853 -4.691 -2.941 1.00 1.04 H -ATOM 352 HG12 VAL A 23 4.186 -5.263 -1.938 1.00 1.03 H -ATOM 353 HG13 VAL A 23 2.639 -6.110 -1.917 1.00 1.04 H -ATOM 354 HG21 VAL A 23 3.137 -2.160 -0.938 1.00 1.09 H -ATOM 355 HG22 VAL A 23 3.944 -3.044 0.357 1.00 1.03 H -ATOM 356 HG23 VAL A 23 4.479 -3.241 -1.311 1.00 1.03 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 0.23 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 0.27 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 0.27 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 0.28 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 0.33 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 0.67 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 0.75 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 1.20 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 0.25 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 0.28 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 0.41 H -ATOM 368 HG12 ILE A 24 0.622 -7.270 1.018 1.00 1.29 H -ATOM 369 HG13 ILE A 24 -0.359 -8.393 1.961 1.00 1.22 H -ATOM 370 HG21 ILE A 24 -2.186 -8.949 -1.123 1.00 1.13 H -ATOM 371 HG22 ILE A 24 -2.016 -9.569 0.518 1.00 1.25 H -ATOM 372 HG23 ILE A 24 -3.316 -8.443 0.133 1.00 1.43 H -ATOM 373 HD11 ILE A 24 0.259 -9.084 -0.886 1.00 1.91 H -ATOM 374 HD12 ILE A 24 1.524 -9.294 0.324 1.00 1.60 H -ATOM 375 HD13 ILE A 24 -0.008 -10.152 0.492 1.00 1.67 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 0.29 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 0.33 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 0.30 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 0.33 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 0.30 H -ATOM 381 HA2 GLY A 25 -4.875 -5.493 -1.780 1.00 0.38 H -ATOM 382 HA3 GLY A 25 -4.454 -3.864 -1.246 1.00 0.37 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 0.25 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 0.25 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 0.26 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 0.32 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 0.24 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 0.34 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 0.31 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 0.24 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 0.31 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 0.22 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 0.40 H -ATOM 394 HG21 THR A 26 -1.096 -2.740 -6.946 1.00 1.10 H -ATOM 395 HG22 THR A 26 -1.145 -1.045 -6.461 1.00 0.98 H -ATOM 396 HG23 THR A 26 0.365 -1.948 -6.355 1.00 1.03 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 0.24 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 0.33 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 0.39 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 0.47 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 0.37 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 0.39 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 0.47 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 0.49 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 0.22 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 0.38 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 0.37 H -ATOM 408 HG12 ILE A 27 1.339 -6.927 -5.942 1.00 0.46 H -ATOM 409 HG13 ILE A 27 0.881 -6.243 -4.383 1.00 0.38 H -ATOM 410 HG21 ILE A 27 -0.940 -8.941 -6.843 1.00 1.04 H -ATOM 411 HG22 ILE A 27 0.575 -9.321 -6.021 1.00 1.19 H -ATOM 412 HG23 ILE A 27 -0.964 -9.778 -5.290 1.00 1.15 H -ATOM 413 HD11 ILE A 27 1.140 -8.798 -3.625 1.00 1.14 H -ATOM 414 HD12 ILE A 27 2.251 -8.821 -4.994 1.00 1.07 H -ATOM 415 HD13 ILE A 27 2.516 -7.696 -3.661 1.00 1.21 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 0.39 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 0.49 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 0.53 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 0.62 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 0.53 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 0.59 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 0.68 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 0.65 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 0.34 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 0.55 H -ATOM 426 HB2 LEU A 28 -5.894 -8.926 -3.958 1.00 0.60 H -ATOM 427 HB3 LEU A 28 -5.177 -7.372 -3.555 1.00 0.54 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 0.61 H -ATOM 429 HD11 LEU A 28 -7.500 -8.412 -6.265 1.00 1.18 H -ATOM 430 HD12 LEU A 28 -8.217 -9.045 -4.783 1.00 1.37 H -ATOM 431 HD13 LEU A 28 -8.919 -7.630 -5.568 1.00 1.06 H -ATOM 432 HD21 LEU A 28 -7.123 -7.383 -2.373 1.00 1.31 H -ATOM 433 HD22 LEU A 28 -7.850 -5.908 -3.009 1.00 1.06 H -ATOM 434 HD23 LEU A 28 -8.716 -7.440 -3.126 1.00 1.25 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 0.49 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 0.57 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 0.60 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 0.71 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 0.56 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 1.24 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 1.76 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 1.92 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 0.44 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 0.65 H -ATOM 445 HB2 LEU A 29 -6.215 -3.323 -6.439 1.00 0.97 H -ATOM 446 HB3 LEU A 29 -4.897 -3.312 -7.612 1.00 0.94 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 1.94 H -ATOM 448 HD11 LEU A 29 -8.540 -3.723 -7.684 1.00 2.23 H -ATOM 449 HD12 LEU A 29 -8.337 -2.085 -7.062 1.00 2.17 H -ATOM 450 HD13 LEU A 29 -8.885 -2.338 -8.720 1.00 2.19 H -ATOM 451 HD21 LEU A 29 -5.702 -1.076 -7.551 1.00 2.33 H -ATOM 452 HD22 LEU A 29 -5.634 -1.142 -9.312 1.00 2.54 H -ATOM 453 HD23 LEU A 29 -7.102 -0.590 -8.507 1.00 2.27 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 0.55 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 0.65 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 0.75 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 0.87 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 0.63 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 0.58 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 0.75 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 0.66 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 0.47 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 0.70 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 0.62 H -ATOM 465 HG12 ILE A 30 -1.532 -3.865 -10.561 1.00 0.65 H -ATOM 466 HG13 ILE A 30 -2.187 -4.150 -8.948 1.00 0.53 H -ATOM 467 HG21 ILE A 30 -1.985 -6.973 -12.031 1.00 1.21 H -ATOM 468 HG22 ILE A 30 -1.135 -5.428 -12.049 1.00 1.08 H -ATOM 469 HG23 ILE A 30 -0.418 -6.820 -11.236 1.00 1.31 H -ATOM 470 HD11 ILE A 30 0.153 -5.717 -9.113 1.00 0.98 H -ATOM 471 HD12 ILE A 30 0.572 -4.152 -9.807 1.00 1.16 H -ATOM 472 HD13 ILE A 30 -0.077 -4.245 -8.170 1.00 1.31 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 0.73 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 0.87 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 0.94 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 1.07 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 0.86 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 1.29 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 0.65 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 0.95 H -ATOM 481 HB2 SER A 31 -5.370 -10.056 -8.498 1.00 1.00 H -ATOM 482 HB3 SER A 31 -5.009 -11.426 -9.544 1.00 1.28 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 1.40 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 0.89 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 1.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 1.05 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 1.18 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 0.96 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 1.27 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 1.62 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 2.13 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 1.95 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 2.53 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 2.15 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 2.64 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 0.80 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 1.09 H -ATOM 498 HB2 TYR A 32 -8.430 -7.136 -9.298 1.00 0.96 H -ATOM 499 HB3 TYR A 32 -9.525 -6.790 -10.637 1.00 1.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 2.19 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 2.77 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 2.53 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 3.38 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 2.82 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 0.97 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 1.05 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 1.16 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 1.29 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 0.88 H -ATOM 510 HA2 GLY A 33 -8.117 -5.739 -14.121 1.00 1.11 H -ATOM 511 HA3 GLY A 33 -6.458 -5.315 -13.695 1.00 0.99 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 1.14 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 1.29 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 1.41 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 1.55 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 1.28 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 1.74 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 1.77 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 2.19 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 1.05 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 1.35 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 1.42 H -ATOM 523 HG12 ILE A 34 -1.999 -10.456 -15.325 1.00 2.09 H -ATOM 524 HG13 ILE A 34 -3.181 -10.328 -16.627 1.00 2.18 H -ATOM 525 HG21 ILE A 34 -5.179 -10.909 -13.539 1.00 2.04 H -ATOM 526 HG22 ILE A 34 -4.623 -11.650 -15.037 1.00 2.31 H -ATOM 527 HG23 ILE A 34 -3.521 -11.490 -13.669 1.00 2.25 H -ATOM 528 HD11 ILE A 34 -2.685 -7.706 -15.563 1.00 2.56 H -ATOM 529 HD12 ILE A 34 -1.143 -8.469 -15.951 1.00 2.60 H -ATOM 530 HD13 ILE A 34 -2.383 -8.305 -17.194 1.00 2.54 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 1.37 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 1.51 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 1.58 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 1.73 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 1.46 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 1.73 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 2.03 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 2.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 2.45 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 2.76 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 3.14 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 1.27 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 1.61 H -ATOM 544 HB2 ARG A 35 -9.198 -10.745 -13.492 1.00 1.77 H -ATOM 545 HB3 ARG A 35 -9.683 -12.271 -14.231 1.00 1.58 H -ATOM 546 HG2 ARG A 35 -7.086 -12.805 -13.528 1.00 2.15 H -ATOM 547 HG3 ARG A 35 -7.595 -11.740 -12.217 1.00 2.19 H -ATOM 548 HD2 ARG A 35 -9.040 -14.248 -13.124 1.00 2.45 H -ATOM 549 HD3 ARG A 35 -8.082 -14.083 -11.654 1.00 2.48 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 2.02 H -ATOM 551 HH11 ARG A 35 -9.859 -14.556 -9.703 1.00 2.90 H -ATOM 552 HH12 ARG A 35 -11.448 -15.205 -9.938 1.00 3.21 H -ATOM 553 HH21 ARG A 35 -12.104 -13.285 -12.750 1.00 3.41 H -ATOM 554 HH22 ARG A 35 -12.718 -14.485 -11.664 1.00 3.66 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 1.50 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 1.59 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 1.69 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 1.84 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 1.50 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 1.77 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 2.23 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 2.70 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 3.07 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 3.56 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 3.58 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 1.38 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 1.68 H -ATOM 568 HB2 ARG A 36 -10.779 -7.278 -15.456 1.00 1.51 H -ATOM 569 HB3 ARG A 36 -9.608 -6.688 -16.636 1.00 1.60 H -ATOM 570 HG2 ARG A 36 -12.155 -7.451 -17.863 1.00 2.13 H -ATOM 571 HG3 ARG A 36 -12.332 -6.162 -16.671 1.00 1.96 H -ATOM 572 HD2 ARG A 36 -10.210 -6.099 -18.826 1.00 2.56 H -ATOM 573 HD3 ARG A 36 -11.815 -5.407 -19.056 1.00 2.57 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 3.18 H -ATOM 575 HH11 ARG A 36 -13.078 -4.084 -17.544 1.00 3.68 H -ATOM 576 HH12 ARG A 36 -13.145 -3.509 -15.912 1.00 4.16 H -ATOM 577 HH21 ARG A 36 -9.726 -3.783 -15.397 1.00 3.74 H -ATOM 578 HH22 ARG A 36 -11.245 -3.340 -14.696 1.00 4.16 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 1.64 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 1.75 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 1.91 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 2.05 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 1.69 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 2.11 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 2.66 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 2.38 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 1.52 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 1.80 H -ATOM 589 HB2 LEU A 37 -5.966 -7.837 -18.456 1.00 1.91 H -ATOM 590 HB3 LEU A 37 -5.533 -8.744 -19.906 1.00 1.94 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 2.63 H -ATOM 592 HD11 LEU A 37 -4.064 -6.727 -19.047 1.00 2.82 H -ATOM 593 HD12 LEU A 37 -3.993 -5.574 -20.379 1.00 3.15 H -ATOM 594 HD13 LEU A 37 -4.941 -5.201 -18.939 1.00 3.10 H -ATOM 595 HD21 LEU A 37 -5.208 -7.960 -21.816 1.00 2.77 H -ATOM 596 HD22 LEU A 37 -6.460 -6.812 -22.291 1.00 2.87 H -ATOM 597 HD23 LEU A 37 -4.798 -6.264 -22.075 1.00 2.45 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 1.90 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 2.06 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 2.14 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 2.20 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 2.05 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 1.98 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 2.03 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 2.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 1.79 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 2.15 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 2.14 H -ATOM 609 HG12 ILE A 38 -6.130 -12.131 -17.575 1.00 2.00 H -ATOM 610 HG13 ILE A 38 -7.854 -12.431 -17.787 1.00 2.02 H -ATOM 611 HG21 ILE A 38 -5.064 -12.654 -20.840 1.00 2.39 H -ATOM 612 HG22 ILE A 38 -4.829 -11.923 -19.253 1.00 2.15 H -ATOM 613 HG23 ILE A 38 -4.576 -13.653 -19.472 1.00 2.23 H -ATOM 614 HD11 ILE A 38 -6.918 -14.975 -17.874 1.00 2.36 H -ATOM 615 HD12 ILE A 38 -5.726 -14.244 -16.797 1.00 2.19 H -ATOM 616 HD13 ILE A 38 -7.440 -14.188 -16.384 1.00 2.20 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 2.35 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 2.45 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 2.85 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 3.21 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 2.30 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 2.60 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 2.94 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 3.56 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 3.91 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 2.55 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 2.58 H -ATOM 628 HB2 LYS A 39 -10.925 -12.317 -18.174 1.00 2.10 H -ATOM 629 HB3 LYS A 39 -12.241 -12.564 -19.322 1.00 2.50 H -ATOM 630 HG2 LYS A 39 -13.333 -13.280 -17.434 1.00 2.77 H -ATOM 631 HG3 LYS A 39 -12.536 -14.799 -17.847 1.00 3.02 H -ATOM 632 HD2 LYS A 39 -10.655 -13.253 -16.383 1.00 3.26 H -ATOM 633 HD3 LYS A 39 -12.182 -13.178 -15.502 1.00 3.12 H -ATOM 634 HE2 LYS A 39 -11.451 -15.848 -16.555 1.00 3.96 H -ATOM 635 HE3 LYS A 39 -10.421 -15.233 -15.264 1.00 3.92 H -ATOM 636 HZ1 LYS A 39 -12.927 -14.629 -14.421 1.00 4.13 H -ATOM 637 HZ2 LYS A 39 -13.138 -16.142 -15.155 1.00 4.14 H -ATOM 638 HZ3 LYS A 39 -12.006 -15.958 -13.903 1.00 4.20 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 3.09 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 3.63 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 4.10 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 4.56 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 3.99 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 4.58 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 5.25 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 6.09 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 6.53 N -ATOM 648 OXT LYS A 40 -11.590 -16.543 -22.385 1.00 4.44 O -ATOM 649 H LYS A 40 -13.071 -14.674 -20.158 1.00 3.09 H -ATOM 650 HA LYS A 40 -14.161 -14.866 -22.232 1.00 3.93 H -ATOM 651 HB2 LYS A 40 -12.896 -12.596 -22.527 1.00 4.02 H -ATOM 652 HB3 LYS A 40 -11.810 -13.532 -23.555 1.00 4.35 H -ATOM 653 HG2 LYS A 40 -14.260 -14.362 -24.459 1.00 5.09 H -ATOM 654 HG3 LYS A 40 -14.590 -12.679 -24.047 1.00 4.47 H -ATOM 655 HD2 LYS A 40 -12.982 -11.863 -25.553 1.00 5.25 H -ATOM 656 HD3 LYS A 40 -12.135 -13.407 -25.630 1.00 5.52 H -ATOM 657 HE2 LYS A 40 -13.445 -12.989 -27.691 1.00 6.55 H -ATOM 658 HE3 LYS A 40 -14.035 -14.409 -26.826 1.00 6.28 H -ATOM 659 HZ1 LYS A 40 -15.575 -12.667 -25.695 1.00 6.71 H -ATOM 660 HZ2 LYS A 40 -15.258 -11.752 -27.090 1.00 6.79 H -ATOM 661 HZ3 LYS A 40 -15.972 -13.285 -27.228 1.00 6.75 H -ATOM 662 N VAL A 41 10.922 3.839 1.467 1.00 19.64 N -ATOM 663 CA VAL A 41 10.922 2.946 2.660 1.00 19.45 C -ATOM 664 C VAL A 41 11.924 3.470 3.690 1.00 18.79 C -ATOM 665 O VAL A 41 12.858 2.788 4.065 1.00 19.02 O -ATOM 666 CB VAL A 41 11.319 1.531 2.237 1.00 19.77 C -ATOM 667 CG1 VAL A 41 12.773 1.530 1.761 1.00 20.22 C -ATOM 668 CG2 VAL A 41 11.175 0.584 3.430 1.00 19.99 C -ATOM 669 H1 VAL A 41 11.602 4.612 1.611 1.00 19.83 H -ATOM 670 H2 VAL A 41 11.192 3.290 0.625 1.00 19.55 H -ATOM 671 H3 VAL A 41 9.971 4.237 1.331 1.00 19.78 H -ATOM 672 HA VAL A 41 9.934 2.928 3.095 1.00 19.68 H -ATOM 673 HB VAL A 41 10.677 1.202 1.432 1.00 19.65 H -ATOM 674 HG11 VAL A 41 13.082 2.542 1.546 1.00 20.58 H -ATOM 675 HG12 VAL A 41 13.404 1.118 2.534 1.00 20.10 H -ATOM 676 HG13 VAL A 41 12.859 0.930 0.867 1.00 20.40 H -ATOM 677 HG21 VAL A 41 10.220 0.749 3.907 1.00 20.15 H -ATOM 678 HG22 VAL A 41 11.233 -0.439 3.087 1.00 19.89 H -ATOM 679 HG23 VAL A 41 11.968 0.772 4.137 1.00 20.21 H -ATOM 680 N GLN A 42 11.741 4.678 4.152 1.00 18.10 N -ATOM 681 CA GLN A 42 12.685 5.241 5.159 1.00 17.56 C -ATOM 682 C GLN A 42 12.590 4.431 6.454 1.00 16.86 C -ATOM 683 O GLN A 42 11.536 3.947 6.817 1.00 16.59 O -ATOM 684 CB GLN A 42 12.323 6.702 5.444 1.00 17.30 C -ATOM 685 CG GLN A 42 12.678 7.573 4.235 1.00 17.01 C -ATOM 686 CD GLN A 42 14.098 7.249 3.768 1.00 16.75 C -ATOM 687 OE1 GLN A 42 14.289 6.722 2.689 1.00 17.03 O -ATOM 688 NE2 GLN A 42 15.109 7.543 4.538 1.00 16.36 N -ATOM 689 H GLN A 42 10.982 5.213 3.838 1.00 18.01 H -ATOM 690 HA GLN A 42 13.693 5.187 4.776 1.00 18.00 H -ATOM 691 HB2 GLN A 42 11.263 6.777 5.642 1.00 17.10 H -ATOM 692 HB3 GLN A 42 12.873 7.046 6.307 1.00 17.65 H -ATOM 693 HG2 GLN A 42 11.980 7.380 3.433 1.00 17.14 H -ATOM 694 HG3 GLN A 42 12.623 8.615 4.516 1.00 17.03 H -ATOM 695 HE21 GLN A 42 14.955 7.968 5.408 1.00 16.23 H -ATOM 696 HE22 GLN A 42 16.022 7.339 4.248 1.00 16.27 H -ATOM 697 N LEU A 43 13.683 4.279 7.151 1.00 16.69 N -ATOM 698 CA LEU A 43 13.652 3.498 8.420 1.00 16.15 C -ATOM 699 C LEU A 43 14.482 4.216 9.485 1.00 15.61 C -ATOM 700 O LEU A 43 14.705 3.701 10.563 1.00 15.57 O -ATOM 701 CB LEU A 43 14.237 2.106 8.175 1.00 16.73 C -ATOM 702 CG LEU A 43 13.415 1.065 8.934 1.00 16.88 C -ATOM 703 CD1 LEU A 43 11.964 1.106 8.452 1.00 17.47 C -ATOM 704 CD2 LEU A 43 13.997 -0.328 8.679 1.00 17.27 C -ATOM 705 H LEU A 43 14.523 4.675 6.840 1.00 17.00 H -ATOM 706 HA LEU A 43 12.632 3.404 8.760 1.00 15.90 H -ATOM 707 HB2 LEU A 43 14.211 1.886 7.117 1.00 17.22 H -ATOM 708 HB3 LEU A 43 15.259 2.080 8.523 1.00 16.67 H -ATOM 709 HG LEU A 43 13.449 1.282 9.993 1.00 16.46 H -ATOM 710 HD11 LEU A 43 11.922 1.571 7.477 1.00 17.89 H -ATOM 711 HD12 LEU A 43 11.577 0.100 8.388 1.00 17.56 H -ATOM 712 HD13 LEU A 43 11.369 1.676 9.149 1.00 17.50 H -ATOM 713 HD21 LEU A 43 15.044 -0.240 8.430 1.00 17.31 H -ATOM 714 HD22 LEU A 43 13.887 -0.932 9.567 1.00 17.40 H -ATOM 715 HD23 LEU A 43 13.470 -0.794 7.859 1.00 17.53 H -ATOM 716 N ALA A 44 14.945 5.401 9.196 1.00 15.34 N -ATOM 717 CA ALA A 44 15.760 6.146 10.196 1.00 14.99 C -ATOM 718 C ALA A 44 14.835 6.805 11.222 1.00 14.10 C -ATOM 719 O ALA A 44 15.270 7.261 12.261 1.00 13.96 O -ATOM 720 CB ALA A 44 16.585 7.221 9.486 1.00 15.58 C -ATOM 721 H ALA A 44 14.757 5.802 8.321 1.00 15.48 H -ATOM 722 HA ALA A 44 16.423 5.457 10.700 1.00 15.10 H -ATOM 723 HB1 ALA A 44 16.074 7.530 8.586 1.00 15.78 H -ATOM 724 HB2 ALA A 44 16.707 8.071 10.141 1.00 15.78 H -ATOM 725 HB3 ALA A 44 17.555 6.821 9.231 1.00 15.73 H -ATOM 726 N HIS A 45 13.561 6.858 10.937 1.00 13.65 N -ATOM 727 CA HIS A 45 12.602 7.485 11.894 1.00 12.91 C -ATOM 728 C HIS A 45 12.691 9.009 11.785 1.00 12.30 C -ATOM 729 O HIS A 45 13.696 9.608 12.110 1.00 12.38 O -ATOM 730 CB HIS A 45 12.948 7.057 13.321 1.00 12.96 C -ATOM 731 CG HIS A 45 11.681 6.764 14.080 1.00 13.34 C -ATOM 732 ND1 HIS A 45 11.040 5.538 14.002 1.00 13.54 N -ATOM 733 CD2 HIS A 45 10.926 7.528 14.935 1.00 13.74 C -ATOM 734 CE1 HIS A 45 9.951 5.599 14.791 1.00 14.03 C -ATOM 735 NE2 HIS A 45 9.835 6.791 15.383 1.00 14.18 N -ATOM 736 H HIS A 45 13.233 6.483 10.094 1.00 13.88 H -ATOM 737 HA HIS A 45 11.598 7.166 11.656 1.00 12.98 H -ATOM 738 HB2 HIS A 45 13.562 6.168 13.291 1.00 13.11 H -ATOM 739 HB3 HIS A 45 13.486 7.851 13.815 1.00 12.79 H -ATOM 740 HD1 HIS A 45 11.326 4.766 13.471 1.00 13.46 H -ATOM 741 HD2 HIS A 45 11.148 8.546 15.218 1.00 13.85 H -ATOM 742 HE1 HIS A 45 9.257 4.783 14.931 1.00 14.39 H -ATOM 743 N HIS A 46 11.642 9.641 11.330 1.00 11.87 N -ATOM 744 CA HIS A 46 11.663 11.126 11.202 1.00 11.46 C -ATOM 745 C HIS A 46 10.453 11.584 10.386 1.00 10.55 C -ATOM 746 O HIS A 46 10.539 12.499 9.591 1.00 10.53 O -ATOM 747 CB HIS A 46 12.947 11.562 10.496 1.00 11.84 C -ATOM 748 CG HIS A 46 13.878 12.195 11.493 1.00 12.35 C -ATOM 749 ND1 HIS A 46 15.168 11.734 11.697 1.00 12.68 N -ATOM 750 CD2 HIS A 46 13.718 13.256 12.350 1.00 12.80 C -ATOM 751 CE1 HIS A 46 15.731 12.506 12.643 1.00 13.29 C -ATOM 752 NE2 HIS A 46 14.890 13.450 13.076 1.00 13.39 N -ATOM 753 H HIS A 46 10.841 9.139 11.075 1.00 11.95 H -ATOM 754 HA HIS A 46 11.623 11.573 12.185 1.00 11.76 H -ATOM 755 HB2 HIS A 46 13.425 10.700 10.053 1.00 11.94 H -ATOM 756 HB3 HIS A 46 12.708 12.277 9.722 1.00 11.86 H -ATOM 757 HD1 HIS A 46 15.594 10.982 11.234 1.00 12.63 H -ATOM 758 HD2 HIS A 46 12.821 13.848 12.447 1.00 12.83 H -ATOM 759 HE1 HIS A 46 16.739 12.379 13.009 1.00 13.77 H -ATOM 760 N PHE A 47 9.325 10.955 10.575 1.00 10.00 N -ATOM 761 CA PHE A 47 8.112 11.355 9.808 1.00 9.29 C -ATOM 762 C PHE A 47 6.882 11.261 10.712 1.00 8.27 C -ATOM 763 O PHE A 47 6.497 12.218 11.354 1.00 8.29 O -ATOM 764 CB PHE A 47 7.938 10.421 8.609 1.00 9.52 C -ATOM 765 CG PHE A 47 8.436 11.107 7.359 1.00 10.43 C -ATOM 766 CD1 PHE A 47 9.807 11.315 7.173 1.00 10.86 C -ATOM 767 CD2 PHE A 47 7.524 11.534 6.387 1.00 11.07 C -ATOM 768 CE1 PHE A 47 10.268 11.950 6.014 1.00 11.86 C -ATOM 769 CE2 PHE A 47 7.985 12.169 5.227 1.00 12.06 C -ATOM 770 CZ PHE A 47 9.357 12.377 5.040 1.00 12.43 C -ATOM 771 H PHE A 47 9.277 10.218 11.220 1.00 10.20 H -ATOM 772 HA PHE A 47 8.226 12.371 9.459 1.00 9.58 H -ATOM 773 HB2 PHE A 47 8.505 9.516 8.773 1.00 9.36 H -ATOM 774 HB3 PHE A 47 6.893 10.175 8.492 1.00 9.45 H -ATOM 775 HD1 PHE A 47 10.510 10.985 7.923 1.00 10.55 H -ATOM 776 HD2 PHE A 47 6.466 11.374 6.530 1.00 10.94 H -ATOM 777 HE1 PHE A 47 11.326 12.110 5.870 1.00 12.32 H -ATOM 778 HE2 PHE A 47 7.282 12.498 4.476 1.00 12.65 H -ATOM 779 HZ PHE A 47 9.712 12.867 4.145 1.00 13.28 H -ATOM 780 N SER A 48 6.261 10.114 10.769 1.00 7.61 N -ATOM 781 CA SER A 48 5.057 9.961 11.633 1.00 6.80 C -ATOM 782 C SER A 48 5.489 9.555 13.043 1.00 5.60 C -ATOM 783 O SER A 48 5.878 8.430 13.285 1.00 5.39 O -ATOM 784 CB SER A 48 4.145 8.883 11.047 1.00 7.36 C -ATOM 785 OG SER A 48 3.607 9.343 9.814 1.00 8.12 O -ATOM 786 H SER A 48 6.587 9.354 10.243 1.00 7.83 H -ATOM 787 HA SER A 48 4.523 10.899 11.676 1.00 6.96 H -ATOM 788 HB2 SER A 48 4.713 7.985 10.873 1.00 7.45 H -ATOM 789 HB3 SER A 48 3.345 8.672 11.745 1.00 7.39 H -ATOM 790 HG SER A 48 3.215 10.207 9.965 1.00 8.23 H -ATOM 791 N GLU A 49 5.424 10.465 13.977 1.00 5.12 N -ATOM 792 CA GLU A 49 5.831 10.134 15.371 1.00 4.22 C -ATOM 793 C GLU A 49 4.836 9.143 15.986 1.00 3.04 C -ATOM 794 O GLU A 49 5.227 8.092 16.453 1.00 3.18 O -ATOM 795 CB GLU A 49 5.867 11.414 16.210 1.00 4.88 C -ATOM 796 CG GLU A 49 7.321 11.828 16.447 1.00 5.77 C -ATOM 797 CD GLU A 49 7.751 12.827 15.371 1.00 6.71 C -ATOM 798 OE1 GLU A 49 7.075 13.831 15.219 1.00 7.29 O -ATOM 799 OE2 GLU A 49 8.748 12.570 14.716 1.00 7.09 O -ATOM 800 H GLU A 49 5.108 11.367 13.760 1.00 5.60 H -ATOM 801 HA GLU A 49 6.815 9.689 15.358 1.00 4.31 H -ATOM 802 HB2 GLU A 49 5.348 12.202 15.685 1.00 5.35 H -ATOM 803 HB3 GLU A 49 5.386 11.235 17.159 1.00 4.66 H -ATOM 804 HG2 GLU A 49 7.411 12.287 17.421 1.00 5.92 H -ATOM 805 HG3 GLU A 49 7.957 10.956 16.400 1.00 5.90 H -ATOM 806 N PRO A 50 3.576 9.506 15.974 1.00 2.28 N -ATOM 807 CA PRO A 50 2.512 8.653 16.536 1.00 1.48 C -ATOM 808 C PRO A 50 2.466 7.303 15.812 1.00 1.33 C -ATOM 809 O PRO A 50 2.901 7.176 14.683 1.00 1.29 O -ATOM 810 CB PRO A 50 1.213 9.437 16.302 1.00 2.00 C -ATOM 811 CG PRO A 50 1.588 10.778 15.622 1.00 2.71 C -ATOM 812 CD PRO A 50 3.110 10.785 15.405 1.00 2.87 C -ATOM 813 HA PRO A 50 2.666 8.508 17.594 1.00 1.64 H -ATOM 814 HB2 PRO A 50 0.555 8.868 15.659 1.00 2.42 H -ATOM 815 HB3 PRO A 50 0.728 9.633 17.245 1.00 2.16 H -ATOM 816 HG2 PRO A 50 1.081 10.861 14.671 1.00 3.49 H -ATOM 817 HG3 PRO A 50 1.310 11.603 16.260 1.00 2.78 H -ATOM 818 HD2 PRO A 50 3.333 10.836 14.349 1.00 3.66 H -ATOM 819 HD3 PRO A 50 3.561 11.612 15.930 1.00 3.03 H -ATOM 820 N GLU A 51 1.940 6.296 16.454 1.00 1.30 N -ATOM 821 CA GLU A 51 1.864 4.955 15.808 1.00 1.19 C -ATOM 822 C GLU A 51 0.907 5.007 14.616 1.00 1.06 C -ATOM 823 O GLU A 51 1.324 4.983 13.476 1.00 1.01 O -ATOM 824 CB GLU A 51 1.354 3.929 16.821 1.00 1.29 C -ATOM 825 CG GLU A 51 2.332 3.834 17.993 1.00 1.90 C -ATOM 826 CD GLU A 51 1.565 3.975 19.308 1.00 2.25 C -ATOM 827 OE1 GLU A 51 0.939 5.004 19.498 1.00 2.89 O -ATOM 828 OE2 GLU A 51 1.616 3.051 20.103 1.00 2.52 O -ATOM 829 H GLU A 51 1.595 6.422 17.362 1.00 1.39 H -ATOM 830 HA GLU A 51 2.847 4.664 15.467 1.00 1.17 H -ATOM 831 HB2 GLU A 51 0.383 4.236 17.185 1.00 1.78 H -ATOM 832 HB3 GLU A 51 1.270 2.963 16.345 1.00 1.39 H -ATOM 833 HG2 GLU A 51 2.831 2.876 17.966 1.00 2.21 H -ATOM 834 HG3 GLU A 51 3.063 4.624 17.917 1.00 2.64 H -ATOM 835 N ILE A 52 -0.374 5.068 14.874 1.00 1.07 N -ATOM 836 CA ILE A 52 -1.367 5.112 13.766 1.00 0.98 C -ATOM 837 C ILE A 52 -0.853 6.001 12.631 1.00 0.89 C -ATOM 838 O ILE A 52 -0.984 5.675 11.467 1.00 0.82 O -ATOM 839 CB ILE A 52 -2.692 5.662 14.302 1.00 1.09 C -ATOM 840 CG1 ILE A 52 -3.814 5.264 13.351 1.00 1.29 C -ATOM 841 CG2 ILE A 52 -2.627 7.189 14.409 1.00 1.27 C -ATOM 842 CD1 ILE A 52 -4.804 4.363 14.087 1.00 2.11 C -ATOM 843 H ILE A 52 -0.685 5.079 15.801 1.00 1.17 H -ATOM 844 HA ILE A 52 -1.525 4.111 13.392 1.00 0.94 H -ATOM 845 HB ILE A 52 -2.887 5.244 15.279 1.00 1.22 H -ATOM 846 HG12 ILE A 52 -4.320 6.151 13.000 1.00 1.49 H -ATOM 847 HG13 ILE A 52 -3.396 4.729 12.512 1.00 1.36 H -ATOM 848 HG21 ILE A 52 -1.726 7.475 14.929 1.00 1.79 H -ATOM 849 HG22 ILE A 52 -2.623 7.619 13.418 1.00 1.73 H -ATOM 850 HG23 ILE A 52 -3.487 7.549 14.953 1.00 1.50 H -ATOM 851 HD11 ILE A 52 -4.282 3.807 14.852 1.00 2.58 H -ATOM 852 HD12 ILE A 52 -5.573 4.969 14.544 1.00 2.56 H -ATOM 853 HD13 ILE A 52 -5.256 3.675 13.387 1.00 2.50 H -ATOM 854 N THR A 53 -0.268 7.118 12.958 1.00 0.92 N -ATOM 855 CA THR A 53 0.256 8.023 11.896 1.00 0.87 C -ATOM 856 C THR A 53 1.333 7.292 11.090 1.00 0.77 C -ATOM 857 O THR A 53 1.343 7.327 9.874 1.00 0.69 O -ATOM 858 CB THR A 53 0.847 9.286 12.533 1.00 0.99 C -ATOM 859 OG1 THR A 53 1.523 8.946 13.737 1.00 1.57 O -ATOM 860 CG2 THR A 53 -0.276 10.276 12.839 1.00 1.43 C -ATOM 861 H THR A 53 -0.170 7.363 13.901 1.00 1.01 H -ATOM 862 HA THR A 53 -0.554 8.302 11.237 1.00 0.85 H -ATOM 863 HB THR A 53 1.544 9.741 11.847 1.00 1.38 H -ATOM 864 HG1 THR A 53 1.591 7.992 13.783 1.00 1.99 H -ATOM 865 HG21 THR A 53 -1.138 10.041 12.234 1.00 1.95 H -ATOM 866 HG22 THR A 53 -0.541 10.209 13.884 1.00 1.96 H -ATOM 867 HG23 THR A 53 0.057 11.279 12.617 1.00 1.85 H -ATOM 868 N LEU A 54 2.250 6.639 11.749 1.00 0.81 N -ATOM 869 CA LEU A 54 3.319 5.923 10.997 1.00 0.74 C -ATOM 870 C LEU A 54 2.749 4.655 10.362 1.00 0.62 C -ATOM 871 O LEU A 54 2.981 4.385 9.202 1.00 0.52 O -ATOM 872 CB LEU A 54 4.460 5.541 11.947 1.00 0.87 C -ATOM 873 CG LEU A 54 5.801 5.645 11.214 1.00 1.11 C -ATOM 874 CD1 LEU A 54 6.877 4.911 12.016 1.00 1.02 C -ATOM 875 CD2 LEU A 54 5.685 5.009 9.825 1.00 1.63 C -ATOM 876 H LEU A 54 2.238 6.624 12.730 1.00 0.89 H -ATOM 877 HA LEU A 54 3.702 6.566 10.218 1.00 0.73 H -ATOM 878 HB2 LEU A 54 4.463 6.210 12.795 1.00 1.12 H -ATOM 879 HB3 LEU A 54 4.318 4.527 12.290 1.00 1.06 H -ATOM 880 HG LEU A 54 6.075 6.685 11.114 1.00 1.49 H -ATOM 881 HD11 LEU A 54 6.444 4.521 12.925 1.00 1.17 H -ATOM 882 HD12 LEU A 54 7.271 4.095 11.428 1.00 1.50 H -ATOM 883 HD13 LEU A 54 7.674 5.596 12.261 1.00 1.52 H -ATOM 884 HD21 LEU A 54 5.233 4.032 9.913 1.00 2.19 H -ATOM 885 HD22 LEU A 54 5.072 5.635 9.194 1.00 1.88 H -ATOM 886 HD23 LEU A 54 6.669 4.913 9.391 1.00 2.07 H -ATOM 887 N ILE A 55 2.014 3.863 11.097 1.00 0.66 N -ATOM 888 CA ILE A 55 1.463 2.621 10.485 1.00 0.59 C -ATOM 889 C ILE A 55 0.616 2.986 9.264 1.00 0.48 C -ATOM 890 O ILE A 55 0.783 2.429 8.196 1.00 0.39 O -ATOM 891 CB ILE A 55 0.593 1.885 11.506 1.00 0.70 C -ATOM 892 CG1 ILE A 55 1.424 1.569 12.752 1.00 0.89 C -ATOM 893 CG2 ILE A 55 0.078 0.582 10.891 1.00 0.73 C -ATOM 894 CD1 ILE A 55 0.493 1.180 13.901 1.00 1.02 C -ATOM 895 H ILE A 55 1.832 4.078 12.036 1.00 0.76 H -ATOM 896 HA ILE A 55 2.277 1.981 10.179 1.00 0.57 H -ATOM 897 HB ILE A 55 -0.246 2.508 11.781 1.00 0.70 H -ATOM 898 HG12 ILE A 55 2.095 0.750 12.537 1.00 0.95 H -ATOM 899 HG13 ILE A 55 1.996 2.440 13.033 1.00 0.95 H -ATOM 900 HG21 ILE A 55 -0.424 0.799 9.960 1.00 1.16 H -ATOM 901 HG22 ILE A 55 0.910 -0.081 10.706 1.00 1.26 H -ATOM 902 HG23 ILE A 55 -0.614 0.112 11.573 1.00 1.34 H -ATOM 903 HD11 ILE A 55 -0.496 0.980 13.512 1.00 1.45 H -ATOM 904 HD12 ILE A 55 0.873 0.294 14.389 1.00 1.40 H -ATOM 905 HD13 ILE A 55 0.441 1.990 14.614 1.00 1.51 H -ATOM 906 N ILE A 56 -0.272 3.938 9.397 1.00 0.51 N -ATOM 907 CA ILE A 56 -1.092 4.344 8.222 1.00 0.45 C -ATOM 908 C ILE A 56 -0.154 4.797 7.104 1.00 0.35 C -ATOM 909 O ILE A 56 -0.285 4.401 5.961 1.00 0.30 O -ATOM 910 CB ILE A 56 -2.051 5.475 8.611 1.00 0.52 C -ATOM 911 CG1 ILE A 56 -3.076 5.680 7.493 1.00 1.19 C -ATOM 912 CG2 ILE A 56 -1.276 6.773 8.831 1.00 1.41 C -ATOM 913 CD1 ILE A 56 -4.484 5.462 8.048 1.00 1.86 C -ATOM 914 H ILE A 56 -0.382 4.394 10.258 1.00 0.59 H -ATOM 915 HA ILE A 56 -1.664 3.493 7.879 1.00 0.46 H -ATOM 916 HB ILE A 56 -2.563 5.209 9.522 1.00 1.05 H -ATOM 917 HG12 ILE A 56 -2.991 6.685 7.106 1.00 1.77 H -ATOM 918 HG13 ILE A 56 -2.890 4.970 6.700 1.00 1.90 H -ATOM 919 HG21 ILE A 56 -0.760 7.045 7.924 1.00 1.89 H -ATOM 920 HG22 ILE A 56 -1.964 7.560 9.103 1.00 1.87 H -ATOM 921 HG23 ILE A 56 -0.563 6.630 9.626 1.00 2.07 H -ATOM 922 HD11 ILE A 56 -4.422 4.972 9.008 1.00 2.48 H -ATOM 923 HD12 ILE A 56 -4.978 6.416 8.162 1.00 2.31 H -ATOM 924 HD13 ILE A 56 -5.049 4.845 7.365 1.00 2.21 H -ATOM 925 N PHE A 57 0.802 5.624 7.438 1.00 0.37 N -ATOM 926 CA PHE A 57 1.770 6.113 6.413 1.00 0.34 C -ATOM 927 C PHE A 57 2.465 4.923 5.758 1.00 0.29 C -ATOM 928 O PHE A 57 2.591 4.852 4.552 1.00 0.27 O -ATOM 929 CB PHE A 57 2.821 7.018 7.066 1.00 0.44 C -ATOM 930 CG PHE A 57 2.475 8.464 6.792 1.00 1.05 C -ATOM 931 CD1 PHE A 57 1.389 9.059 7.443 1.00 1.80 C -ATOM 932 CD2 PHE A 57 3.242 9.206 5.885 1.00 1.97 C -ATOM 933 CE1 PHE A 57 1.068 10.398 7.188 1.00 2.57 C -ATOM 934 CE2 PHE A 57 2.920 10.546 5.631 1.00 2.71 C -ATOM 935 CZ PHE A 57 1.834 11.141 6.282 1.00 2.81 C -ATOM 936 H PHE A 57 0.880 5.921 8.370 1.00 0.43 H -ATOM 937 HA PHE A 57 1.235 6.674 5.659 1.00 0.34 H -ATOM 938 HB2 PHE A 57 2.840 6.848 8.133 1.00 0.94 H -ATOM 939 HB3 PHE A 57 3.792 6.799 6.650 1.00 0.81 H -ATOM 940 HD1 PHE A 57 0.797 8.485 8.142 1.00 2.26 H -ATOM 941 HD2 PHE A 57 4.080 8.747 5.384 1.00 2.49 H -ATOM 942 HE1 PHE A 57 0.229 10.857 7.691 1.00 3.32 H -ATOM 943 HE2 PHE A 57 3.512 11.118 4.931 1.00 3.52 H -ATOM 944 HZ PHE A 57 1.586 12.173 6.085 1.00 3.51 H -ATOM 945 N GLY A 58 2.926 3.987 6.541 1.00 0.30 N -ATOM 946 CA GLY A 58 3.621 2.807 5.957 1.00 0.28 C -ATOM 947 C GLY A 58 2.695 2.119 4.956 1.00 0.22 C -ATOM 948 O GLY A 58 3.091 1.801 3.854 1.00 0.23 O -ATOM 949 H GLY A 58 2.823 4.065 7.514 1.00 0.34 H -ATOM 950 HA2 GLY A 58 4.522 3.132 5.453 1.00 0.31 H -ATOM 951 HA3 GLY A 58 3.879 2.113 6.743 1.00 0.31 H -ATOM 952 N VAL A 59 1.460 1.893 5.318 1.00 0.22 N -ATOM 953 CA VAL A 59 0.530 1.234 4.359 1.00 0.23 C -ATOM 954 C VAL A 59 0.476 2.069 3.078 1.00 0.22 C -ATOM 955 O VAL A 59 0.616 1.557 1.982 1.00 0.23 O -ATOM 956 CB VAL A 59 -0.861 1.146 4.986 1.00 0.27 C -ATOM 957 CG1 VAL A 59 -1.835 0.522 3.985 1.00 0.33 C -ATOM 958 CG2 VAL A 59 -0.791 0.275 6.244 1.00 0.30 C -ATOM 959 H VAL A 59 1.148 2.159 6.208 1.00 0.24 H -ATOM 960 HA VAL A 59 0.885 0.243 4.129 1.00 0.25 H -ATOM 961 HB VAL A 59 -1.201 2.138 5.249 1.00 0.30 H -ATOM 962 HG11 VAL A 59 -1.462 0.668 2.982 1.00 0.98 H -ATOM 963 HG12 VAL A 59 -1.927 -0.536 4.185 1.00 1.10 H -ATOM 964 HG13 VAL A 59 -2.802 0.994 4.083 1.00 1.05 H -ATOM 965 HG21 VAL A 59 0.219 0.277 6.628 1.00 0.93 H -ATOM 966 HG22 VAL A 59 -1.462 0.669 6.993 1.00 1.14 H -ATOM 967 HG23 VAL A 59 -1.080 -0.737 5.998 1.00 1.08 H -ATOM 968 N MET A 60 0.305 3.357 3.208 1.00 0.22 N -ATOM 969 CA MET A 60 0.280 4.228 2.000 1.00 0.23 C -ATOM 970 C MET A 60 1.593 4.045 1.238 1.00 0.24 C -ATOM 971 O MET A 60 1.615 3.860 0.036 1.00 0.25 O -ATOM 972 CB MET A 60 0.132 5.690 2.428 1.00 0.26 C -ATOM 973 CG MET A 60 -1.175 5.866 3.203 1.00 0.32 C -ATOM 974 SD MET A 60 -1.605 7.623 3.273 1.00 1.15 S -ATOM 975 CE MET A 60 -0.141 8.182 4.180 1.00 1.83 C -ATOM 976 H MET A 60 0.218 3.753 4.101 1.00 0.22 H -ATOM 977 HA MET A 60 -0.550 3.948 1.367 1.00 0.25 H -ATOM 978 HB2 MET A 60 0.966 5.966 3.057 1.00 0.29 H -ATOM 979 HB3 MET A 60 0.117 6.322 1.552 1.00 0.30 H -ATOM 980 HG2 MET A 60 -1.965 5.323 2.705 1.00 0.69 H -ATOM 981 HG3 MET A 60 -1.053 5.485 4.205 1.00 0.71 H -ATOM 982 HE1 MET A 60 0.745 7.763 3.725 1.00 2.42 H -ATOM 983 HE2 MET A 60 -0.085 9.257 4.147 1.00 2.17 H -ATOM 984 HE3 MET A 60 -0.211 7.857 5.210 1.00 2.39 H -ATOM 985 N ALA A 61 2.689 4.093 1.946 1.00 0.25 N -ATOM 986 CA ALA A 61 4.020 3.922 1.300 1.00 0.27 C -ATOM 987 C ALA A 61 4.071 2.579 0.564 1.00 0.26 C -ATOM 988 O ALA A 61 4.520 2.504 -0.563 1.00 0.27 O -ATOM 989 CB ALA A 61 5.132 3.997 2.357 1.00 0.31 C -ATOM 990 H ALA A 61 2.636 4.239 2.912 1.00 0.25 H -ATOM 991 HA ALA A 61 4.164 4.718 0.583 1.00 0.29 H -ATOM 992 HB1 ALA A 61 4.700 3.938 3.346 1.00 1.02 H -ATOM 993 HB2 ALA A 61 5.827 3.183 2.216 1.00 1.10 H -ATOM 994 HB3 ALA A 61 5.657 4.936 2.255 1.00 1.06 H -ATOM 995 N GLY A 62 3.630 1.511 1.183 1.00 0.25 N -ATOM 996 CA GLY A 62 3.682 0.194 0.492 1.00 0.26 C -ATOM 997 C GLY A 62 2.921 0.286 -0.828 1.00 0.24 C -ATOM 998 O GLY A 62 3.406 -0.133 -1.860 1.00 0.24 O -ATOM 999 H GLY A 62 3.271 1.573 2.091 1.00 0.25 H -ATOM 1000 HA2 GLY A 62 4.713 -0.072 0.300 1.00 0.29 H -ATOM 1001 HA3 GLY A 62 3.225 -0.559 1.116 1.00 0.27 H -ATOM 1002 N VAL A 63 1.738 0.838 -0.817 1.00 0.22 N -ATOM 1003 CA VAL A 63 0.980 0.953 -2.095 1.00 0.21 C -ATOM 1004 C VAL A 63 1.825 1.734 -3.108 1.00 0.21 C -ATOM 1005 O VAL A 63 1.984 1.329 -4.243 1.00 0.21 O -ATOM 1006 CB VAL A 63 -0.337 1.692 -1.851 1.00 0.23 C -ATOM 1007 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 0.28 C -ATOM 1008 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 0.31 C -ATOM 1009 H VAL A 63 1.355 1.179 0.022 1.00 0.22 H -ATOM 1010 HA VAL A 63 0.774 -0.035 -2.481 1.00 0.22 H -ATOM 1011 HB VAL A 63 -0.128 2.685 -1.480 1.00 0.28 H -ATOM 1012 HG11 VAL A 63 -0.468 2.167 -3.940 1.00 0.98 H -ATOM 1013 HG12 VAL A 63 -1.483 0.814 -3.439 1.00 1.07 H -ATOM 1014 HG13 VAL A 63 -1.952 2.465 -3.034 1.00 1.13 H -ATOM 1015 HG21 VAL A 63 -1.152 -0.129 -1.058 1.00 0.96 H -ATOM 1016 HG22 VAL A 63 -0.755 1.080 0.164 1.00 1.07 H -ATOM 1017 HG23 VAL A 63 -2.188 1.281 -0.844 1.00 1.14 H -ATOM 1018 N ILE A 64 2.377 2.848 -2.700 1.00 0.23 N -ATOM 1019 CA ILE A 64 3.220 3.652 -3.630 1.00 0.25 C -ATOM 1020 C ILE A 64 4.373 2.794 -4.161 1.00 0.26 C -ATOM 1021 O ILE A 64 4.652 2.776 -5.343 1.00 0.26 O -ATOM 1022 CB ILE A 64 3.785 4.863 -2.886 1.00 0.30 C -ATOM 1023 CG1 ILE A 64 2.645 5.822 -2.537 1.00 0.32 C -ATOM 1024 CG2 ILE A 64 4.800 5.581 -3.777 1.00 0.40 C -ATOM 1025 CD1 ILE A 64 3.053 6.690 -1.345 1.00 1.06 C -ATOM 1026 H ILE A 64 2.238 3.156 -1.779 1.00 0.24 H -ATOM 1027 HA ILE A 64 2.615 3.992 -4.458 1.00 0.26 H -ATOM 1028 HB ILE A 64 4.272 4.533 -1.979 1.00 0.33 H -ATOM 1029 HG12 ILE A 64 2.434 6.454 -3.388 1.00 0.77 H -ATOM 1030 HG13 ILE A 64 1.763 5.255 -2.281 1.00 0.79 H -ATOM 1031 HG21 ILE A 64 4.393 5.692 -4.771 1.00 1.11 H -ATOM 1032 HG22 ILE A 64 5.014 6.556 -3.366 1.00 1.08 H -ATOM 1033 HG23 ILE A 64 5.712 5.003 -3.824 1.00 1.05 H -ATOM 1034 HD11 ILE A 64 3.602 6.090 -0.634 1.00 1.59 H -ATOM 1035 HD12 ILE A 64 3.677 7.503 -1.688 1.00 1.60 H -ATOM 1036 HD13 ILE A 64 2.169 7.090 -0.873 1.00 1.66 H -ATOM 1037 N GLY A 65 5.053 2.091 -3.294 1.00 0.27 N -ATOM 1038 CA GLY A 65 6.193 1.245 -3.750 1.00 0.30 C -ATOM 1039 C GLY A 65 5.711 0.257 -4.810 1.00 0.27 C -ATOM 1040 O GLY A 65 6.327 0.097 -5.845 1.00 0.29 O -ATOM 1041 H GLY A 65 4.820 2.123 -2.344 1.00 0.28 H -ATOM 1042 HA2 GLY A 65 6.963 1.877 -4.168 1.00 0.33 H -ATOM 1043 HA3 GLY A 65 6.593 0.699 -2.909 1.00 0.33 H -ATOM 1044 N THR A 66 4.615 -0.409 -4.567 1.00 0.24 N -ATOM 1045 CA THR A 66 4.107 -1.382 -5.573 1.00 0.24 C -ATOM 1046 C THR A 66 3.892 -0.660 -6.903 1.00 0.24 C -ATOM 1047 O THR A 66 4.305 -1.126 -7.947 1.00 0.28 O -ATOM 1048 CB THR A 66 2.780 -1.974 -5.091 1.00 0.25 C -ATOM 1049 OG1 THR A 66 2.935 -2.460 -3.763 1.00 0.32 O -ATOM 1050 CG2 THR A 66 2.371 -3.123 -6.014 1.00 0.28 C -ATOM 1051 H THR A 66 4.129 -0.268 -3.727 1.00 0.24 H -ATOM 1052 HA THR A 66 4.829 -2.174 -5.705 1.00 0.28 H -ATOM 1053 HB THR A 66 2.017 -1.213 -5.109 1.00 0.25 H -ATOM 1054 HG1 THR A 66 3.028 -1.704 -3.179 1.00 0.39 H -ATOM 1055 HG21 THR A 66 2.425 -2.795 -7.042 1.00 1.00 H -ATOM 1056 HG22 THR A 66 3.041 -3.958 -5.868 1.00 1.09 H -ATOM 1057 HG23 THR A 66 1.361 -3.428 -5.786 1.00 0.99 H -ATOM 1058 N ILE A 67 3.256 0.481 -6.875 1.00 0.23 N -ATOM 1059 CA ILE A 67 3.029 1.232 -8.141 1.00 0.29 C -ATOM 1060 C ILE A 67 4.377 1.506 -8.812 1.00 0.33 C -ATOM 1061 O ILE A 67 4.550 1.292 -9.996 1.00 0.40 O -ATOM 1062 CB ILE A 67 2.331 2.558 -7.830 1.00 0.33 C -ATOM 1063 CG1 ILE A 67 0.878 2.287 -7.431 1.00 0.34 C -ATOM 1064 CG2 ILE A 67 2.359 3.454 -9.069 1.00 0.40 C -ATOM 1065 CD1 ILE A 67 0.281 3.542 -6.791 1.00 0.41 C -ATOM 1066 H ILE A 67 2.936 0.844 -6.022 1.00 0.21 H -ATOM 1067 HA ILE A 67 2.409 0.645 -8.802 1.00 0.32 H -ATOM 1068 HB ILE A 67 2.843 3.053 -7.017 1.00 0.34 H -ATOM 1069 HG12 ILE A 67 0.308 2.024 -8.309 1.00 0.40 H -ATOM 1070 HG13 ILE A 67 0.845 1.473 -6.723 1.00 0.34 H -ATOM 1071 HG21 ILE A 67 2.751 2.897 -9.907 1.00 1.10 H -ATOM 1072 HG22 ILE A 67 1.356 3.785 -9.296 1.00 0.98 H -ATOM 1073 HG23 ILE A 67 2.987 4.311 -8.880 1.00 1.06 H -ATOM 1074 HD11 ILE A 67 0.898 3.850 -5.960 1.00 1.07 H -ATOM 1075 HD12 ILE A 67 0.239 4.334 -7.522 1.00 1.11 H -ATOM 1076 HD13 ILE A 67 -0.716 3.324 -6.437 1.00 1.14 H -ATOM 1077 N LEU A 68 5.335 1.973 -8.058 1.00 0.33 N -ATOM 1078 CA LEU A 68 6.676 2.257 -8.638 1.00 0.41 C -ATOM 1079 C LEU A 68 7.222 0.975 -9.283 1.00 0.44 C -ATOM 1080 O LEU A 68 7.717 0.988 -10.392 1.00 0.51 O -ATOM 1081 CB LEU A 68 7.606 2.778 -7.519 1.00 0.44 C -ATOM 1082 CG LEU A 68 8.904 1.964 -7.431 1.00 0.76 C -ATOM 1083 CD1 LEU A 68 9.801 2.296 -8.625 1.00 1.14 C -ATOM 1084 CD2 LEU A 68 9.635 2.314 -6.133 1.00 1.06 C -ATOM 1085 H LEU A 68 5.175 2.132 -7.105 1.00 0.30 H -ATOM 1086 HA LEU A 68 6.576 3.017 -9.400 1.00 0.46 H -ATOM 1087 HB2 LEU A 68 7.854 3.810 -7.718 1.00 0.70 H -ATOM 1088 HB3 LEU A 68 7.087 2.718 -6.572 1.00 0.61 H -ATOM 1089 HG LEU A 68 8.667 0.911 -7.439 1.00 0.84 H -ATOM 1090 HD11 LEU A 68 9.770 3.358 -8.814 1.00 1.55 H -ATOM 1091 HD12 LEU A 68 10.816 2.000 -8.406 1.00 1.54 H -ATOM 1092 HD13 LEU A 68 9.451 1.764 -9.497 1.00 1.72 H -ATOM 1093 HD21 LEU A 68 9.102 3.101 -5.619 1.00 1.51 H -ATOM 1094 HD22 LEU A 68 9.685 1.440 -5.500 1.00 1.52 H -ATOM 1095 HD23 LEU A 68 10.636 2.649 -6.363 1.00 1.60 H -ATOM 1096 N LEU A 69 7.140 -0.130 -8.592 1.00 0.40 N -ATOM 1097 CA LEU A 69 7.658 -1.407 -9.164 1.00 0.47 C -ATOM 1098 C LEU A 69 6.966 -1.686 -10.500 1.00 0.51 C -ATOM 1099 O LEU A 69 7.604 -2.009 -11.482 1.00 0.60 O -ATOM 1100 CB LEU A 69 7.375 -2.557 -8.193 1.00 0.47 C -ATOM 1101 CG LEU A 69 8.116 -3.813 -8.658 1.00 1.14 C -ATOM 1102 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 2.02 C -ATOM 1103 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 1.67 C -ATOM 1104 H LEU A 69 6.737 -0.118 -7.696 1.00 0.36 H -ATOM 1105 HA LEU A 69 8.725 -1.324 -9.325 1.00 0.54 H -ATOM 1106 HB2 LEU A 69 7.714 -2.284 -7.204 1.00 0.81 H -ATOM 1107 HB3 LEU A 69 6.314 -2.755 -8.168 1.00 0.89 H -ATOM 1108 HG LEU A 69 7.742 -4.112 -9.627 1.00 1.90 H -ATOM 1109 HD11 LEU A 69 9.892 -2.804 -7.997 1.00 2.49 H -ATOM 1110 HD12 LEU A 69 10.170 -4.432 -8.615 1.00 2.41 H -ATOM 1111 HD13 LEU A 69 9.836 -3.111 -9.733 1.00 2.62 H -ATOM 1112 HD21 LEU A 69 7.158 -4.628 -6.916 1.00 2.08 H -ATOM 1113 HD22 LEU A 69 7.526 -5.818 -8.167 1.00 2.26 H -ATOM 1114 HD23 LEU A 69 8.819 -5.175 -7.155 1.00 2.09 H -ATOM 1115 N ILE A 70 5.669 -1.563 -10.550 1.00 0.47 N -ATOM 1116 CA ILE A 70 4.949 -1.820 -11.829 1.00 0.57 C -ATOM 1117 C ILE A 70 5.506 -0.908 -12.918 1.00 0.65 C -ATOM 1118 O ILE A 70 5.807 -1.348 -14.009 1.00 0.77 O -ATOM 1119 CB ILE A 70 3.457 -1.543 -11.641 1.00 0.55 C -ATOM 1120 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 0.51 C -ATOM 1121 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 0.66 C -ATOM 1122 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 0.54 C -ATOM 1123 H ILE A 70 5.168 -1.298 -9.748 1.00 0.40 H -ATOM 1124 HA ILE A 70 5.091 -2.850 -12.123 1.00 0.62 H -ATOM 1125 HB ILE A 70 3.322 -0.529 -11.290 1.00 0.53 H -ATOM 1126 HG12 ILE A 70 2.791 -3.500 -11.063 1.00 0.59 H -ATOM 1127 HG13 ILE A 70 3.542 -2.576 -9.761 1.00 0.48 H -ATOM 1128 HG21 ILE A 70 3.348 -2.305 -13.643 1.00 1.39 H -ATOM 1129 HG22 ILE A 70 1.795 -2.234 -12.810 1.00 1.07 H -ATOM 1130 HG23 ILE A 70 2.541 -0.755 -13.413 1.00 1.17 H -ATOM 1131 HD11 ILE A 70 1.473 -0.956 -10.207 1.00 1.13 H -ATOM 1132 HD12 ILE A 70 0.747 -2.446 -10.807 1.00 1.23 H -ATOM 1133 HD13 ILE A 70 1.327 -2.356 -9.143 1.00 1.10 H -ATOM 1134 N SER A 71 5.656 0.357 -12.637 1.00 0.63 N -ATOM 1135 CA SER A 71 6.208 1.267 -13.675 1.00 0.76 C -ATOM 1136 C SER A 71 7.569 0.733 -14.108 1.00 0.83 C -ATOM 1137 O SER A 71 7.858 0.612 -15.282 1.00 0.95 O -ATOM 1138 CB SER A 71 6.367 2.674 -13.096 1.00 0.74 C -ATOM 1139 OG SER A 71 5.650 2.763 -11.872 1.00 1.53 O -ATOM 1140 H SER A 71 5.416 0.701 -11.751 1.00 0.55 H -ATOM 1141 HA SER A 71 5.541 1.295 -14.525 1.00 0.83 H -ATOM 1142 HB2 SER A 71 7.410 2.872 -12.912 1.00 1.04 H -ATOM 1143 HB3 SER A 71 5.984 3.398 -13.804 1.00 1.03 H -ATOM 1144 HG SER A 71 6.131 3.354 -11.290 1.00 1.76 H -ATOM 1145 N TYR A 72 8.404 0.395 -13.164 1.00 0.77 N -ATOM 1146 CA TYR A 72 9.740 -0.152 -13.517 1.00 0.87 C -ATOM 1147 C TYR A 72 9.564 -1.398 -14.390 1.00 0.94 C -ATOM 1148 O TYR A 72 10.198 -1.543 -15.415 1.00 1.07 O -ATOM 1149 CB TYR A 72 10.492 -0.525 -12.239 1.00 0.83 C -ATOM 1150 CG TYR A 72 11.736 0.323 -12.119 1.00 1.09 C -ATOM 1151 CD1 TYR A 72 11.626 1.696 -11.868 1.00 1.68 C -ATOM 1152 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 1.74 C -ATOM 1153 CE1 TYR A 72 12.780 2.482 -11.757 1.00 2.03 C -ATOM 1154 CE2 TYR A 72 14.152 0.521 -12.148 1.00 1.99 C -ATOM 1155 CZ TYR A 72 14.043 1.894 -11.896 1.00 1.84 C -ATOM 1156 OH TYR A 72 15.182 2.668 -11.786 1.00 2.25 O -ATOM 1157 H TYR A 72 8.145 0.492 -12.222 1.00 0.68 H -ATOM 1158 HA TYR A 72 10.302 0.594 -14.062 1.00 0.96 H -ATOM 1159 HB2 TYR A 72 9.854 -0.352 -11.384 1.00 0.85 H -ATOM 1160 HB3 TYR A 72 10.770 -1.567 -12.276 1.00 0.87 H -ATOM 1161 HD1 TYR A 72 10.652 2.150 -11.760 1.00 2.29 H -ATOM 1162 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 2.42 H -ATOM 1163 HE1 TYR A 72 12.696 3.541 -11.563 1.00 2.78 H -ATOM 1164 HE2 TYR A 72 15.127 0.067 -12.256 1.00 2.69 H -ATOM 1165 HH TYR A 72 15.556 2.523 -10.914 1.00 2.43 H -ATOM 1166 N GLY A 73 8.699 -2.298 -13.994 1.00 0.88 N -ATOM 1167 CA GLY A 73 8.481 -3.528 -14.806 1.00 0.98 C -ATOM 1168 C GLY A 73 8.060 -3.130 -16.219 1.00 1.10 C -ATOM 1169 O GLY A 73 8.584 -3.624 -17.197 1.00 1.24 O -ATOM 1170 H GLY A 73 8.193 -2.164 -13.166 1.00 0.78 H -ATOM 1171 HA2 GLY A 73 9.397 -4.099 -14.848 1.00 1.05 H -ATOM 1172 HA3 GLY A 73 7.703 -4.125 -14.357 1.00 0.93 H -ATOM 1173 N ILE A 74 7.121 -2.230 -16.334 1.00 1.07 N -ATOM 1174 CA ILE A 74 6.678 -1.795 -17.690 1.00 1.22 C -ATOM 1175 C ILE A 74 7.891 -1.262 -18.459 1.00 1.34 C -ATOM 1176 O ILE A 74 8.114 -1.609 -19.600 1.00 1.50 O -ATOM 1177 CB ILE A 74 5.607 -0.702 -17.560 1.00 1.20 C -ATOM 1178 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 1.37 C -ATOM 1179 CG2 ILE A 74 5.525 0.112 -18.855 1.00 1.50 C -ATOM 1180 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 1.81 C -ATOM 1181 H ILE A 74 6.712 -1.840 -15.529 1.00 0.95 H -ATOM 1182 HA ILE A 74 6.264 -2.643 -18.218 1.00 1.29 H -ATOM 1183 HB ILE A 74 5.858 -0.045 -16.740 1.00 1.42 H -ATOM 1184 HG12 ILE A 74 3.476 -0.808 -17.814 1.00 1.68 H -ATOM 1185 HG13 ILE A 74 4.266 -2.376 -17.649 1.00 1.85 H -ATOM 1186 HG21 ILE A 74 5.698 -0.538 -19.700 1.00 1.93 H -ATOM 1187 HG22 ILE A 74 4.544 0.557 -18.940 1.00 1.99 H -ATOM 1188 HG23 ILE A 74 6.273 0.890 -18.840 1.00 1.84 H -ATOM 1189 HD11 ILE A 74 4.355 -0.444 -15.355 1.00 2.15 H -ATOM 1190 HD12 ILE A 74 2.890 -1.386 -15.633 1.00 2.28 H -ATOM 1191 HD13 ILE A 74 4.421 -2.206 -15.332 1.00 2.29 H -ATOM 1192 N ARG A 75 8.676 -0.423 -17.840 1.00 1.29 N -ATOM 1193 CA ARG A 75 9.878 0.131 -18.532 1.00 1.42 C -ATOM 1194 C ARG A 75 10.776 -1.015 -18.998 1.00 1.52 C -ATOM 1195 O ARG A 75 11.228 -1.035 -20.125 1.00 1.68 O -ATOM 1196 CB ARG A 75 10.658 1.040 -17.578 1.00 1.36 C -ATOM 1197 CG ARG A 75 11.623 1.914 -18.382 1.00 1.61 C -ATOM 1198 CD ARG A 75 13.054 1.412 -18.184 1.00 1.77 C -ATOM 1199 NE ARG A 75 13.332 1.263 -16.727 1.00 1.70 N -ATOM 1200 CZ ARG A 75 14.366 0.573 -16.328 1.00 2.10 C -ATOM 1201 NH1 ARG A 75 15.557 0.864 -16.776 1.00 2.69 N -ATOM 1202 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 2.54 N -ATOM 1203 H ARG A 75 8.476 -0.160 -16.917 1.00 1.17 H -ATOM 1204 HA ARG A 75 9.559 0.701 -19.396 1.00 1.53 H -ATOM 1205 HB2 ARG A 75 9.968 1.671 -17.035 1.00 1.77 H -ATOM 1206 HB3 ARG A 75 11.219 0.435 -16.881 1.00 1.52 H -ATOM 1207 HG2 ARG A 75 11.365 1.864 -19.430 1.00 2.02 H -ATOM 1208 HG3 ARG A 75 11.551 2.936 -18.041 1.00 2.12 H -ATOM 1209 HD2 ARG A 75 13.172 0.457 -18.673 1.00 2.20 H -ATOM 1210 HD3 ARG A 75 13.748 2.123 -18.611 1.00 2.01 H -ATOM 1211 HE ARG A 75 12.738 1.680 -16.070 1.00 1.66 H -ATOM 1212 HH11 ARG A 75 15.677 1.614 -17.426 1.00 3.04 H -ATOM 1213 HH12 ARG A 75 16.349 0.335 -16.471 1.00 3.11 H -ATOM 1214 HH21 ARG A 75 13.297 -0.628 -15.136 1.00 2.81 H -ATOM 1215 HH22 ARG A 75 15.002 -0.934 -15.174 1.00 2.97 H -ATOM 1216 N ARG A 76 11.039 -1.973 -18.150 1.00 1.43 N -ATOM 1217 CA ARG A 76 11.906 -3.104 -18.580 1.00 1.55 C -ATOM 1218 C ARG A 76 11.275 -3.729 -19.819 1.00 1.67 C -ATOM 1219 O ARG A 76 11.926 -3.948 -20.820 1.00 1.83 O -ATOM 1220 CB ARG A 76 11.991 -4.145 -17.460 1.00 1.45 C -ATOM 1221 CG ARG A 76 13.012 -5.220 -17.838 1.00 1.62 C -ATOM 1222 CD ARG A 76 13.707 -5.731 -16.573 1.00 1.72 C -ATOM 1223 NE ARG A 76 14.771 -6.708 -16.944 1.00 2.17 N -ATOM 1224 CZ ARG A 76 14.588 -7.531 -17.942 1.00 2.50 C -ATOM 1225 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 2.89 N -ATOM 1226 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 3.17 N -ATOM 1227 H ARG A 76 10.666 -1.950 -17.243 1.00 1.30 H -ATOM 1228 HA ARG A 76 12.894 -2.738 -18.818 1.00 1.63 H -ATOM 1229 HB2 ARG A 76 12.299 -3.662 -16.543 1.00 1.45 H -ATOM 1230 HB3 ARG A 76 11.024 -4.602 -17.319 1.00 1.41 H -ATOM 1231 HG2 ARG A 76 12.506 -6.040 -18.328 1.00 1.82 H -ATOM 1232 HG3 ARG A 76 13.748 -4.800 -18.506 1.00 2.06 H -ATOM 1233 HD2 ARG A 76 14.152 -4.900 -16.048 1.00 2.19 H -ATOM 1234 HD3 ARG A 76 12.981 -6.214 -15.935 1.00 2.00 H -ATOM 1235 HE ARG A 76 15.611 -6.733 -16.438 1.00 2.74 H -ATOM 1236 HH11 ARG A 76 13.523 -8.841 -16.865 1.00 3.01 H -ATOM 1237 HH12 ARG A 76 13.765 -9.259 -18.529 1.00 3.47 H -ATOM 1238 HH21 ARG A 76 15.610 -6.413 -19.253 1.00 3.47 H -ATOM 1239 HH22 ARG A 76 14.946 -7.885 -19.880 1.00 3.71 H -ATOM 1240 N LEU A 77 9.997 -3.976 -19.771 1.00 1.62 N -ATOM 1241 CA LEU A 77 9.304 -4.538 -20.959 1.00 1.76 C -ATOM 1242 C LEU A 77 9.532 -3.582 -22.129 1.00 1.92 C -ATOM 1243 O LEU A 77 9.858 -3.993 -23.223 1.00 2.09 O -ATOM 1244 CB LEU A 77 7.806 -4.653 -20.673 1.00 1.69 C -ATOM 1245 CG LEU A 77 7.473 -6.083 -20.247 1.00 1.72 C -ATOM 1246 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 1.72 C -ATOM 1247 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 2.01 C -ATOM 1248 H LEU A 77 9.486 -3.761 -18.963 1.00 1.49 H -ATOM 1249 HA LEU A 77 9.710 -5.510 -21.195 1.00 1.83 H -ATOM 1250 HB2 LEU A 77 7.537 -3.969 -19.881 1.00 1.59 H -ATOM 1251 HB3 LEU A 77 7.249 -4.407 -21.565 1.00 1.80 H -ATOM 1252 HG LEU A 77 8.251 -6.454 -19.594 1.00 1.71 H -ATOM 1253 HD11 LEU A 77 5.630 -5.153 -19.660 1.00 1.99 H -ATOM 1254 HD12 LEU A 77 5.521 -6.900 -19.882 1.00 2.11 H -ATOM 1255 HD13 LEU A 77 6.311 -6.240 -18.449 1.00 1.93 H -ATOM 1256 HD21 LEU A 77 8.122 -6.669 -22.208 1.00 2.56 H -ATOM 1257 HD22 LEU A 77 7.546 -8.001 -21.207 1.00 2.23 H -ATOM 1258 HD23 LEU A 77 6.393 -6.876 -21.925 1.00 2.13 H -ATOM 1259 N ILE A 78 9.346 -2.306 -21.877 1.00 1.89 N -ATOM 1260 CA ILE A 78 9.524 -1.246 -22.916 1.00 2.07 C -ATOM 1261 C ILE A 78 8.176 -0.941 -23.564 1.00 2.17 C -ATOM 1262 O ILE A 78 7.685 -1.678 -24.395 1.00 2.50 O -ATOM 1263 CB ILE A 78 10.538 -1.679 -23.975 1.00 2.14 C -ATOM 1264 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 2.13 C -ATOM 1265 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 2.25 C -ATOM 1266 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 2.38 C -ATOM 1267 H ILE A 78 9.078 -2.040 -20.976 1.00 1.77 H -ATOM 1268 HA ILE A 78 9.885 -0.348 -22.433 1.00 2.26 H -ATOM 1269 HB ILE A 78 10.139 -2.498 -24.549 1.00 2.30 H -ATOM 1270 HG12 ILE A 78 12.595 -1.363 -23.453 1.00 2.27 H -ATOM 1271 HG13 ILE A 78 11.651 -2.190 -22.212 1.00 2.04 H -ATOM 1272 HG21 ILE A 78 10.468 0.412 -24.455 1.00 2.53 H -ATOM 1273 HG22 ILE A 78 11.895 -0.425 -25.067 1.00 2.38 H -ATOM 1274 HG23 ILE A 78 10.332 -0.656 -25.851 1.00 2.56 H -ATOM 1275 HD11 ILE A 78 11.693 -3.722 -24.683 1.00 2.64 H -ATOM 1276 HD12 ILE A 78 13.331 -3.392 -24.117 1.00 2.66 H -ATOM 1277 HD13 ILE A 78 12.181 -4.213 -23.061 1.00 2.72 H -ATOM 1278 N LYS A 79 7.572 0.147 -23.170 1.00 2.25 N -ATOM 1279 CA LYS A 79 6.247 0.522 -23.735 1.00 2.60 C -ATOM 1280 C LYS A 79 6.445 1.288 -25.045 1.00 2.97 C -ATOM 1281 O LYS A 79 7.143 2.281 -25.094 1.00 3.27 O -ATOM 1282 CB LYS A 79 5.505 1.407 -22.730 1.00 2.80 C -ATOM 1283 CG LYS A 79 3.998 1.172 -22.853 1.00 3.38 C -ATOM 1284 CD LYS A 79 3.248 2.201 -22.003 1.00 3.94 C -ATOM 1285 CE LYS A 79 2.282 2.990 -22.891 1.00 4.56 C -ATOM 1286 NZ LYS A 79 1.757 4.161 -22.134 1.00 5.22 N -ATOM 1287 H LYS A 79 7.993 0.717 -22.493 1.00 2.32 H -ATOM 1288 HA LYS A 79 5.669 -0.371 -23.923 1.00 2.72 H -ATOM 1289 HB2 LYS A 79 5.829 1.162 -21.726 1.00 2.65 H -ATOM 1290 HB3 LYS A 79 5.723 2.445 -22.934 1.00 3.01 H -ATOM 1291 HG2 LYS A 79 3.702 1.271 -23.886 1.00 3.67 H -ATOM 1292 HG3 LYS A 79 3.760 0.178 -22.503 1.00 3.67 H -ATOM 1293 HD2 LYS A 79 2.693 1.693 -21.228 1.00 4.28 H -ATOM 1294 HD3 LYS A 79 3.956 2.880 -21.553 1.00 4.08 H -ATOM 1295 HE2 LYS A 79 2.803 3.334 -23.771 1.00 4.79 H -ATOM 1296 HE3 LYS A 79 1.461 2.353 -23.183 1.00 4.75 H -ATOM 1297 HZ1 LYS A 79 2.549 4.760 -21.827 1.00 5.33 H -ATOM 1298 HZ2 LYS A 79 1.124 4.714 -22.746 1.00 5.57 H -ATOM 1299 HZ3 LYS A 79 1.230 3.827 -21.301 1.00 5.57 H -ATOM 1300 N LYS A 80 5.839 0.828 -26.107 1.00 3.27 N -ATOM 1301 CA LYS A 80 5.992 1.524 -27.419 1.00 3.83 C -ATOM 1302 C LYS A 80 7.450 1.434 -27.874 1.00 4.00 C -ATOM 1303 O LYS A 80 7.894 2.347 -28.552 1.00 4.36 O -ATOM 1304 CB LYS A 80 5.593 3.000 -27.279 1.00 4.43 C -ATOM 1305 CG LYS A 80 4.118 3.112 -26.883 1.00 5.03 C -ATOM 1306 CD LYS A 80 3.235 2.626 -28.036 1.00 5.77 C -ATOM 1307 CE LYS A 80 1.930 2.054 -27.477 1.00 6.68 C -ATOM 1308 NZ LYS A 80 1.045 3.172 -27.041 1.00 7.38 N -ATOM 1309 OXT LYS A 80 8.096 0.455 -27.539 1.00 4.28 O -ATOM 1310 H LYS A 80 5.287 0.019 -26.042 1.00 3.31 H -ATOM 1311 HA LYS A 80 5.359 1.049 -28.154 1.00 4.17 H -ATOM 1312 HB2 LYS A 80 6.206 3.467 -26.523 1.00 4.57 H -ATOM 1313 HB3 LYS A 80 5.747 3.502 -28.223 1.00 4.74 H -ATOM 1314 HG2 LYS A 80 3.930 2.510 -26.006 1.00 5.27 H -ATOM 1315 HG3 LYS A 80 3.882 4.143 -26.666 1.00 5.11 H -ATOM 1316 HD2 LYS A 80 3.014 3.455 -28.693 1.00 5.83 H -ATOM 1317 HD3 LYS A 80 3.754 1.858 -28.589 1.00 5.97 H -ATOM 1318 HE2 LYS A 80 1.432 1.480 -28.244 1.00 6.97 H -ATOM 1319 HE3 LYS A 80 2.149 1.417 -26.633 1.00 6.87 H -ATOM 1320 HZ1 LYS A 80 1.552 4.074 -27.134 1.00 7.46 H -ATOM 1321 HZ2 LYS A 80 0.192 3.188 -27.637 1.00 7.83 H -ATOM 1322 HZ3 LYS A 80 0.772 3.030 -26.048 1.00 7.60 H -TER 1323 LYS A 80 -END +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 18.74 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 18.11 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 17.30 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 17.26 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 18.42 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 18.58 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 18.59 C +ATOM 8 H1 VAL A 1 13.066 16.970 1.016 1.00 18.63 H +ATOM 9 H2 VAL A 1 12.320 16.071 -0.218 1.00 19.07 H +ATOM 10 H3 VAL A 1 11.499 17.370 0.499 1.00 19.08 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 18.15 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 18.56 H +ATOM 13 HG11 VAL A 1 14.041 15.107 1.752 1.00 18.56 H +ATOM 14 HG12 VAL A 1 14.050 13.354 1.557 1.00 18.83 H +ATOM 15 HG13 VAL A 1 13.820 14.397 0.153 1.00 18.58 H +ATOM 16 HG21 VAL A 1 10.757 13.506 2.932 1.00 18.63 H +ATOM 17 HG22 VAL A 1 11.938 12.323 2.372 1.00 18.86 H +ATOM 18 HG23 VAL A 1 12.436 13.621 3.457 1.00 18.54 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 16.78 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 16.11 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 15.69 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 15.68 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 16.10 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 15.49 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 15.09 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 15.39 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 14.56 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 16.93 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 16.10 H +ATOM 30 HB2 GLN A 2 12.118 19.447 4.404 1.00 16.14 H +ATOM 31 HB3 GLN A 2 10.444 19.246 4.920 1.00 16.63 H +ATOM 32 HG2 GLN A 2 11.997 20.559 6.499 1.00 15.60 H +ATOM 33 HG3 GLN A 2 11.035 19.270 7.221 1.00 15.40 H +ATOM 34 HE21 GLN A 2 12.192 17.748 8.419 1.00 14.40 H +ATOM 35 HE22 GLN A 2 13.868 17.501 8.313 1.00 14.42 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 15.49 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 15.26 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 14.77 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 14.94 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 15.58 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 15.97 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 16.71 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 16.05 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 15.59 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 15.38 H +ATOM 46 HB2 LEU A 3 11.006 14.353 7.407 1.00 15.74 H +ATOM 47 HB3 LEU A 3 9.798 14.615 8.666 1.00 15.55 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 15.84 H +ATOM 49 HD11 LEU A 3 11.219 12.297 6.318 1.00 16.93 H +ATOM 50 HD12 LEU A 3 9.924 11.099 6.301 1.00 16.80 H +ATOM 51 HD13 LEU A 3 9.724 12.628 5.443 1.00 17.03 H +ATOM 52 HD21 LEU A 3 9.809 12.598 9.699 1.00 16.08 H +ATOM 53 HD22 LEU A 3 9.612 11.061 8.856 1.00 15.96 H +ATOM 54 HD23 LEU A 3 11.139 11.939 8.745 1.00 16.30 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 14.32 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 14.03 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 13.34 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 13.29 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 14.31 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 14.30 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 14.29 H +ATOM 62 HB1 ALA A 4 5.481 16.332 7.735 1.00 14.32 H +ATOM 63 HB2 ALA A 4 4.726 16.690 9.287 1.00 14.34 H +ATOM 64 HB3 ALA A 4 5.478 17.983 8.353 1.00 14.64 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 12.98 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 12.48 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 11.62 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 11.76 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 12.81 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 13.36 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 13.57 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 13.93 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 14.23 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 14.47 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 13.15 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 12.71 H +ATOM 77 HB2 HIS A 5 6.718 12.902 11.541 1.00 13.05 H +ATOM 78 HB3 HIS A 5 6.612 12.797 13.298 1.00 12.61 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 13.40 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 14.07 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 14.63 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 10.90 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 10.21 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 9.43 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 9.32 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 10.37 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 10.53 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 10.58 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 10.88 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 10.97 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 11.15 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 10.94 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 10.38 H +ATOM 94 HB2 HIS A 6 10.510 15.350 14.316 1.00 10.69 H +ATOM 95 HB3 HIS A 6 11.169 14.900 15.889 1.00 10.30 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 10.50 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 11.09 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 11.25 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 9.11 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 8.55 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 7.46 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 7.39 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 8.98 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 9.76 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 10.29 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 10.19 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 11.19 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 11.10 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 11.57 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 9.39 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 8.86 H +ATOM 112 HB2 PHE A 7 7.868 15.358 18.619 1.00 9.18 H +ATOM 113 HB3 PHE A 7 7.640 14.399 20.081 1.00 8.77 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 10.16 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 9.98 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 11.72 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 11.57 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 12.35 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 6.86 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 6.01 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 5.07 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 5.28 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 6.54 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 7.08 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 7.15 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 6.02 H +ATOM 127 HB2 SER A 8 5.243 10.099 20.834 1.00 6.79 H +ATOM 128 HB3 SER A 8 5.897 11.728 20.968 1.00 6.61 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 7.42 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 4.41 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 3.84 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 2.84 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 3.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 4.55 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 5.41 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 6.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 6.49 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 6.28 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 4.61 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 4.12 H +ATOM 141 HB2 GLU A 9 6.228 5.717 18.385 1.00 4.86 H +ATOM 142 HB3 GLU A 9 6.813 5.694 16.722 1.00 4.60 H +ATOM 143 HG2 GLU A 9 8.680 7.302 17.746 1.00 5.70 H +ATOM 144 HG3 GLU A 9 8.253 6.447 19.228 1.00 5.72 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 2.18 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 1.51 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 1.23 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 1.13 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 1.87 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 2.49 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 2.65 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 1.77 H +ATOM 153 HB2 PRO A 10 2.338 9.126 13.888 1.00 2.10 H +ATOM 154 HB3 PRO A 10 1.972 10.228 15.221 1.00 2.10 H +ATOM 155 HG2 PRO A 10 4.405 10.080 13.670 1.00 3.08 H +ATOM 156 HG3 PRO A 10 4.020 11.198 14.984 1.00 2.65 H +ATOM 157 HD2 PRO A 10 5.850 8.981 15.049 1.00 3.25 H +ATOM 158 HD3 PRO A 10 5.426 10.077 16.380 1.00 2.87 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 1.29 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 1.13 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 1.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.97 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 1.32 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 1.94 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 2.47 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 2.89 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 3.01 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 1.55 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 1.09 H +ATOM 170 HB2 GLU A 11 -0.348 4.785 16.531 1.00 1.69 H +ATOM 171 HB3 GLU A 11 -0.024 3.275 15.679 1.00 1.69 H +ATOM 172 HG2 GLU A 11 0.828 2.614 17.688 1.00 2.39 H +ATOM 173 HG3 GLU A 11 2.251 3.513 17.160 1.00 2.45 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 0.99 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 0.91 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 0.80 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 0.74 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 1.03 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 1.05 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 1.28 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 1.48 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 1.08 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 0.89 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 1.22 H +ATOM 185 HG12 ILE A 12 -3.166 8.653 11.564 1.00 1.37 H +ATOM 186 HG13 ILE A 12 -2.190 7.468 10.695 1.00 1.18 H +ATOM 187 HG21 ILE A 12 -0.262 8.757 13.707 1.00 1.67 H +ATOM 188 HG22 ILE A 12 -0.514 9.090 11.993 1.00 1.67 H +ATOM 189 HG23 ILE A 12 -1.677 9.673 13.185 1.00 1.72 H +ATOM 190 HD11 ILE A 12 -3.597 5.942 12.550 1.00 1.86 H +ATOM 191 HD12 ILE A 12 -4.780 7.127 11.993 1.00 2.05 H +ATOM 192 HD13 ILE A 12 -3.965 6.080 10.831 1.00 1.87 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 0.81 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 0.76 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 0.68 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 0.62 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 0.86 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 1.35 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 1.19 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 0.89 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 0.74 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 1.13 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 1.84 H +ATOM 204 HG21 THR A 13 1.589 10.024 12.390 1.00 1.65 H +ATOM 205 HG22 THR A 13 3.163 10.814 12.479 1.00 1.61 H +ATOM 206 HG23 THR A 13 2.254 10.827 10.968 1.00 1.72 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 0.72 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 0.69 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 0.58 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 0.50 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 0.82 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 0.88 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 0.87 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 1.02 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 0.80 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 0.67 H +ATOM 217 HB2 LEU A 14 4.844 4.522 12.553 1.00 1.22 H +ATOM 218 HB3 LEU A 14 3.742 3.198 12.178 1.00 0.83 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 1.30 H +ATOM 220 HD11 LEU A 14 5.565 2.209 13.303 1.00 1.27 H +ATOM 221 HD12 LEU A 14 5.611 0.976 12.042 1.00 1.28 H +ATOM 222 HD13 LEU A 14 7.081 1.847 12.477 1.00 1.34 H +ATOM 223 HD21 LEU A 14 4.341 1.893 10.050 1.00 1.44 H +ATOM 224 HD22 LEU A 14 5.379 3.024 9.183 1.00 1.64 H +ATOM 225 HD23 LEU A 14 6.043 1.509 9.793 1.00 1.43 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 0.62 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 0.57 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 0.45 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 0.38 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 0.69 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 0.91 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 0.76 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 1.10 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 0.71 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 0.58 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 0.63 H +ATOM 237 HG12 ILE A 15 -0.165 0.830 11.538 1.00 0.92 H +ATOM 238 HG13 ILE A 15 0.636 2.256 12.200 1.00 0.98 H +ATOM 239 HG21 ILE A 15 -1.137 0.950 9.248 1.00 1.24 H +ATOM 240 HG22 ILE A 15 -2.422 1.676 10.214 1.00 1.27 H +ATOM 241 HG23 ILE A 15 -1.853 2.485 8.754 1.00 1.35 H +ATOM 242 HD11 ILE A 15 -2.373 2.041 12.129 1.00 1.66 H +ATOM 243 HD12 ILE A 15 -1.436 1.369 13.463 1.00 1.56 H +ATOM 244 HD13 ILE A 15 -1.372 3.098 13.125 1.00 1.37 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 0.44 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 0.36 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 0.28 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 0.25 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 0.39 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 1.21 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 1.18 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 1.58 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 0.50 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 0.38 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 0.83 H +ATOM 256 HG12 ILE A 16 -2.240 6.820 7.256 1.00 1.92 H +ATOM 257 HG13 ILE A 16 -1.500 6.481 8.821 1.00 1.86 H +ATOM 258 HG21 ILE A 16 0.152 6.928 5.112 1.00 1.76 H +ATOM 259 HG22 ILE A 16 -1.022 8.082 5.744 1.00 1.82 H +ATOM 260 HG23 ILE A 16 0.704 8.377 5.952 1.00 1.61 H +ATOM 261 HD11 ILE A 16 -1.346 9.181 7.458 1.00 2.05 H +ATOM 262 HD12 ILE A 16 -2.579 8.761 8.649 1.00 2.07 H +ATOM 263 HD13 ILE A 16 -0.877 8.789 9.112 1.00 2.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 0.31 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 0.32 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 0.30 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 0.30 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 0.41 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 0.80 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 1.52 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 1.66 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 1.97 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 2.09 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 1.95 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 0.36 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 0.32 H +ATOM 277 HB2 PHE A 17 4.737 5.017 7.757 1.00 0.65 H +ATOM 278 HB3 PHE A 17 5.792 4.796 6.363 1.00 0.64 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 2.18 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 2.34 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 2.73 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 2.89 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 2.41 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 0.31 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 0.32 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 0.26 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 0.26 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 0.34 H +ATOM 289 HA2 GLY A 18 4.506 1.112 5.208 1.00 0.36 H +ATOM 290 HA3 GLY A 18 3.198 0.670 6.309 1.00 0.35 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 0.23 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 0.22 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 0.21 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 0.22 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 0.24 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 0.28 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 0.28 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 0.24 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 0.24 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 0.25 H +ATOM 301 HG11 VAL A 19 -1.442 1.985 1.761 1.00 1.07 H +ATOM 302 HG12 VAL A 19 -2.756 1.752 2.914 1.00 1.05 H +ATOM 303 HG13 VAL A 19 -2.283 3.383 2.434 1.00 1.05 H +ATOM 304 HG21 VAL A 19 -0.732 1.187 5.532 1.00 1.03 H +ATOM 305 HG22 VAL A 19 -1.945 2.458 5.681 1.00 1.10 H +ATOM 306 HG23 VAL A 19 -2.277 1.034 4.696 1.00 1.03 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 0.22 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 0.25 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 0.27 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 0.28 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 0.29 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 0.36 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 1.07 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 1.70 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 0.22 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 0.26 H +ATOM 317 HB2 MET A 20 3.355 5.424 2.699 1.00 0.33 H +ATOM 318 HB3 MET A 20 3.435 6.068 1.058 1.00 0.34 H +ATOM 319 HG2 MET A 20 0.835 6.461 1.463 1.00 0.70 H +ATOM 320 HG3 MET A 20 1.337 6.469 3.153 1.00 0.72 H +ATOM 321 HE1 MET A 20 -0.050 8.308 1.356 1.00 2.15 H +ATOM 322 HE2 MET A 20 0.362 9.709 2.341 1.00 2.21 H +ATOM 323 HE3 MET A 20 0.802 9.681 0.636 1.00 2.23 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 0.28 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 0.32 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 0.30 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 0.30 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 0.37 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 0.29 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 0.34 H +ATOM 331 HB1 ALA A 21 5.474 1.551 3.017 1.00 1.10 H +ATOM 332 HB2 ALA A 21 6.213 0.395 1.905 1.00 1.10 H +ATOM 333 HB3 ALA A 21 6.963 1.968 2.173 1.00 1.06 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 0.28 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 0.27 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 0.23 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 0.23 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 0.28 H +ATOM 339 HA2 GLY A 22 3.753 -1.610 -0.492 1.00 0.30 H +ATOM 340 HA3 GLY A 22 2.148 -1.252 0.152 1.00 0.28 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 0.21 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 0.19 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 0.20 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 0.19 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 0.22 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 0.28 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 0.27 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 0.21 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 0.19 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 0.26 H +ATOM 351 HG11 VAL A 23 0.275 2.913 -4.723 1.00 1.04 H +ATOM 352 HG12 VAL A 23 -0.217 4.334 -3.801 1.00 1.03 H +ATOM 353 HG13 VAL A 23 1.481 4.096 -4.217 1.00 1.04 H +ATOM 354 HG21 VAL A 23 -0.764 1.461 -2.019 1.00 1.09 H +ATOM 355 HG22 VAL A 23 -0.588 2.873 -0.977 1.00 1.03 H +ATOM 356 HG23 VAL A 23 -1.362 3.031 -2.553 1.00 1.03 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 0.23 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 0.27 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 0.27 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 0.28 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 0.33 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 0.67 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 0.75 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 1.20 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 0.25 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 0.28 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 0.41 H +ATOM 368 HG12 ILE A 24 4.509 4.370 -2.029 1.00 1.29 H +ATOM 369 HG13 ILE A 24 6.149 4.854 -1.595 1.00 1.22 H +ATOM 370 HG21 ILE A 24 7.077 3.642 -4.886 1.00 1.13 H +ATOM 371 HG22 ILE A 24 7.715 4.537 -3.507 1.00 1.25 H +ATOM 372 HG23 ILE A 24 8.052 2.814 -3.671 1.00 1.43 H +ATOM 373 HD11 ILE A 24 5.255 5.230 -4.428 1.00 1.91 H +ATOM 374 HD12 ILE A 24 4.680 6.365 -3.206 1.00 1.60 H +ATOM 375 HD13 ILE A 24 6.411 6.171 -3.484 1.00 1.67 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 0.29 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 0.33 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 0.30 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 0.33 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 0.30 H +ATOM 381 HA2 GLY A 25 7.208 -0.780 -4.746 1.00 0.38 H +ATOM 382 HA3 GLY A 25 6.145 -1.716 -3.692 1.00 0.37 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 0.25 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 0.25 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 0.26 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 0.32 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 0.24 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 0.34 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 0.31 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 0.24 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 0.31 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 0.22 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 0.40 H +ATOM 394 HG21 THR A 26 1.315 -1.690 -8.351 1.00 1.10 H +ATOM 395 HG22 THR A 26 0.581 -2.963 -7.376 1.00 0.98 H +ATOM 396 HG23 THR A 26 -0.119 -1.345 -7.384 1.00 1.03 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 0.24 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 0.33 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 0.39 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 0.47 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 0.37 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 0.39 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 0.47 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 0.49 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 0.22 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 0.38 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 0.37 H +ATOM 408 HG12 ILE A 27 1.872 3.224 -8.418 1.00 0.46 H +ATOM 409 HG13 ILE A 27 2.295 2.707 -6.786 1.00 0.38 H +ATOM 410 HG21 ILE A 27 4.531 3.303 -10.146 1.00 1.04 H +ATOM 411 HG22 ILE A 27 3.742 4.645 -9.316 1.00 1.19 H +ATOM 412 HG23 ILE A 27 5.416 4.237 -8.940 1.00 1.15 H +ATOM 413 HD11 ILE A 27 3.657 5.012 -6.827 1.00 1.14 H +ATOM 414 HD12 ILE A 27 2.410 5.429 -8.002 1.00 1.07 H +ATOM 415 HD13 ILE A 27 1.956 4.947 -6.367 1.00 1.21 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 0.39 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 0.49 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 0.53 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 0.62 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 0.53 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 0.59 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 0.68 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 0.65 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 0.34 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 0.55 H +ATOM 426 HB2 LEU A 28 9.271 0.916 -7.976 1.00 0.60 H +ATOM 427 HB3 LEU A 28 7.975 0.190 -7.035 1.00 0.54 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 0.61 H +ATOM 429 HD11 LEU A 28 9.660 -0.862 -10.178 1.00 1.18 H +ATOM 430 HD12 LEU A 28 10.972 -0.508 -9.054 1.00 1.37 H +ATOM 431 HD13 LEU A 28 10.567 -2.181 -9.439 1.00 1.06 H +ATOM 432 HD21 LEU A 28 9.859 -0.724 -6.142 1.00 1.31 H +ATOM 433 HD22 LEU A 28 9.482 -2.432 -6.370 1.00 1.06 H +ATOM 434 HD23 LEU A 28 10.962 -1.756 -7.050 1.00 1.25 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 0.49 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 0.57 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 0.60 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 0.71 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 0.56 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 1.24 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 1.76 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 1.92 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 0.44 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 0.65 H +ATOM 445 HB2 LEU A 29 5.866 -4.145 -8.630 1.00 0.97 H +ATOM 446 HB3 LEU A 29 4.486 -3.598 -9.585 1.00 0.94 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 1.94 H +ATOM 448 HD11 LEU A 29 7.605 -5.429 -10.191 1.00 2.23 H +ATOM 449 HD12 LEU A 29 6.736 -6.484 -9.077 1.00 2.17 H +ATOM 450 HD13 LEU A 29 6.862 -6.915 -10.783 1.00 2.19 H +ATOM 451 HD21 LEU A 29 3.954 -5.820 -8.931 1.00 2.33 H +ATOM 452 HD22 LEU A 29 3.459 -6.056 -10.607 1.00 2.54 H +ATOM 453 HD23 LEU A 29 4.558 -7.204 -9.842 1.00 2.27 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 0.55 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 0.65 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 0.75 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 0.87 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 0.63 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 0.58 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 0.75 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 0.66 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 0.47 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 0.70 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 0.62 H +ATOM 465 HG12 ILE A 30 1.291 -1.734 -12.162 1.00 0.65 H +ATOM 466 HG13 ILE A 30 2.403 -1.595 -10.800 1.00 0.53 H +ATOM 467 HG21 ILE A 30 2.917 0.172 -14.559 1.00 1.21 H +ATOM 468 HG22 ILE A 30 1.405 -0.548 -14.005 1.00 1.08 H +ATOM 469 HG23 ILE A 30 1.794 1.121 -13.584 1.00 1.31 H +ATOM 470 HD11 ILE A 30 1.321 0.984 -11.174 1.00 0.98 H +ATOM 471 HD12 ILE A 30 -0.038 -0.132 -11.300 1.00 1.16 H +ATOM 472 HD13 ILE A 30 0.973 -0.135 -9.856 1.00 1.31 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 0.73 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 0.87 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 0.94 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 1.07 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 0.86 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 1.29 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 0.65 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 0.95 H +ATOM 481 HB2 SER A 31 8.229 1.269 -12.553 1.00 1.00 H +ATOM 482 HB3 SER A 31 8.389 2.364 -13.923 1.00 1.28 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 1.40 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 0.89 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 1.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 1.05 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 1.18 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 0.96 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 1.27 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 1.62 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 2.13 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 1.95 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 2.53 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 2.15 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 2.64 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 0.80 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 1.09 H +ATOM 498 HB2 TYR A 32 8.905 -2.978 -12.755 1.00 0.96 H +ATOM 499 HB3 TYR A 32 9.236 -4.144 -14.037 1.00 1.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 2.19 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 2.77 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 2.53 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 3.38 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 2.82 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.97 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 1.05 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 1.16 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 1.29 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.88 H +ATOM 510 HA2 GLY A 33 6.606 -4.793 -16.846 1.00 1.11 H +ATOM 511 HA3 GLY A 33 5.165 -4.072 -16.126 1.00 0.99 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 1.14 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 1.29 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 1.41 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 1.55 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 1.28 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 1.74 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 1.77 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 2.19 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 1.05 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 1.35 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 1.42 H +ATOM 523 HG12 ILE A 34 3.899 2.292 -18.745 1.00 2.09 H +ATOM 524 HG13 ILE A 34 4.427 1.254 -20.069 1.00 2.18 H +ATOM 525 HG21 ILE A 34 7.171 1.113 -17.556 1.00 2.04 H +ATOM 526 HG22 ILE A 34 6.717 1.744 -19.137 1.00 2.31 H +ATOM 527 HG23 ILE A 34 6.118 2.520 -17.671 1.00 2.25 H +ATOM 528 HD11 ILE A 34 2.915 -0.321 -18.200 1.00 2.56 H +ATOM 529 HD12 ILE A 34 1.983 1.114 -18.628 1.00 2.60 H +ATOM 530 HD13 ILE A 34 2.553 0.024 -19.892 1.00 2.54 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 1.37 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 1.51 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 1.58 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 1.73 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 1.46 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 1.73 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 2.03 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 2.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 2.45 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 2.76 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 3.14 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 1.27 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 1.61 H +ATOM 544 HB2 ARG A 35 10.316 -1.370 -17.915 1.00 1.77 H +ATOM 545 HB3 ARG A 35 11.321 -0.591 -19.138 1.00 1.58 H +ATOM 546 HG2 ARG A 35 9.715 1.487 -18.346 1.00 2.15 H +ATOM 547 HG3 ARG A 35 9.907 0.593 -16.837 1.00 2.19 H +ATOM 548 HD2 ARG A 35 12.160 1.549 -18.628 1.00 2.45 H +ATOM 549 HD3 ARG A 35 11.701 2.257 -17.081 1.00 2.48 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 2.02 H +ATOM 551 HH11 ARG A 35 13.904 1.948 -15.585 1.00 2.90 H +ATOM 552 HH12 ARG A 35 15.459 1.481 -16.185 1.00 3.21 H +ATOM 553 HH21 ARG A 35 14.201 -0.940 -18.325 1.00 3.41 H +ATOM 554 HH22 ARG A 35 15.628 -0.153 -17.738 1.00 3.66 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 1.50 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 1.59 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 1.69 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 1.84 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 1.50 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 1.77 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 2.23 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 2.70 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 3.07 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 3.56 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 3.58 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 1.38 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 1.68 H +ATOM 568 HB2 ARG A 36 9.201 -5.395 -18.881 1.00 1.51 H +ATOM 569 HB3 ARG A 36 7.629 -5.391 -19.682 1.00 1.60 H +ATOM 570 HG2 ARG A 36 9.746 -6.515 -21.364 1.00 2.13 H +ATOM 571 HG3 ARG A 36 9.520 -7.413 -19.861 1.00 1.96 H +ATOM 572 HD2 ARG A 36 7.206 -6.617 -21.637 1.00 2.56 H +ATOM 573 HD3 ARG A 36 8.059 -8.148 -21.823 1.00 2.57 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 3.18 H +ATOM 575 HH11 ARG A 36 8.773 -9.650 -20.131 1.00 3.68 H +ATOM 576 HH12 ARG A 36 8.959 -9.837 -18.419 1.00 4.16 H +ATOM 577 HH21 ARG A 36 6.506 -7.516 -17.631 1.00 3.74 H +ATOM 578 HH22 ARG A 36 7.675 -8.628 -17.003 1.00 4.16 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 1.64 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 1.75 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 1.91 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 2.05 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 1.69 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 2.11 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 2.66 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 2.38 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 1.52 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 1.80 H +ATOM 589 HB2 LEU A 37 4.833 -2.685 -21.344 1.00 1.91 H +ATOM 590 HB3 LEU A 37 4.580 -1.987 -22.944 1.00 1.94 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 2.63 H +ATOM 592 HD11 LEU A 37 2.557 -2.551 -21.346 1.00 2.82 H +ATOM 593 HD12 LEU A 37 1.525 -3.666 -22.241 1.00 3.15 H +ATOM 594 HD13 LEU A 37 2.474 -4.248 -20.873 1.00 3.10 H +ATOM 595 HD21 LEU A 37 3.385 -2.769 -24.471 1.00 2.77 H +ATOM 596 HD22 LEU A 37 3.647 -4.497 -24.707 1.00 2.87 H +ATOM 597 HD23 LEU A 37 2.081 -3.911 -24.147 1.00 2.45 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 1.90 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 2.06 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 2.14 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 2.20 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 2.05 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 1.98 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 2.03 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 2.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 1.79 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 2.15 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 2.14 H +ATOM 609 HG12 ILE A 38 7.496 0.763 -21.853 1.00 2.00 H +ATOM 610 HG13 ILE A 38 8.980 -0.053 -22.340 1.00 2.02 H +ATOM 611 HG21 ILE A 38 6.040 1.194 -24.978 1.00 2.39 H +ATOM 612 HG22 ILE A 38 5.890 1.051 -23.227 1.00 2.15 H +ATOM 613 HG23 ILE A 38 6.553 2.522 -23.938 1.00 2.23 H +ATOM 614 HD11 ILE A 38 9.566 2.483 -23.100 1.00 2.36 H +ATOM 615 HD12 ILE A 38 8.511 2.809 -21.723 1.00 2.19 H +ATOM 616 HD13 ILE A 38 9.966 1.835 -21.509 1.00 2.20 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 2.35 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 2.45 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 2.85 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 3.21 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 2.30 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 2.60 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 2.94 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 3.56 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 3.91 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 2.55 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 2.58 H +ATOM 628 HB2 LYS A 39 11.275 -2.020 -23.017 1.00 2.10 H +ATOM 629 HB3 LYS A 39 12.152 -2.813 -24.327 1.00 2.50 H +ATOM 630 HG2 LYS A 39 13.918 -2.539 -22.887 1.00 2.77 H +ATOM 631 HG3 LYS A 39 13.980 -0.952 -23.654 1.00 3.02 H +ATOM 632 HD2 LYS A 39 12.042 -0.791 -21.583 1.00 3.26 H +ATOM 633 HD3 LYS A 39 13.464 -1.583 -20.900 1.00 3.12 H +ATOM 634 HE2 LYS A 39 14.020 0.753 -22.635 1.00 3.96 H +ATOM 635 HE3 LYS A 39 13.214 1.114 -21.109 1.00 3.92 H +ATOM 636 HZ1 LYS A 39 15.127 -0.677 -20.410 1.00 4.13 H +ATOM 637 HZ2 LYS A 39 15.907 0.253 -21.594 1.00 4.14 H +ATOM 638 HZ3 LYS A 39 15.239 1.008 -20.226 1.00 4.20 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 3.09 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 3.63 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 4.10 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 4.56 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 3.99 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 4.58 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 5.25 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 6.09 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 6.53 N +ATOM 648 OXT LYS A 40 12.929 0.132 -28.372 1.00 4.44 O +ATOM 649 H LYS A 40 13.719 -1.795 -25.860 1.00 3.09 H +ATOM 650 HA LYS A 40 14.134 -2.672 -28.002 1.00 3.93 H +ATOM 651 HB2 LYS A 40 11.829 -3.770 -27.438 1.00 4.02 H +ATOM 652 HB3 LYS A 40 11.182 -2.586 -28.575 1.00 4.35 H +ATOM 653 HG2 LYS A 40 13.343 -3.542 -29.961 1.00 5.09 H +ATOM 654 HG3 LYS A 40 12.820 -4.984 -29.090 1.00 4.47 H +ATOM 655 HD2 LYS A 40 10.689 -4.962 -30.080 1.00 5.25 H +ATOM 656 HD3 LYS A 40 10.815 -3.263 -30.534 1.00 5.52 H +ATOM 657 HE2 LYS A 40 11.085 -4.746 -32.500 1.00 6.55 H +ATOM 658 HE3 LYS A 40 12.549 -3.814 -32.186 1.00 6.28 H +ATOM 659 HZ1 LYS A 40 13.158 -5.879 -30.755 1.00 6.71 H +ATOM 660 HZ2 LYS A 40 12.038 -6.673 -31.756 1.00 6.79 H +ATOM 661 HZ3 LYS A 40 13.392 -5.912 -32.438 1.00 6.75 H +ATOM 662 N VAL A 41 -9.556 1.761 2.979 1.00 19.64 N +ATOM 663 CA VAL A 41 -8.757 2.687 3.831 1.00 19.45 C +ATOM 664 C VAL A 41 -9.562 3.056 5.079 1.00 18.79 C +ATOM 665 O VAL A 41 -9.844 4.211 5.328 1.00 19.02 O +ATOM 666 CB VAL A 41 -8.433 3.956 3.040 1.00 19.77 C +ATOM 667 CG1 VAL A 41 -9.726 4.722 2.754 1.00 20.22 C +ATOM 668 CG2 VAL A 41 -7.490 4.839 3.859 1.00 19.99 C +ATOM 669 H1 VAL A 41 -10.475 1.580 3.430 1.00 19.83 H +ATOM 670 H2 VAL A 41 -9.706 2.196 2.045 1.00 19.55 H +ATOM 671 H3 VAL A 41 -9.044 0.864 2.866 1.00 19.78 H +ATOM 672 HA VAL A 41 -7.838 2.202 4.125 1.00 19.68 H +ATOM 673 HB VAL A 41 -7.961 3.688 2.106 1.00 19.65 H +ATOM 674 HG11 VAL A 41 -10.572 4.067 2.898 1.00 20.58 H +ATOM 675 HG12 VAL A 41 -9.803 5.562 3.430 1.00 20.10 H +ATOM 676 HG13 VAL A 41 -9.716 5.079 1.736 1.00 20.40 H +ATOM 677 HG21 VAL A 41 -6.684 4.237 4.253 1.00 20.15 H +ATOM 678 HG22 VAL A 41 -7.083 5.615 3.227 1.00 19.89 H +ATOM 679 HG23 VAL A 41 -8.035 5.289 4.676 1.00 20.21 H +ATOM 680 N GLN A 42 -9.935 2.083 5.867 1.00 18.10 N +ATOM 681 CA GLN A 42 -10.721 2.382 7.098 1.00 17.56 C +ATOM 682 C GLN A 42 -9.862 3.206 8.060 1.00 16.86 C +ATOM 683 O GLN A 42 -8.662 3.035 8.136 1.00 16.59 O +ATOM 684 CB GLN A 42 -11.134 1.072 7.776 1.00 17.30 C +ATOM 685 CG GLN A 42 -12.210 0.370 6.942 1.00 17.01 C +ATOM 686 CD GLN A 42 -13.301 1.373 6.561 1.00 16.75 C +ATOM 687 OE1 GLN A 42 -13.464 1.699 5.402 1.00 17.03 O +ATOM 688 NE2 GLN A 42 -14.060 1.879 7.494 1.00 16.36 N +ATOM 689 H GLN A 42 -9.698 1.158 5.649 1.00 18.01 H +ATOM 690 HA GLN A 42 -11.603 2.946 6.833 1.00 18.00 H +ATOM 691 HB2 GLN A 42 -10.271 0.427 7.866 1.00 17.10 H +ATOM 692 HB3 GLN A 42 -11.526 1.286 8.759 1.00 17.65 H +ATOM 693 HG2 GLN A 42 -11.764 -0.037 6.046 1.00 17.14 H +ATOM 694 HG3 GLN A 42 -12.647 -0.430 7.522 1.00 17.03 H +ATOM 695 HE21 GLN A 42 -13.929 1.616 8.430 1.00 16.23 H +ATOM 696 HE22 GLN A 42 -14.761 2.522 7.260 1.00 16.27 H +ATOM 697 N LEU A 43 -10.469 4.098 8.796 1.00 16.69 N +ATOM 698 CA LEU A 43 -9.684 4.931 9.750 1.00 16.15 C +ATOM 699 C LEU A 43 -10.445 5.052 11.072 1.00 15.61 C +ATOM 700 O LEU A 43 -10.058 5.790 11.957 1.00 15.57 O +ATOM 701 CB LEU A 43 -9.476 6.326 9.157 1.00 16.73 C +ATOM 702 CG LEU A 43 -8.056 6.803 9.461 1.00 16.88 C +ATOM 703 CD1 LEU A 43 -7.046 5.828 8.853 1.00 17.47 C +ATOM 704 CD2 LEU A 43 -7.847 8.194 8.856 1.00 17.27 C +ATOM 705 H LEU A 43 -11.437 4.222 8.719 1.00 17.00 H +ATOM 706 HA LEU A 43 -8.725 4.469 9.928 1.00 15.90 H +ATOM 707 HB2 LEU A 43 -9.623 6.286 8.086 1.00 17.22 H +ATOM 708 HB3 LEU A 43 -10.186 7.011 9.593 1.00 16.67 H +ATOM 709 HG LEU A 43 -7.914 6.850 10.531 1.00 16.46 H +ATOM 710 HD11 LEU A 43 -7.524 5.256 8.071 1.00 17.89 H +ATOM 711 HD12 LEU A 43 -6.216 6.381 8.439 1.00 17.56 H +ATOM 712 HD13 LEU A 43 -6.685 5.159 9.621 1.00 17.50 H +ATOM 713 HD21 LEU A 43 -8.800 8.694 8.766 1.00 17.31 H +ATOM 714 HD22 LEU A 43 -7.196 8.771 9.497 1.00 17.40 H +ATOM 715 HD23 LEU A 43 -7.398 8.098 7.879 1.00 17.53 H +ATOM 716 N ALA A 44 -11.527 4.337 11.216 1.00 15.34 N +ATOM 717 CA ALA A 44 -12.308 4.416 12.482 1.00 14.99 C +ATOM 718 C ALA A 44 -11.642 3.545 13.550 1.00 14.10 C +ATOM 719 O ALA A 44 -11.954 3.635 14.721 1.00 13.96 O +ATOM 720 CB ALA A 44 -13.735 3.922 12.236 1.00 15.58 C +ATOM 721 H ALA A 44 -11.827 3.748 10.492 1.00 15.48 H +ATOM 722 HA ALA A 44 -12.336 5.442 12.821 1.00 15.10 H +ATOM 723 HB1 ALA A 44 -13.733 3.211 11.423 1.00 15.78 H +ATOM 724 HB2 ALA A 44 -14.110 3.446 13.130 1.00 15.78 H +ATOM 725 HB3 ALA A 44 -14.367 4.760 11.980 1.00 15.73 H +ATOM 726 N HIS A 45 -10.727 2.702 13.153 1.00 13.65 N +ATOM 727 CA HIS A 45 -10.036 1.822 14.142 1.00 12.91 C +ATOM 728 C HIS A 45 -10.950 0.654 14.518 1.00 12.30 C +ATOM 729 O HIS A 45 -11.987 0.834 15.124 1.00 12.38 O +ATOM 730 CB HIS A 45 -9.698 2.629 15.397 1.00 12.96 C +ATOM 731 CG HIS A 45 -8.322 2.256 15.881 1.00 13.34 C +ATOM 732 ND1 HIS A 45 -7.174 2.830 15.357 1.00 13.54 N +ATOM 733 CD2 HIS A 45 -7.895 1.371 16.839 1.00 13.74 C +ATOM 734 CE1 HIS A 45 -6.122 2.289 15.999 1.00 14.03 C +ATOM 735 NE2 HIS A 45 -6.505 1.393 16.911 1.00 14.18 N +ATOM 736 H HIS A 45 -10.492 2.647 12.204 1.00 13.88 H +ATOM 737 HA HIS A 45 -9.125 1.439 13.705 1.00 12.98 H +ATOM 738 HB2 HIS A 45 -9.724 3.684 15.165 1.00 13.11 H +ATOM 739 HB3 HIS A 45 -10.420 2.412 16.169 1.00 12.79 H +ATOM 740 HD1 HIS A 45 -7.135 3.507 14.650 1.00 13.46 H +ATOM 741 HD2 HIS A 45 -8.540 0.752 17.445 1.00 13.85 H +ATOM 742 HE1 HIS A 45 -5.092 2.550 15.801 1.00 14.39 H +ATOM 743 N HIS A 46 -10.570 -0.545 14.165 1.00 11.87 N +ATOM 744 CA HIS A 46 -11.415 -1.725 14.503 1.00 11.46 C +ATOM 745 C HIS A 46 -10.910 -2.949 13.737 1.00 10.55 C +ATOM 746 O HIS A 46 -11.682 -3.766 13.277 1.00 10.53 O +ATOM 747 CB HIS A 46 -12.867 -1.445 14.115 1.00 11.84 C +ATOM 748 CG HIS A 46 -13.682 -1.211 15.357 1.00 12.35 C +ATOM 749 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 12.68 N +ATOM 750 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 12.80 C +ATOM 751 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 13.29 C +ATOM 752 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 13.39 N +ATOM 753 H HIS A 46 -9.729 -0.668 13.678 1.00 11.95 H +ATOM 754 HA HIS A 46 -11.356 -1.917 15.565 1.00 11.76 H +ATOM 755 HB2 HIS A 46 -12.908 -0.568 13.486 1.00 11.94 H +ATOM 756 HB3 HIS A 46 -13.266 -2.293 13.578 1.00 11.86 H +ATOM 757 HD1 HIS A 46 -14.478 0.705 14.933 1.00 12.63 H +ATOM 758 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 12.83 H +ATOM 759 HE1 HIS A 46 -15.662 0.609 17.169 1.00 13.77 H +ATOM 760 N PHE A 47 -9.619 -3.081 13.594 1.00 10.00 N +ATOM 761 CA PHE A 47 -9.068 -4.252 12.856 1.00 9.29 C +ATOM 762 C PHE A 47 -7.788 -4.732 13.542 1.00 8.27 C +ATOM 763 O PHE A 47 -7.818 -5.593 14.400 1.00 8.29 O +ATOM 764 CB PHE A 47 -8.753 -3.843 11.416 1.00 9.52 C +ATOM 765 CG PHE A 47 -9.856 -4.323 10.503 1.00 10.43 C +ATOM 766 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 10.86 C +ATOM 767 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 11.07 C +ATOM 768 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 11.86 C +ATOM 769 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 12.06 C +ATOM 770 CZ PHE A 47 -11.898 -5.214 8.807 1.00 12.43 C +ATOM 771 H PHE A 47 -9.013 -2.410 13.972 1.00 10.20 H +ATOM 772 HA PHE A 47 -9.796 -5.050 12.852 1.00 9.58 H +ATOM 773 HB2 PHE A 47 -8.680 -2.766 11.356 1.00 9.36 H +ATOM 774 HB3 PHE A 47 -7.817 -4.285 11.112 1.00 9.45 H +ATOM 775 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 10.55 H +ATOM 776 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 10.94 H +ATOM 777 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 12.32 H +ATOM 778 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 12.65 H +ATOM 779 HZ PHE A 47 -12.687 -5.558 8.153 1.00 13.28 H +ATOM 780 N SER A 48 -6.663 -4.183 13.173 1.00 7.61 N +ATOM 781 CA SER A 48 -5.384 -4.610 13.806 1.00 6.80 C +ATOM 782 C SER A 48 -5.133 -3.774 15.062 1.00 5.60 C +ATOM 783 O SER A 48 -4.778 -2.614 14.987 1.00 5.39 O +ATOM 784 CB SER A 48 -4.235 -4.407 12.817 1.00 7.36 C +ATOM 785 OG SER A 48 -4.383 -5.315 11.733 1.00 8.12 O +ATOM 786 H SER A 48 -6.660 -3.492 12.479 1.00 7.83 H +ATOM 787 HA SER A 48 -5.446 -5.654 14.075 1.00 6.96 H +ATOM 788 HB2 SER A 48 -4.258 -3.399 12.441 1.00 7.45 H +ATOM 789 HB3 SER A 48 -3.293 -4.580 13.321 1.00 7.39 H +ATOM 790 HG SER A 48 -4.490 -6.197 12.098 1.00 8.23 H +ATOM 791 N GLU A 49 -5.314 -4.354 16.217 1.00 5.12 N +ATOM 792 CA GLU A 49 -5.088 -3.594 17.478 1.00 4.22 C +ATOM 793 C GLU A 49 -3.595 -3.284 17.641 1.00 3.04 C +ATOM 794 O GLU A 49 -3.221 -2.140 17.803 1.00 3.18 O +ATOM 795 CB GLU A 49 -5.573 -4.425 18.668 1.00 4.88 C +ATOM 796 CG GLU A 49 -6.895 -3.852 19.184 1.00 5.77 C +ATOM 797 CD GLU A 49 -8.064 -4.586 18.523 1.00 6.71 C +ATOM 798 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 7.29 O +ATOM 799 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 7.09 O +ATOM 800 H GLU A 49 -5.601 -5.290 16.254 1.00 5.60 H +ATOM 801 HA GLU A 49 -5.641 -2.668 17.439 1.00 4.31 H +ATOM 802 HB2 GLU A 49 -5.720 -5.449 18.357 1.00 5.35 H +ATOM 803 HB3 GLU A 49 -4.836 -4.389 19.456 1.00 4.66 H +ATOM 804 HG2 GLU A 49 -6.949 -3.979 20.256 1.00 5.92 H +ATOM 805 HG3 GLU A 49 -6.952 -2.800 18.943 1.00 5.90 H +ATOM 806 N PRO A 50 -2.783 -4.313 17.599 1.00 2.28 N +ATOM 807 CA PRO A 50 -1.323 -4.162 17.748 1.00 1.48 C +ATOM 808 C PRO A 50 -0.760 -3.261 16.643 1.00 1.33 C +ATOM 809 O PRO A 50 -1.346 -3.116 15.586 1.00 1.29 O +ATOM 810 CB PRO A 50 -0.764 -5.586 17.621 1.00 2.00 C +ATOM 811 CG PRO A 50 -1.965 -6.548 17.434 1.00 2.71 C +ATOM 812 CD PRO A 50 -3.246 -5.699 17.403 1.00 2.87 C +ATOM 813 HA PRO A 50 -1.083 -3.761 18.719 1.00 1.64 H +ATOM 814 HB2 PRO A 50 -0.106 -5.646 16.764 1.00 2.42 H +ATOM 815 HB3 PRO A 50 -0.226 -5.851 18.518 1.00 2.16 H +ATOM 816 HG2 PRO A 50 -1.859 -7.089 16.504 1.00 3.49 H +ATOM 817 HG3 PRO A 50 -2.010 -7.242 18.259 1.00 2.78 H +ATOM 818 HD2 PRO A 50 -3.736 -5.806 16.447 1.00 3.66 H +ATOM 819 HD3 PRO A 50 -3.908 -5.988 18.204 1.00 3.03 H +ATOM 820 N GLU A 51 0.373 -2.658 16.879 1.00 1.30 N +ATOM 821 CA GLU A 51 0.975 -1.767 15.848 1.00 1.19 C +ATOM 822 C GLU A 51 1.393 -2.592 14.630 1.00 1.06 C +ATOM 823 O GLU A 51 0.764 -2.542 13.592 1.00 1.01 O +ATOM 824 CB GLU A 51 2.206 -1.070 16.431 1.00 1.29 C +ATOM 825 CG GLU A 51 1.789 -0.203 17.619 1.00 1.90 C +ATOM 826 CD GLU A 51 2.683 -0.519 18.818 1.00 2.25 C +ATOM 827 OE1 GLU A 51 2.686 -1.662 19.244 1.00 2.89 O +ATOM 828 OE2 GLU A 51 3.350 0.387 19.291 1.00 2.52 O +ATOM 829 H GLU A 51 0.827 -2.791 17.737 1.00 1.39 H +ATOM 830 HA GLU A 51 0.252 -1.024 15.547 1.00 1.17 H +ATOM 831 HB2 GLU A 51 2.917 -1.814 16.760 1.00 1.78 H +ATOM 832 HB3 GLU A 51 2.660 -0.448 15.674 1.00 1.39 H +ATOM 833 HG2 GLU A 51 1.893 0.841 17.355 1.00 2.21 H +ATOM 834 HG3 GLU A 51 0.761 -0.409 17.874 1.00 2.64 H +ATOM 835 N ILE A 52 2.456 -3.346 14.747 1.00 1.07 N +ATOM 836 CA ILE A 52 2.929 -4.170 13.602 1.00 0.98 C +ATOM 837 C ILE A 52 1.736 -4.780 12.861 1.00 0.89 C +ATOM 838 O ILE A 52 1.701 -4.817 11.647 1.00 0.82 O +ATOM 839 CB ILE A 52 3.841 -5.282 14.128 1.00 1.09 C +ATOM 840 CG1 ILE A 52 4.696 -5.806 12.981 1.00 1.29 C +ATOM 841 CG2 ILE A 52 3.002 -6.426 14.707 1.00 1.27 C +ATOM 842 CD1 ILE A 52 6.170 -5.541 13.287 1.00 2.11 C +ATOM 843 H ILE A 52 2.949 -3.364 15.591 1.00 1.17 H +ATOM 844 HA ILE A 52 3.489 -3.545 12.922 1.00 0.94 H +ATOM 845 HB ILE A 52 4.484 -4.886 14.901 1.00 1.22 H +ATOM 846 HG12 ILE A 52 4.533 -6.867 12.866 1.00 1.49 H +ATOM 847 HG13 ILE A 52 4.420 -5.295 12.071 1.00 1.36 H +ATOM 848 HG21 ILE A 52 2.268 -6.025 15.388 1.00 1.79 H +ATOM 849 HG22 ILE A 52 2.502 -6.947 13.903 1.00 1.73 H +ATOM 850 HG23 ILE A 52 3.646 -7.114 15.234 1.00 1.50 H +ATOM 851 HD11 ILE A 52 6.254 -4.654 13.897 1.00 2.58 H +ATOM 852 HD12 ILE A 52 6.584 -6.385 13.818 1.00 2.56 H +ATOM 853 HD13 ILE A 52 6.709 -5.395 12.363 1.00 2.50 H +ATOM 854 N THR A 53 0.758 -5.255 13.581 1.00 0.92 N +ATOM 855 CA THR A 53 -0.431 -5.857 12.915 1.00 0.87 C +ATOM 856 C THR A 53 -1.121 -4.799 12.050 1.00 0.77 C +ATOM 857 O THR A 53 -1.476 -5.047 10.914 1.00 0.69 O +ATOM 858 CB THR A 53 -1.408 -6.385 13.972 1.00 0.99 C +ATOM 859 OG1 THR A 53 -1.442 -5.496 15.082 1.00 1.57 O +ATOM 860 CG2 THR A 53 -0.954 -7.768 14.440 1.00 1.43 C +ATOM 861 H THR A 53 0.804 -5.213 14.558 1.00 1.01 H +ATOM 862 HA THR A 53 -0.109 -6.675 12.287 1.00 0.85 H +ATOM 863 HB THR A 53 -2.394 -6.462 13.543 1.00 1.38 H +ATOM 864 HG1 THR A 53 -0.975 -4.697 14.839 1.00 1.99 H +ATOM 865 HG21 THR A 53 -0.301 -8.202 13.699 1.00 1.95 H +ATOM 866 HG22 THR A 53 -0.424 -7.675 15.377 1.00 1.96 H +ATOM 867 HG23 THR A 53 -1.816 -8.402 14.577 1.00 1.85 H +ATOM 868 N LEU A 54 -1.329 -3.623 12.576 1.00 0.81 N +ATOM 869 CA LEU A 54 -2.006 -2.571 11.766 1.00 0.74 C +ATOM 870 C LEU A 54 -1.043 -2.026 10.710 1.00 0.62 C +ATOM 871 O LEU A 54 -1.398 -1.894 9.558 1.00 0.52 O +ATOM 872 CB LEU A 54 -2.459 -1.422 12.674 1.00 0.87 C +ATOM 873 CG LEU A 54 -3.787 -0.853 12.165 1.00 1.11 C +ATOM 874 CD1 LEU A 54 -4.040 0.507 12.818 1.00 1.02 C +ATOM 875 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 1.63 C +ATOM 876 H LEU A 54 -1.047 -3.435 13.496 1.00 0.89 H +ATOM 877 HA LEU A 54 -2.866 -2.997 11.271 1.00 0.73 H +ATOM 878 HB2 LEU A 54 -2.591 -1.789 13.681 1.00 1.12 H +ATOM 879 HB3 LEU A 54 -1.712 -0.644 12.669 1.00 1.06 H +ATOM 880 HG LEU A 54 -4.590 -1.529 12.422 1.00 1.49 H +ATOM 881 HD11 LEU A 54 -3.240 0.729 13.508 1.00 1.17 H +ATOM 882 HD12 LEU A 54 -4.079 1.271 12.055 1.00 1.50 H +ATOM 883 HD13 LEU A 54 -4.979 0.481 13.351 1.00 1.52 H +ATOM 884 HD21 LEU A 54 -2.822 -0.159 10.375 1.00 2.19 H +ATOM 885 HD22 LEU A 54 -3.743 -1.650 10.171 1.00 1.88 H +ATOM 886 HD23 LEU A 54 -4.584 -0.106 10.315 1.00 2.07 H +ATOM 887 N ILE A 55 0.167 -1.697 11.078 1.00 0.66 N +ATOM 888 CA ILE A 55 1.107 -1.158 10.055 1.00 0.59 C +ATOM 889 C ILE A 55 1.260 -2.171 8.918 1.00 0.48 C +ATOM 890 O ILE A 55 1.135 -1.833 7.757 1.00 0.39 O +ATOM 891 CB ILE A 55 2.472 -0.900 10.695 1.00 0.70 C +ATOM 892 CG1 ILE A 55 2.311 0.071 11.868 1.00 0.89 C +ATOM 893 CG2 ILE A 55 3.414 -0.291 9.654 1.00 0.73 C +ATOM 894 CD1 ILE A 55 3.576 0.043 12.728 1.00 1.02 C +ATOM 895 H ILE A 55 0.451 -1.799 12.011 1.00 0.76 H +ATOM 896 HA ILE A 55 0.714 -0.232 9.661 1.00 0.57 H +ATOM 897 HB ILE A 55 2.886 -1.832 11.051 1.00 0.70 H +ATOM 898 HG12 ILE A 55 2.154 1.070 11.489 1.00 0.95 H +ATOM 899 HG13 ILE A 55 1.464 -0.227 12.467 1.00 0.95 H +ATOM 900 HG21 ILE A 55 3.450 -0.930 8.784 1.00 1.16 H +ATOM 901 HG22 ILE A 55 3.053 0.686 9.369 1.00 1.26 H +ATOM 902 HG23 ILE A 55 4.404 -0.200 10.075 1.00 1.34 H +ATOM 903 HD11 ILE A 55 4.369 -0.453 12.188 1.00 1.45 H +ATOM 904 HD12 ILE A 55 3.876 1.055 12.960 1.00 1.40 H +ATOM 905 HD13 ILE A 55 3.377 -0.492 13.646 1.00 1.51 H +ATOM 906 N ILE A 56 1.500 -3.417 9.237 1.00 0.51 N +ATOM 907 CA ILE A 56 1.622 -4.438 8.159 1.00 0.45 C +ATOM 908 C ILE A 56 0.327 -4.451 7.349 1.00 0.35 C +ATOM 909 O ILE A 56 0.335 -4.430 6.132 1.00 0.30 O +ATOM 910 CB ILE A 56 1.892 -5.820 8.767 1.00 0.52 C +ATOM 911 CG1 ILE A 56 2.302 -6.791 7.658 1.00 1.19 C +ATOM 912 CG2 ILE A 56 0.637 -6.344 9.462 1.00 1.41 C +ATOM 913 CD1 ILE A 56 3.696 -7.344 7.956 1.00 1.86 C +ATOM 914 H ILE A 56 1.577 -3.680 10.179 1.00 0.59 H +ATOM 915 HA ILE A 56 2.443 -4.168 7.509 1.00 0.46 H +ATOM 916 HB ILE A 56 2.690 -5.741 9.488 1.00 1.05 H +ATOM 917 HG12 ILE A 56 1.592 -7.604 7.612 1.00 1.77 H +ATOM 918 HG13 ILE A 56 2.317 -6.271 6.712 1.00 1.90 H +ATOM 919 HG21 ILE A 56 -0.167 -6.424 8.747 1.00 1.89 H +ATOM 920 HG22 ILE A 56 0.841 -7.317 9.884 1.00 1.87 H +ATOM 921 HG23 ILE A 56 0.356 -5.665 10.249 1.00 2.07 H +ATOM 922 HD11 ILE A 56 4.167 -6.743 8.719 1.00 2.48 H +ATOM 923 HD12 ILE A 56 3.612 -8.364 8.302 1.00 2.31 H +ATOM 924 HD13 ILE A 56 4.294 -7.317 7.057 1.00 2.21 H +ATOM 925 N PHE A 57 -0.790 -4.478 8.027 1.00 0.37 N +ATOM 926 CA PHE A 57 -2.104 -4.486 7.319 1.00 0.34 C +ATOM 927 C PHE A 57 -2.201 -3.262 6.412 1.00 0.29 C +ATOM 928 O PHE A 57 -2.590 -3.358 5.265 1.00 0.27 O +ATOM 929 CB PHE A 57 -3.253 -4.459 8.333 1.00 0.44 C +ATOM 930 CG PHE A 57 -3.822 -5.851 8.480 1.00 1.05 C +ATOM 931 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 1.80 C +ATOM 932 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 1.97 C +ATOM 933 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 2.57 C +ATOM 934 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 2.71 C +ATOM 935 CZ PHE A 57 -4.876 -8.431 8.751 1.00 2.81 C +ATOM 936 H PHE A 57 -0.761 -4.493 9.007 1.00 0.43 H +ATOM 937 HA PHE A 57 -2.178 -5.382 6.718 1.00 0.34 H +ATOM 938 HB2 PHE A 57 -2.889 -4.114 9.290 1.00 0.94 H +ATOM 939 HB3 PHE A 57 -4.026 -3.792 7.982 1.00 0.81 H +ATOM 940 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 2.26 H +ATOM 941 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 2.49 H +ATOM 942 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 3.32 H +ATOM 943 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 3.52 H +ATOM 944 HZ PHE A 57 -5.282 -9.426 8.854 1.00 3.51 H +ATOM 945 N GLY A 58 -1.860 -2.109 6.916 1.00 0.30 N +ATOM 946 CA GLY A 58 -1.944 -0.879 6.079 1.00 0.28 C +ATOM 947 C GLY A 58 -1.104 -1.069 4.816 1.00 0.22 C +ATOM 948 O GLY A 58 -1.550 -0.791 3.722 1.00 0.23 O +ATOM 949 H GLY A 58 -1.556 -2.049 7.847 1.00 0.34 H +ATOM 950 HA2 GLY A 58 -2.975 -0.700 5.804 1.00 0.31 H +ATOM 951 HA3 GLY A 58 -1.567 -0.035 6.637 1.00 0.31 H +ATOM 952 N VAL A 59 0.103 -1.549 4.949 1.00 0.22 N +ATOM 953 CA VAL A 59 0.941 -1.756 3.736 1.00 0.23 C +ATOM 954 C VAL A 59 0.193 -2.684 2.776 1.00 0.22 C +ATOM 955 O VAL A 59 0.058 -2.403 1.600 1.00 0.23 O +ATOM 956 CB VAL A 59 2.272 -2.387 4.143 1.00 0.27 C +ATOM 957 CG1 VAL A 59 3.116 -2.655 2.896 1.00 0.33 C +ATOM 958 CG2 VAL A 59 3.021 -1.426 5.071 1.00 0.30 C +ATOM 959 H VAL A 59 0.451 -1.777 5.837 1.00 0.24 H +ATOM 960 HA VAL A 59 1.124 -0.809 3.253 1.00 0.25 H +ATOM 961 HB VAL A 59 2.086 -3.319 4.659 1.00 0.30 H +ATOM 962 HG11 VAL A 59 2.468 -2.738 2.035 1.00 0.98 H +ATOM 963 HG12 VAL A 59 3.809 -1.839 2.748 1.00 1.10 H +ATOM 964 HG13 VAL A 59 3.665 -3.576 3.024 1.00 1.05 H +ATOM 965 HG21 VAL A 59 2.314 -0.762 5.549 1.00 0.93 H +ATOM 966 HG22 VAL A 59 3.550 -1.991 5.825 1.00 1.14 H +ATOM 967 HG23 VAL A 59 3.726 -0.845 4.496 1.00 1.08 H +ATOM 968 N MET A 60 -0.323 -3.774 3.276 1.00 0.22 N +ATOM 969 CA MET A 60 -1.094 -4.700 2.401 1.00 0.23 C +ATOM 970 C MET A 60 -2.254 -3.926 1.773 1.00 0.24 C +ATOM 971 O MET A 60 -2.497 -3.992 0.583 1.00 0.25 O +ATOM 972 CB MET A 60 -1.641 -5.858 3.238 1.00 0.26 C +ATOM 973 CG MET A 60 -0.478 -6.620 3.877 1.00 0.32 C +ATOM 974 SD MET A 60 -1.054 -8.243 4.436 1.00 1.15 S +ATOM 975 CE MET A 60 -2.280 -7.654 5.630 1.00 1.83 C +ATOM 976 H MET A 60 -0.224 -3.971 4.232 1.00 0.22 H +ATOM 977 HA MET A 60 -0.450 -5.085 1.623 1.00 0.25 H +ATOM 978 HB2 MET A 60 -2.287 -5.468 4.012 1.00 0.29 H +ATOM 979 HB3 MET A 60 -2.203 -6.527 2.604 1.00 0.30 H +ATOM 980 HG2 MET A 60 0.310 -6.750 3.151 1.00 0.69 H +ATOM 981 HG3 MET A 60 -0.103 -6.061 4.721 1.00 0.71 H +ATOM 982 HE1 MET A 60 -2.890 -6.888 5.171 1.00 2.42 H +ATOM 983 HE2 MET A 60 -2.909 -8.473 5.937 1.00 2.17 H +ATOM 984 HE3 MET A 60 -1.773 -7.247 6.495 1.00 2.39 H +ATOM 985 N ALA A 61 -2.967 -3.187 2.580 1.00 0.25 N +ATOM 986 CA ALA A 61 -4.115 -2.391 2.068 1.00 0.27 C +ATOM 987 C ALA A 61 -3.638 -1.441 0.964 1.00 0.26 C +ATOM 988 O ALA A 61 -4.262 -1.329 -0.073 1.00 0.27 O +ATOM 989 CB ALA A 61 -4.761 -1.600 3.215 1.00 0.31 C +ATOM 990 H ALA A 61 -2.741 -3.154 3.532 1.00 0.25 H +ATOM 991 HA ALA A 61 -4.850 -3.067 1.652 1.00 0.29 H +ATOM 992 HB1 ALA A 61 -4.117 -1.623 4.082 1.00 1.02 H +ATOM 993 HB2 ALA A 61 -4.922 -0.576 2.909 1.00 1.10 H +ATOM 994 HB3 ALA A 61 -5.711 -2.049 3.467 1.00 1.06 H +ATOM 995 N GLY A 62 -2.547 -0.744 1.170 1.00 0.25 N +ATOM 996 CA GLY A 62 -2.071 0.195 0.118 1.00 0.26 C +ATOM 997 C GLY A 62 -1.867 -0.571 -1.186 1.00 0.24 C +ATOM 998 O GLY A 62 -2.311 -0.149 -2.235 1.00 0.24 O +ATOM 999 H GLY A 62 -2.048 -0.834 2.007 1.00 0.25 H +ATOM 1000 HA2 GLY A 62 -2.807 0.974 -0.029 1.00 0.29 H +ATOM 1001 HA3 GLY A 62 -1.135 0.635 0.424 1.00 0.27 H +ATOM 1002 N VAL A 63 -1.212 -1.699 -1.139 1.00 0.22 N +ATOM 1003 CA VAL A 63 -1.011 -2.474 -2.397 1.00 0.21 C +ATOM 1004 C VAL A 63 -2.378 -2.781 -3.018 1.00 0.21 C +ATOM 1005 O VAL A 63 -2.596 -2.580 -4.197 1.00 0.21 O +ATOM 1006 CB VAL A 63 -0.285 -3.784 -2.087 1.00 0.23 C +ATOM 1007 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 0.28 C +ATOM 1008 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 0.31 C +ATOM 1009 H VAL A 63 -0.861 -2.036 -0.285 1.00 0.22 H +ATOM 1010 HA VAL A 63 -0.422 -1.889 -3.090 1.00 0.22 H +ATOM 1011 HB VAL A 63 -0.882 -4.373 -1.408 1.00 0.28 H +ATOM 1012 HG11 VAL A 63 -0.997 -4.624 -3.930 1.00 0.98 H +ATOM 1013 HG12 VAL A 63 0.674 -4.062 -3.988 1.00 1.07 H +ATOM 1014 HG13 VAL A 63 0.277 -5.562 -3.150 1.00 1.13 H +ATOM 1015 HG21 VAL A 63 1.555 -2.681 -1.991 1.00 0.96 H +ATOM 1016 HG22 VAL A 63 0.921 -3.172 -0.420 1.00 1.07 H +ATOM 1017 HG23 VAL A 63 1.690 -4.361 -1.472 1.00 1.14 H +ATOM 1018 N ILE A 64 -3.305 -3.257 -2.227 1.00 0.23 N +ATOM 1019 CA ILE A 64 -4.661 -3.568 -2.763 1.00 0.25 C +ATOM 1020 C ILE A 64 -5.271 -2.314 -3.398 1.00 0.26 C +ATOM 1021 O ILE A 64 -5.803 -2.356 -4.489 1.00 0.26 O +ATOM 1022 CB ILE A 64 -5.560 -4.050 -1.624 1.00 0.30 C +ATOM 1023 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 0.32 C +ATOM 1024 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 0.40 C +ATOM 1025 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 1.06 C +ATOM 1026 H ILE A 64 -3.110 -3.409 -1.278 1.00 0.24 H +ATOM 1027 HA ILE A 64 -4.582 -4.345 -3.509 1.00 0.26 H +ATOM 1028 HB ILE A 64 -5.529 -3.335 -0.814 1.00 0.33 H +ATOM 1029 HG12 ILE A 64 -5.463 -6.190 -1.760 1.00 0.77 H +ATOM 1030 HG13 ILE A 64 -3.986 -5.435 -1.159 1.00 0.79 H +ATOM 1031 HG21 ILE A 64 -6.999 -4.697 -3.081 1.00 1.11 H +ATOM 1032 HG22 ILE A 64 -7.579 -4.750 -1.416 1.00 1.08 H +ATOM 1033 HG23 ILE A 64 -7.431 -3.203 -2.249 1.00 1.05 H +ATOM 1034 HD11 ILE A 64 -5.461 -4.704 0.861 1.00 1.59 H +ATOM 1035 HD12 ILE A 64 -6.560 -5.969 0.309 1.00 1.60 H +ATOM 1036 HD13 ILE A 64 -4.911 -6.379 0.781 1.00 1.66 H +ATOM 1037 N GLY A 65 -5.205 -1.198 -2.720 1.00 0.27 N +ATOM 1038 CA GLY A 65 -5.790 0.052 -3.281 1.00 0.30 C +ATOM 1039 C GLY A 65 -5.162 0.350 -4.642 1.00 0.27 C +ATOM 1040 O GLY A 65 -5.849 0.644 -5.600 1.00 0.29 O +ATOM 1041 H GLY A 65 -4.779 -1.184 -1.838 1.00 0.28 H +ATOM 1042 HA2 GLY A 65 -6.857 -0.071 -3.395 1.00 0.33 H +ATOM 1043 HA3 GLY A 65 -5.591 0.874 -2.611 1.00 0.33 H +ATOM 1044 N THR A 66 -3.863 0.275 -4.741 1.00 0.24 N +ATOM 1045 CA THR A 66 -3.207 0.554 -6.048 1.00 0.24 C +ATOM 1046 C THR A 66 -3.780 -0.388 -7.107 1.00 0.24 C +ATOM 1047 O THR A 66 -4.144 0.026 -8.190 1.00 0.28 O +ATOM 1048 CB THR A 66 -1.698 0.331 -5.925 1.00 0.25 C +ATOM 1049 OG1 THR A 66 -1.204 1.052 -4.804 1.00 0.32 O +ATOM 1050 CG2 THR A 66 -1.006 0.823 -7.198 1.00 0.28 C +ATOM 1051 H THR A 66 -3.322 0.034 -3.959 1.00 0.24 H +ATOM 1052 HA THR A 66 -3.399 1.578 -6.336 1.00 0.28 H +ATOM 1053 HB THR A 66 -1.498 -0.721 -5.794 1.00 0.25 H +ATOM 1054 HG1 THR A 66 -1.525 0.620 -4.008 1.00 0.39 H +ATOM 1055 HG21 THR A 66 -1.502 0.405 -8.062 1.00 1.00 H +ATOM 1056 HG22 THR A 66 -1.057 1.901 -7.242 1.00 1.09 H +ATOM 1057 HG23 THR A 66 0.028 0.512 -7.190 1.00 0.99 H +ATOM 1058 N ILE A 67 -3.872 -1.654 -6.801 1.00 0.23 N +ATOM 1059 CA ILE A 67 -4.433 -2.616 -7.791 1.00 0.29 C +ATOM 1060 C ILE A 67 -5.841 -2.165 -8.189 1.00 0.33 C +ATOM 1061 O ILE A 67 -6.184 -2.115 -9.353 1.00 0.40 O +ATOM 1062 CB ILE A 67 -4.498 -4.012 -7.168 1.00 0.33 C +ATOM 1063 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 0.34 C +ATOM 1064 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 0.40 C +ATOM 1065 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 0.41 C +ATOM 1066 H ILE A 67 -3.580 -1.970 -5.920 1.00 0.21 H +ATOM 1067 HA ILE A 67 -3.801 -2.642 -8.667 1.00 0.32 H +ATOM 1068 HB ILE A 67 -4.953 -3.949 -6.190 1.00 0.34 H +ATOM 1069 HG12 ILE A 67 -2.722 -4.870 -8.014 1.00 0.40 H +ATOM 1070 HG13 ILE A 67 -2.429 -3.825 -6.624 1.00 0.34 H +ATOM 1071 HG21 ILE A 67 -5.576 -4.419 -8.978 1.00 1.10 H +ATOM 1072 HG22 ILE A 67 -4.768 -5.824 -8.285 1.00 0.98 H +ATOM 1073 HG23 ILE A 67 -6.244 -5.202 -7.546 1.00 1.06 H +ATOM 1074 HD11 ILE A 67 -3.536 -5.523 -5.165 1.00 1.07 H +ATOM 1075 HD12 ILE A 67 -3.688 -6.582 -6.566 1.00 1.11 H +ATOM 1076 HD13 ILE A 67 -2.090 -6.147 -5.960 1.00 1.14 H +ATOM 1077 N LEU A 68 -6.654 -1.828 -7.225 1.00 0.33 N +ATOM 1078 CA LEU A 68 -8.036 -1.371 -7.533 1.00 0.41 C +ATOM 1079 C LEU A 68 -7.963 -0.162 -8.476 1.00 0.44 C +ATOM 1080 O LEU A 68 -8.666 -0.088 -9.464 1.00 0.51 O +ATOM 1081 CB LEU A 68 -8.758 -1.027 -6.210 1.00 0.44 C +ATOM 1082 CG LEU A 68 -9.339 0.393 -6.232 1.00 0.76 C +ATOM 1083 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 1.14 C +ATOM 1084 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 1.06 C +ATOM 1085 H LEU A 68 -6.353 -1.870 -6.293 1.00 0.30 H +ATOM 1086 HA LEU A 68 -8.568 -2.171 -8.030 1.00 0.46 H +ATOM 1087 HB2 LEU A 68 -9.561 -1.731 -6.053 1.00 0.70 H +ATOM 1088 HB3 LEU A 68 -8.055 -1.108 -5.394 1.00 0.61 H +ATOM 1089 HG LEU A 68 -8.589 1.081 -6.591 1.00 0.84 H +ATOM 1090 HD11 LEU A 68 -11.151 -0.454 -7.012 1.00 1.55 H +ATOM 1091 HD12 LEU A 68 -11.153 1.307 -6.926 1.00 1.54 H +ATOM 1092 HD13 LEU A 68 -10.229 0.487 -8.184 1.00 1.72 H +ATOM 1093 HD21 LEU A 68 -9.616 -0.048 -4.148 1.00 1.51 H +ATOM 1094 HD22 LEU A 68 -9.163 1.625 -4.481 1.00 1.52 H +ATOM 1095 HD23 LEU A 68 -10.804 1.071 -4.816 1.00 1.60 H +ATOM 1096 N LEU A 69 -7.120 0.789 -8.172 1.00 0.40 N +ATOM 1097 CA LEU A 69 -7.008 1.991 -9.048 1.00 0.47 C +ATOM 1098 C LEU A 69 -6.666 1.556 -10.474 1.00 0.51 C +ATOM 1099 O LEU A 69 -7.269 2.002 -11.429 1.00 0.60 O +ATOM 1100 CB LEU A 69 -5.905 2.912 -8.516 1.00 0.47 C +ATOM 1101 CG LEU A 69 -5.953 4.249 -9.259 1.00 1.14 C +ATOM 1102 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 2.02 C +ATOM 1103 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 1.67 C +ATOM 1104 H LEU A 69 -6.563 0.709 -7.368 1.00 0.36 H +ATOM 1105 HA LEU A 69 -7.950 2.524 -9.054 1.00 0.54 H +ATOM 1106 HB2 LEU A 69 -6.056 3.081 -7.460 1.00 0.81 H +ATOM 1107 HB3 LEU A 69 -4.942 2.449 -8.674 1.00 0.89 H +ATOM 1108 HG LEU A 69 -5.755 4.085 -10.309 1.00 1.90 H +ATOM 1109 HD11 LEU A 69 -7.737 4.623 -8.124 1.00 2.49 H +ATOM 1110 HD12 LEU A 69 -7.256 5.952 -9.177 1.00 2.41 H +ATOM 1111 HD13 LEU A 69 -7.996 4.507 -9.864 1.00 2.62 H +ATOM 1112 HD21 LEU A 69 -4.280 4.654 -7.972 1.00 2.08 H +ATOM 1113 HD22 LEU A 69 -4.277 5.573 -9.479 1.00 2.26 H +ATOM 1114 HD23 LEU A 69 -5.383 6.015 -8.179 1.00 2.09 H +ATOM 1115 N ILE A 70 -5.705 0.687 -10.629 1.00 0.47 N +ATOM 1116 CA ILE A 70 -5.336 0.228 -11.998 1.00 0.57 C +ATOM 1117 C ILE A 70 -6.563 -0.366 -12.683 1.00 0.65 C +ATOM 1118 O ILE A 70 -6.864 -0.045 -13.815 1.00 0.77 O +ATOM 1119 CB ILE A 70 -4.238 -0.832 -11.904 1.00 0.55 C +ATOM 1120 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 0.51 C +ATOM 1121 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 0.66 C +ATOM 1122 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 0.54 C +ATOM 1123 H ILE A 70 -5.229 0.334 -9.848 1.00 0.40 H +ATOM 1124 HA ILE A 70 -4.979 1.067 -12.578 1.00 0.62 H +ATOM 1125 HB ILE A 70 -4.577 -1.644 -11.276 1.00 0.53 H +ATOM 1126 HG12 ILE A 70 -2.503 0.425 -12.035 1.00 0.59 H +ATOM 1127 HG13 ILE A 70 -3.247 0.382 -10.436 1.00 0.48 H +ATOM 1128 HG21 ILE A 70 -4.284 -0.669 -14.043 1.00 1.39 H +ATOM 1129 HG22 ILE A 70 -2.853 -1.482 -13.409 1.00 1.07 H +ATOM 1130 HG23 ILE A 70 -4.404 -2.321 -13.439 1.00 1.17 H +ATOM 1131 HD11 ILE A 70 -2.575 -2.193 -10.592 1.00 1.13 H +ATOM 1132 HD12 ILE A 70 -1.360 -1.558 -11.701 1.00 1.23 H +ATOM 1133 HD13 ILE A 70 -1.424 -0.978 -10.035 1.00 1.10 H +ATOM 1134 N SER A 71 -7.284 -1.220 -12.011 1.00 0.63 N +ATOM 1135 CA SER A 71 -8.492 -1.807 -12.649 1.00 0.76 C +ATOM 1136 C SER A 71 -9.414 -0.667 -13.069 1.00 0.83 C +ATOM 1137 O SER A 71 -9.898 -0.620 -14.183 1.00 0.95 O +ATOM 1138 CB SER A 71 -9.215 -2.712 -11.651 1.00 0.74 C +ATOM 1139 OG SER A 71 -8.357 -2.976 -10.549 1.00 1.53 O +ATOM 1140 H SER A 71 -7.036 -1.467 -11.096 1.00 0.55 H +ATOM 1141 HA SER A 71 -8.202 -2.379 -13.519 1.00 0.83 H +ATOM 1142 HB2 SER A 71 -10.107 -2.222 -11.299 1.00 1.04 H +ATOM 1143 HB3 SER A 71 -9.486 -3.640 -12.140 1.00 1.03 H +ATOM 1144 HG SER A 71 -8.902 -3.050 -9.762 1.00 1.76 H +ATOM 1145 N TYR A 72 -9.648 0.266 -12.187 1.00 0.77 N +ATOM 1146 CA TYR A 72 -10.522 1.416 -12.538 1.00 0.87 C +ATOM 1147 C TYR A 72 -9.950 2.131 -13.767 1.00 0.94 C +ATOM 1148 O TYR A 72 -10.658 2.427 -14.708 1.00 1.07 O +ATOM 1149 CB TYR A 72 -10.580 2.390 -11.361 1.00 0.83 C +ATOM 1150 CG TYR A 72 -11.997 2.475 -10.846 1.00 1.09 C +ATOM 1151 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 1.68 C +ATOM 1152 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 1.74 C +ATOM 1153 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 2.03 C +ATOM 1154 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 1.99 C +ATOM 1155 CZ TYR A 72 -14.624 2.637 -9.891 1.00 1.84 C +ATOM 1156 OH TYR A 72 -15.920 2.717 -9.421 1.00 2.25 O +ATOM 1157 H TYR A 72 -9.238 0.213 -11.297 1.00 0.68 H +ATOM 1158 HA TYR A 72 -11.517 1.058 -12.760 1.00 0.96 H +ATOM 1159 HB2 TYR A 72 -9.930 2.038 -10.572 1.00 0.85 H +ATOM 1160 HB3 TYR A 72 -10.256 3.367 -11.685 1.00 0.87 H +ATOM 1161 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 2.29 H +ATOM 1162 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 2.42 H +ATOM 1163 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 2.78 H +ATOM 1164 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 2.69 H +ATOM 1165 HH TYR A 72 -15.906 3.214 -8.599 1.00 2.43 H +ATOM 1166 N GLY A 73 -8.670 2.405 -13.767 1.00 0.88 N +ATOM 1167 CA GLY A 73 -8.058 3.094 -14.938 1.00 0.98 C +ATOM 1168 C GLY A 73 -8.314 2.269 -16.198 1.00 1.10 C +ATOM 1169 O GLY A 73 -8.734 2.784 -17.215 1.00 1.24 O +ATOM 1170 H GLY A 73 -8.113 2.157 -13.001 1.00 0.78 H +ATOM 1171 HA2 GLY A 73 -8.498 4.074 -15.050 1.00 1.05 H +ATOM 1172 HA3 GLY A 73 -6.994 3.190 -14.786 1.00 0.93 H +ATOM 1173 N ILE A 74 -8.073 0.988 -16.135 1.00 1.07 N +ATOM 1174 CA ILE A 74 -8.317 0.133 -17.332 1.00 1.22 C +ATOM 1175 C ILE A 74 -9.781 0.283 -17.758 1.00 1.34 C +ATOM 1176 O ILE A 74 -10.082 0.473 -18.918 1.00 1.50 O +ATOM 1177 CB ILE A 74 -8.007 -1.334 -16.993 1.00 1.20 C +ATOM 1178 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 1.37 C +ATOM 1179 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 1.50 C +ATOM 1180 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 1.81 C +ATOM 1181 H ILE A 74 -7.737 0.590 -15.301 1.00 0.95 H +ATOM 1182 HA ILE A 74 -7.674 0.458 -18.139 1.00 1.29 H +ATOM 1183 HB ILE A 74 -8.338 -1.550 -15.989 1.00 1.42 H +ATOM 1184 HG12 ILE A 74 -6.312 -2.550 -17.507 1.00 1.68 H +ATOM 1185 HG13 ILE A 74 -6.062 -0.820 -17.745 1.00 1.85 H +ATOM 1186 HG21 ILE A 74 -8.746 -1.808 -18.955 1.00 1.93 H +ATOM 1187 HG22 ILE A 74 -8.201 -3.207 -18.030 1.00 1.99 H +ATOM 1188 HG23 ILE A 74 -9.737 -2.434 -17.638 1.00 1.84 H +ATOM 1189 HD11 ILE A 74 -6.547 -1.861 -14.973 1.00 2.15 H +ATOM 1190 HD12 ILE A 74 -4.945 -2.033 -15.691 1.00 2.28 H +ATOM 1191 HD13 ILE A 74 -5.653 -0.431 -15.486 1.00 2.29 H +ATOM 1192 N ARG A 75 -10.691 0.199 -16.825 1.00 1.29 N +ATOM 1193 CA ARG A 75 -12.136 0.339 -17.174 1.00 1.42 C +ATOM 1194 C ARG A 75 -12.369 1.682 -17.864 1.00 1.52 C +ATOM 1195 O ARG A 75 -13.025 1.754 -18.885 1.00 1.68 O +ATOM 1196 CB ARG A 75 -12.990 0.260 -15.904 1.00 1.36 C +ATOM 1197 CG ARG A 75 -14.446 -0.010 -16.285 1.00 1.61 C +ATOM 1198 CD ARG A 75 -15.272 1.263 -16.091 1.00 1.77 C +ATOM 1199 NE ARG A 75 -15.021 1.815 -14.730 1.00 1.70 N +ATOM 1200 CZ ARG A 75 -15.373 3.040 -14.448 1.00 2.10 C +ATOM 1201 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 2.69 N +ATOM 1202 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 2.54 N +ATOM 1203 H ARG A 75 -10.422 0.046 -15.896 1.00 1.17 H +ATOM 1204 HA ARG A 75 -12.419 -0.458 -17.849 1.00 1.53 H +ATOM 1205 HB2 ARG A 75 -12.628 -0.541 -15.274 1.00 1.77 H +ATOM 1206 HB3 ARG A 75 -12.928 1.196 -15.369 1.00 1.52 H +ATOM 1207 HG2 ARG A 75 -14.495 -0.318 -17.320 1.00 2.02 H +ATOM 1208 HG3 ARG A 75 -14.843 -0.794 -15.656 1.00 2.12 H +ATOM 1209 HD2 ARG A 75 -14.987 1.993 -16.834 1.00 2.20 H +ATOM 1210 HD3 ARG A 75 -16.322 1.031 -16.197 1.00 2.01 H +ATOM 1211 HE ARG A 75 -14.591 1.260 -14.047 1.00 1.66 H +ATOM 1212 HH11 ARG A 75 -17.276 2.787 -15.017 1.00 3.04 H +ATOM 1213 HH12 ARG A 75 -16.874 4.367 -14.433 1.00 3.11 H +ATOM 1214 HH21 ARG A 75 -13.553 3.580 -13.813 1.00 2.81 H +ATOM 1215 HH22 ARG A 75 -14.766 4.816 -13.751 1.00 2.97 H +ATOM 1216 N ARG A 76 -11.839 2.750 -17.329 1.00 1.43 N +ATOM 1217 CA ARG A 76 -12.046 4.070 -17.985 1.00 1.55 C +ATOM 1218 C ARG A 76 -11.541 3.960 -19.420 1.00 1.67 C +ATOM 1219 O ARG A 76 -12.216 4.328 -20.359 1.00 1.83 O +ATOM 1220 CB ARG A 76 -11.256 5.148 -17.239 1.00 1.45 C +ATOM 1221 CG ARG A 76 -11.601 6.524 -17.811 1.00 1.62 C +ATOM 1222 CD ARG A 76 -11.544 7.570 -16.696 1.00 1.72 C +ATOM 1223 NE ARG A 76 -11.975 8.895 -17.227 1.00 2.17 N +ATOM 1224 CZ ARG A 76 -11.658 9.250 -18.443 1.00 2.50 C +ATOM 1225 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 2.89 N +ATOM 1226 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 3.17 N +ATOM 1227 H ARG A 76 -11.309 2.682 -16.508 1.00 1.30 H +ATOM 1228 HA ARG A 76 -13.097 4.317 -17.987 1.00 1.63 H +ATOM 1229 HB2 ARG A 76 -11.513 5.120 -16.189 1.00 1.45 H +ATOM 1230 HB3 ARG A 76 -10.199 4.966 -17.356 1.00 1.41 H +ATOM 1231 HG2 ARG A 76 -10.891 6.780 -18.584 1.00 1.82 H +ATOM 1232 HG3 ARG A 76 -12.596 6.501 -18.230 1.00 2.06 H +ATOM 1233 HD2 ARG A 76 -12.203 7.275 -15.893 1.00 2.19 H +ATOM 1234 HD3 ARG A 76 -10.533 7.643 -16.323 1.00 2.00 H +ATOM 1235 HE ARG A 76 -12.498 9.503 -16.662 1.00 2.74 H +ATOM 1236 HH11 ARG A 76 -9.814 9.856 -17.950 1.00 3.01 H +ATOM 1237 HH12 ARG A 76 -10.234 10.017 -19.623 1.00 3.47 H +ATOM 1238 HH21 ARG A 76 -13.427 8.726 -19.222 1.00 3.47 H +ATOM 1239 HH22 ARG A 76 -12.279 9.378 -20.343 1.00 3.71 H +ATOM 1240 N LEU A 77 -10.372 3.412 -19.595 1.00 1.62 N +ATOM 1241 CA LEU A 77 -9.838 3.226 -20.968 1.00 1.76 C +ATOM 1242 C LEU A 77 -10.847 2.389 -21.754 1.00 1.92 C +ATOM 1243 O LEU A 77 -11.184 2.700 -22.877 1.00 2.09 O +ATOM 1244 CB LEU A 77 -8.499 2.489 -20.903 1.00 1.69 C +ATOM 1245 CG LEU A 77 -7.354 3.498 -20.979 1.00 1.72 C +ATOM 1246 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 1.72 C +ATOM 1247 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 2.01 C +ATOM 1248 H LEU A 77 -9.860 3.093 -18.823 1.00 1.49 H +ATOM 1249 HA LEU A 77 -9.707 4.186 -21.445 1.00 1.83 H +ATOM 1250 HB2 LEU A 77 -8.435 1.940 -19.974 1.00 1.59 H +ATOM 1251 HB3 LEU A 77 -8.425 1.802 -21.733 1.00 1.80 H +ATOM 1252 HG LEU A 77 -7.602 4.369 -20.388 1.00 1.71 H +ATOM 1253 HD11 LEU A 77 -6.215 1.793 -20.345 1.00 1.99 H +ATOM 1254 HD12 LEU A 77 -5.255 3.063 -21.106 1.00 2.11 H +ATOM 1255 HD13 LEU A 77 -5.854 3.274 -19.460 1.00 1.93 H +ATOM 1256 HD21 LEU A 77 -8.090 3.976 -22.938 1.00 2.56 H +ATOM 1257 HD22 LEU A 77 -6.646 4.873 -22.467 1.00 2.23 H +ATOM 1258 HD23 LEU A 77 -6.518 3.176 -22.929 1.00 2.13 H +ATOM 1259 N ILE A 78 -11.311 1.322 -21.144 1.00 1.89 N +ATOM 1260 CA ILE A 78 -12.300 0.399 -21.779 1.00 2.07 C +ATOM 1261 C ILE A 78 -11.558 -0.754 -22.449 1.00 2.17 C +ATOM 1262 O ILE A 78 -10.995 -0.618 -23.516 1.00 2.50 O +ATOM 1263 CB ILE A 78 -13.168 1.137 -22.798 1.00 2.14 C +ATOM 1264 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 2.13 C +ATOM 1265 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 2.25 C +ATOM 1266 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 2.38 C +ATOM 1267 H ILE A 78 -10.995 1.123 -20.241 1.00 1.77 H +ATOM 1268 HA ILE A 78 -12.939 -0.006 -21.005 1.00 2.26 H +ATOM 1269 HB ILE A 78 -12.565 1.442 -23.637 1.00 2.30 H +ATOM 1270 HG12 ILE A 78 -14.843 2.195 -21.975 1.00 2.27 H +ATOM 1271 HG13 ILE A 78 -13.310 2.523 -21.165 1.00 2.04 H +ATOM 1272 HG21 ILE A 78 -14.358 -0.639 -22.616 1.00 2.53 H +ATOM 1273 HG22 ILE A 78 -15.220 0.744 -23.290 1.00 2.38 H +ATOM 1274 HG23 ILE A 78 -14.055 -0.138 -24.279 1.00 2.56 H +ATOM 1275 HD11 ILE A 78 -13.193 3.293 -23.965 1.00 2.64 H +ATOM 1276 HD12 ILE A 78 -14.528 4.101 -23.144 1.00 2.66 H +ATOM 1277 HD13 ILE A 78 -12.883 4.269 -22.529 1.00 2.72 H +ATOM 1278 N LYS A 79 -11.549 -1.893 -21.810 1.00 2.25 N +ATOM 1279 CA LYS A 79 -10.841 -3.072 -22.378 1.00 2.60 C +ATOM 1280 C LYS A 79 -11.762 -3.803 -23.357 1.00 2.97 C +ATOM 1281 O LYS A 79 -12.865 -4.183 -23.019 1.00 3.27 O +ATOM 1282 CB LYS A 79 -10.447 -4.018 -21.239 1.00 2.80 C +ATOM 1283 CG LYS A 79 -9.148 -4.741 -21.598 1.00 3.38 C +ATOM 1284 CD LYS A 79 -8.868 -5.834 -20.563 1.00 3.94 C +ATOM 1285 CE LYS A 79 -8.755 -7.188 -21.268 1.00 4.56 C +ATOM 1286 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 5.22 N +ATOM 1287 H LYS A 79 -12.008 -1.968 -20.948 1.00 2.32 H +ATOM 1288 HA LYS A 79 -9.951 -2.744 -22.896 1.00 2.72 H +ATOM 1289 HB2 LYS A 79 -10.306 -3.447 -20.330 1.00 2.65 H +ATOM 1290 HB3 LYS A 79 -11.232 -4.745 -21.088 1.00 3.01 H +ATOM 1291 HG2 LYS A 79 -9.243 -5.186 -22.578 1.00 3.67 H +ATOM 1292 HG3 LYS A 79 -8.332 -4.034 -21.601 1.00 3.67 H +ATOM 1293 HD2 LYS A 79 -7.942 -5.615 -20.051 1.00 4.28 H +ATOM 1294 HD3 LYS A 79 -9.676 -5.869 -19.849 1.00 4.08 H +ATOM 1295 HE2 LYS A 79 -9.594 -7.317 -21.935 1.00 4.79 H +ATOM 1296 HE3 LYS A 79 -7.835 -7.223 -21.833 1.00 4.75 H +ATOM 1297 HZ1 LYS A 79 -9.627 -8.226 -19.688 1.00 5.33 H +ATOM 1298 HZ2 LYS A 79 -8.709 -9.199 -20.731 1.00 5.57 H +ATOM 1299 HZ3 LYS A 79 -7.929 -8.169 -19.627 1.00 5.57 H +ATOM 1300 N LYS A 80 -11.318 -3.995 -24.570 1.00 3.27 N +ATOM 1301 CA LYS A 80 -12.166 -4.698 -25.578 1.00 3.83 C +ATOM 1302 C LYS A 80 -13.409 -3.855 -25.871 1.00 4.00 C +ATOM 1303 O LYS A 80 -14.435 -4.438 -26.180 1.00 4.36 O +ATOM 1304 CB LYS A 80 -12.597 -6.068 -25.037 1.00 4.43 C +ATOM 1305 CG LYS A 80 -11.368 -6.950 -24.795 1.00 5.03 C +ATOM 1306 CD LYS A 80 -10.712 -7.300 -26.133 1.00 5.77 C +ATOM 1307 CE LYS A 80 -9.211 -7.513 -25.928 1.00 6.68 C +ATOM 1308 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 7.38 N +ATOM 1309 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 4.28 O +ATOM 1310 H LYS A 80 -10.426 -3.670 -24.821 1.00 3.31 H +ATOM 1311 HA LYS A 80 -11.603 -4.832 -26.490 1.00 4.17 H +ATOM 1312 HB2 LYS A 80 -13.133 -5.935 -24.109 1.00 4.57 H +ATOM 1313 HB3 LYS A 80 -13.243 -6.548 -25.756 1.00 4.74 H +ATOM 1314 HG2 LYS A 80 -10.659 -6.423 -24.173 1.00 5.27 H +ATOM 1315 HG3 LYS A 80 -11.672 -7.859 -24.299 1.00 5.11 H +ATOM 1316 HD2 LYS A 80 -11.156 -8.206 -26.523 1.00 5.83 H +ATOM 1317 HD3 LYS A 80 -10.867 -6.494 -26.833 1.00 5.97 H +ATOM 1318 HE2 LYS A 80 -8.712 -7.496 -26.886 1.00 6.97 H +ATOM 1319 HE3 LYS A 80 -8.818 -6.726 -25.303 1.00 6.87 H +ATOM 1320 HZ1 LYS A 80 -9.894 -9.262 -25.026 1.00 7.46 H +ATOM 1321 HZ2 LYS A 80 -8.467 -9.458 -25.926 1.00 7.83 H +ATOM 1322 HZ3 LYS A 80 -8.419 -8.696 -24.408 1.00 7.60 H diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/input/input.pdb index 4f46fc2..35fcdeb 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/input/input.pdb @@ -1,1324 +1,1322 @@ -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 18.74 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 18.11 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 17.30 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 17.26 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 18.42 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 18.58 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 18.59 C -ATOM 8 H1 VAL A 1 1.515 -20.822 8.553 1.00 18.63 H -ATOM 9 H2 VAL A 1 1.445 -20.096 7.018 1.00 19.07 H -ATOM 10 H3 VAL A 1 2.948 -20.460 7.716 1.00 19.08 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 18.15 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 18.56 H -ATOM 13 HG11 VAL A 1 -0.277 -19.650 9.164 1.00 18.56 H -ATOM 14 HG12 VAL A 1 -1.337 -18.334 8.655 1.00 18.83 H -ATOM 15 HG13 VAL A 1 -0.699 -19.465 7.461 1.00 18.58 H -ATOM 16 HG21 VAL A 1 1.546 -16.272 9.094 1.00 18.63 H -ATOM 17 HG22 VAL A 1 -0.159 -16.144 8.663 1.00 18.86 H -ATOM 18 HG23 VAL A 1 0.327 -17.098 10.064 1.00 18.54 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 16.78 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 16.11 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 15.69 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 15.68 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 16.10 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 15.49 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 15.09 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 15.39 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 14.56 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 16.93 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 16.10 H -ATOM 30 HB2 GLN A 2 4.114 -21.223 11.959 1.00 16.14 H -ATOM 31 HB3 GLN A 2 5.395 -20.012 11.957 1.00 16.63 H -ATOM 32 HG2 GLN A 2 5.100 -21.388 14.113 1.00 15.60 H -ATOM 33 HG3 GLN A 2 5.195 -19.638 14.295 1.00 15.40 H -ATOM 34 HE21 GLN A 2 3.509 -18.689 15.456 1.00 14.40 H -ATOM 35 HE22 GLN A 2 2.009 -19.422 15.761 1.00 14.42 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 15.49 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 15.26 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 14.77 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 14.94 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 15.58 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 15.97 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 16.71 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 16.05 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 15.59 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 15.38 H -ATOM 46 HB2 LEU A 3 2.349 -15.694 13.547 1.00 15.74 H -ATOM 47 HB3 LEU A 3 3.613 -14.867 14.459 1.00 15.55 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 15.84 H -ATOM 49 HD11 LEU A 3 0.848 -14.524 12.192 1.00 16.93 H -ATOM 50 HD12 LEU A 3 1.179 -12.895 11.603 1.00 16.80 H -ATOM 51 HD13 LEU A 3 2.141 -14.256 11.023 1.00 17.03 H -ATOM 52 HD21 LEU A 3 2.535 -12.966 15.061 1.00 16.08 H -ATOM 53 HD22 LEU A 3 1.695 -11.912 13.925 1.00 15.96 H -ATOM 54 HD23 LEU A 3 0.975 -13.452 14.397 1.00 16.30 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 14.32 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 14.03 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 13.34 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 13.29 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 14.31 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 14.30 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 14.29 H -ATOM 62 HB1 ALA A 4 7.976 -14.199 12.734 1.00 14.32 H -ATOM 63 HB2 ALA A 4 8.967 -13.600 14.063 1.00 14.34 H -ATOM 64 HB3 ALA A 4 9.018 -15.307 13.625 1.00 14.64 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 12.98 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 12.48 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 11.62 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 11.76 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 12.81 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 13.36 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 13.57 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 13.93 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 14.23 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 14.47 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 13.15 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 12.71 H -ATOM 77 HB2 HIS A 5 5.398 -10.987 16.023 1.00 13.05 H -ATOM 78 HB3 HIS A 5 5.620 -10.307 17.636 1.00 12.61 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 13.40 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 14.07 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 14.63 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 10.90 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 10.21 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 9.43 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 9.32 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 10.37 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 10.53 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 10.58 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 10.88 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 10.97 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 11.15 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 10.94 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 10.38 H -ATOM 94 HB2 HIS A 6 4.112 -14.086 20.125 1.00 10.69 H -ATOM 95 HB3 HIS A 6 3.498 -13.599 21.705 1.00 10.30 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 10.50 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 11.09 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 11.25 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 9.11 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 8.55 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 7.46 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 7.39 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 8.98 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 9.76 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 10.29 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 10.19 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 11.19 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 11.10 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 11.57 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 9.39 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 8.86 H -ATOM 112 HB2 PHE A 7 6.719 -11.356 23.478 1.00 9.18 H -ATOM 113 HB3 PHE A 7 6.504 -10.028 24.620 1.00 8.77 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 10.16 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 9.98 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 11.72 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 11.57 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 12.35 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 6.86 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 6.01 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 5.07 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 5.28 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 6.54 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 7.08 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 7.15 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 6.02 H -ATOM 127 HB2 SER A 8 5.982 -5.131 23.882 1.00 6.79 H -ATOM 128 HB3 SER A 8 6.431 -6.722 24.489 1.00 6.61 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 7.42 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 4.41 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 3.84 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 2.84 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 3.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 4.55 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 5.41 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 6.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 6.49 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 6.28 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 4.61 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 4.12 H -ATOM 141 HB2 GLU A 9 2.341 -2.961 21.018 1.00 4.86 H -ATOM 142 HB3 GLU A 9 1.671 -3.768 19.600 1.00 4.60 H -ATOM 143 HG2 GLU A 9 1.236 -5.716 21.372 1.00 5.70 H -ATOM 144 HG3 GLU A 9 1.243 -4.358 22.497 1.00 5.72 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 2.18 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 1.51 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 1.23 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 1.13 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 1.87 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 2.49 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 2.65 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 1.77 H -ATOM 153 HB2 PRO A 10 6.953 -4.952 16.355 1.00 2.10 H -ATOM 154 HB3 PRO A 10 8.045 -5.214 17.721 1.00 2.10 H -ATOM 155 HG2 PRO A 10 5.833 -6.875 16.885 1.00 3.08 H -ATOM 156 HG3 PRO A 10 6.947 -7.145 18.231 1.00 2.65 H -ATOM 157 HD2 PRO A 10 4.185 -6.357 18.373 1.00 3.25 H -ATOM 158 HD3 PRO A 10 5.319 -6.583 19.720 1.00 2.87 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 1.29 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 1.13 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 1.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.97 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 1.32 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 1.94 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 2.47 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 2.89 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 3.01 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 1.55 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 1.09 H -ATOM 170 HB2 GLU A 11 6.853 0.714 17.318 1.00 1.69 H -ATOM 171 HB3 GLU A 11 5.609 1.467 16.319 1.00 1.69 H -ATOM 172 HG2 GLU A 11 4.765 2.151 18.324 1.00 2.39 H -ATOM 173 HG3 GLU A 11 4.094 0.521 18.377 1.00 2.45 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 0.99 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 0.91 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 0.80 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 0.74 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 1.03 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 1.05 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 1.28 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 1.48 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 1.08 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 0.89 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 1.22 H -ATOM 185 HG12 ILE A 12 10.822 -2.356 12.586 1.00 1.37 H -ATOM 186 HG13 ILE A 12 9.246 -2.212 11.808 1.00 1.18 H -ATOM 187 HG21 ILE A 12 8.799 -3.329 15.413 1.00 1.67 H -ATOM 188 HG22 ILE A 12 9.003 -3.984 13.789 1.00 1.67 H -ATOM 189 HG23 ILE A 12 10.412 -3.455 14.709 1.00 1.72 H -ATOM 190 HD11 ILE A 12 9.686 0.312 12.896 1.00 1.86 H -ATOM 191 HD12 ILE A 12 11.267 -0.160 12.271 1.00 2.05 H -ATOM 192 HD13 ILE A 12 9.868 -0.129 11.198 1.00 1.87 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 0.81 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 0.76 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 0.68 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 0.62 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 0.86 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 1.35 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 1.19 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 0.89 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 0.74 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 1.13 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 1.84 H -ATOM 204 HG21 THR A 13 7.912 -5.721 14.906 1.00 1.65 H -ATOM 205 HG22 THR A 13 7.125 -7.157 15.562 1.00 1.61 H -ATOM 206 HG23 THR A 13 7.690 -7.146 13.891 1.00 1.72 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 0.72 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 0.69 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 0.58 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 0.50 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 0.82 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 0.88 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 0.87 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 1.02 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 0.80 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 0.67 H -ATOM 217 HB2 LEU A 14 2.089 -3.078 14.913 1.00 1.22 H -ATOM 218 HB3 LEU A 14 2.151 -1.562 14.014 1.00 0.83 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 1.30 H -ATOM 220 HD11 LEU A 14 0.237 -1.411 15.384 1.00 1.27 H -ATOM 221 HD12 LEU A 14 -0.667 -0.852 13.975 1.00 1.28 H -ATOM 222 HD13 LEU A 14 -1.284 -2.190 14.946 1.00 1.34 H -ATOM 223 HD21 LEU A 14 0.664 -1.509 11.922 1.00 1.44 H -ATOM 224 HD22 LEU A 14 0.400 -3.222 11.594 1.00 1.64 H -ATOM 225 HD23 LEU A 14 -0.954 -2.195 12.067 1.00 1.43 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 0.62 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 0.57 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 0.45 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 0.38 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 0.69 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 0.91 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 0.76 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 1.10 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 0.71 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 0.58 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 0.63 H -ATOM 237 HG12 ILE A 15 3.818 2.192 11.913 1.00 0.92 H -ATOM 238 HG13 ILE A 15 4.088 0.846 13.021 1.00 0.98 H -ATOM 239 HG21 ILE A 15 4.408 1.911 9.510 1.00 1.24 H -ATOM 240 HG22 ILE A 15 5.973 2.324 10.211 1.00 1.27 H -ATOM 241 HG23 ILE A 15 5.828 0.933 9.136 1.00 1.35 H -ATOM 242 HD11 ILE A 15 6.365 2.600 12.102 1.00 1.66 H -ATOM 243 HD12 ILE A 15 5.370 3.040 13.490 1.00 1.56 H -ATOM 244 HD13 ILE A 15 6.296 1.540 13.509 1.00 1.37 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 0.44 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 0.36 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 0.28 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 0.25 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 0.39 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 1.21 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 1.18 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 1.58 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 0.50 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 0.38 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 0.83 H -ATOM 256 HG12 ILE A 16 8.516 -2.734 8.425 1.00 1.92 H -ATOM 257 HG13 ILE A 16 7.901 -2.381 10.039 1.00 1.86 H -ATOM 258 HG21 ILE A 16 6.422 -4.757 7.065 1.00 1.76 H -ATOM 259 HG22 ILE A 16 8.112 -4.844 7.561 1.00 1.82 H -ATOM 260 HG23 ILE A 16 6.926 -5.934 8.278 1.00 1.61 H -ATOM 261 HD11 ILE A 16 9.211 -5.008 9.297 1.00 2.05 H -ATOM 262 HD12 ILE A 16 10.086 -3.653 10.011 1.00 2.07 H -ATOM 263 HD13 ILE A 16 8.792 -4.441 10.913 1.00 2.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 0.31 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 0.32 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 0.30 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 0.30 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 0.41 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 0.80 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 1.52 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 1.66 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 1.97 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 2.09 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 1.95 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 0.36 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 0.32 H -ATOM 277 HB2 PHE A 17 1.924 -4.887 10.445 1.00 0.65 H -ATOM 278 HB3 PHE A 17 0.791 -5.706 9.371 1.00 0.64 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 2.18 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 2.34 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 2.73 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 2.89 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 2.41 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 0.31 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 0.32 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 0.26 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 0.26 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 0.34 H -ATOM 289 HA2 GLY A 18 -0.474 -2.475 7.247 1.00 0.36 H -ATOM 290 HA3 GLY A 18 0.438 -1.089 7.852 1.00 0.35 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 0.23 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 0.22 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 0.21 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 0.22 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 0.24 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 0.28 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 0.28 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 0.24 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 0.24 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 0.25 H -ATOM 301 HG11 VAL A 19 4.415 -1.047 2.547 1.00 1.07 H -ATOM 302 HG12 VAL A 19 5.461 0.194 3.239 1.00 1.05 H -ATOM 303 HG13 VAL A 19 5.986 -1.490 3.217 1.00 1.05 H -ATOM 304 HG21 VAL A 19 3.803 0.365 6.153 1.00 1.03 H -ATOM 305 HG22 VAL A 19 5.539 0.058 6.204 1.00 1.10 H -ATOM 306 HG23 VAL A 19 4.857 1.053 4.918 1.00 1.03 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 0.22 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 0.25 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 0.27 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 0.28 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 0.29 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 0.36 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 1.07 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 1.70 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 0.22 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 0.26 H -ATOM 317 HB2 MET A 20 2.699 -6.028 5.370 1.00 0.33 H -ATOM 318 HB3 MET A 20 2.828 -7.082 3.961 1.00 0.34 H -ATOM 319 HG2 MET A 20 5.189 -5.878 3.715 1.00 0.70 H -ATOM 320 HG3 MET A 20 4.982 -5.632 5.449 1.00 0.72 H -ATOM 321 HE1 MET A 20 6.970 -6.893 3.720 1.00 2.15 H -ATOM 322 HE2 MET A 20 7.575 -7.912 5.023 1.00 2.21 H -ATOM 323 HE3 MET A 20 7.014 -8.650 3.525 1.00 2.23 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 0.28 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 0.32 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 0.30 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 0.30 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 0.37 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 0.29 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 0.34 H -ATOM 331 HB1 ALA A 21 -1.239 -4.012 5.520 1.00 1.10 H -ATOM 332 HB2 ALA A 21 -2.636 -3.839 4.453 1.00 1.10 H -ATOM 333 HB3 ALA A 21 -2.282 -5.395 5.202 1.00 1.06 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 0.28 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 0.27 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 0.23 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 0.23 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 0.28 H -ATOM 339 HA2 GLY A 22 -2.114 -1.684 1.151 1.00 0.30 H -ATOM 340 HA3 GLY A 22 -0.545 -0.911 1.393 1.00 0.28 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 0.21 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 0.19 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 0.20 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 0.19 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 0.22 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 0.28 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 0.27 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 0.21 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 0.19 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 0.26 H -ATOM 351 HG11 VAL A 23 2.853 -4.691 -2.941 1.00 1.04 H -ATOM 352 HG12 VAL A 23 4.186 -5.263 -1.938 1.00 1.03 H -ATOM 353 HG13 VAL A 23 2.639 -6.110 -1.917 1.00 1.04 H -ATOM 354 HG21 VAL A 23 3.137 -2.160 -0.938 1.00 1.09 H -ATOM 355 HG22 VAL A 23 3.944 -3.044 0.357 1.00 1.03 H -ATOM 356 HG23 VAL A 23 4.479 -3.241 -1.311 1.00 1.03 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 0.23 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 0.27 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 0.27 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 0.28 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 0.33 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 0.67 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 0.75 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 1.20 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 0.25 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 0.28 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 0.41 H -ATOM 368 HG12 ILE A 24 0.622 -7.270 1.018 1.00 1.29 H -ATOM 369 HG13 ILE A 24 -0.359 -8.393 1.961 1.00 1.22 H -ATOM 370 HG21 ILE A 24 -2.186 -8.949 -1.123 1.00 1.13 H -ATOM 371 HG22 ILE A 24 -2.016 -9.569 0.518 1.00 1.25 H -ATOM 372 HG23 ILE A 24 -3.316 -8.443 0.133 1.00 1.43 H -ATOM 373 HD11 ILE A 24 0.259 -9.084 -0.886 1.00 1.91 H -ATOM 374 HD12 ILE A 24 1.524 -9.294 0.324 1.00 1.60 H -ATOM 375 HD13 ILE A 24 -0.008 -10.152 0.492 1.00 1.67 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 0.29 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 0.33 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 0.30 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 0.33 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 0.30 H -ATOM 381 HA2 GLY A 25 -4.875 -5.493 -1.780 1.00 0.38 H -ATOM 382 HA3 GLY A 25 -4.454 -3.864 -1.246 1.00 0.37 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 0.25 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 0.25 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 0.26 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 0.32 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 0.24 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 0.34 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 0.31 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 0.24 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 0.31 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 0.22 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 0.40 H -ATOM 394 HG21 THR A 26 -1.096 -2.740 -6.946 1.00 1.10 H -ATOM 395 HG22 THR A 26 -1.145 -1.045 -6.461 1.00 0.98 H -ATOM 396 HG23 THR A 26 0.365 -1.948 -6.355 1.00 1.03 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 0.24 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 0.33 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 0.39 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 0.47 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 0.37 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 0.39 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 0.47 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 0.49 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 0.22 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 0.38 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 0.37 H -ATOM 408 HG12 ILE A 27 1.339 -6.927 -5.942 1.00 0.46 H -ATOM 409 HG13 ILE A 27 0.881 -6.243 -4.383 1.00 0.38 H -ATOM 410 HG21 ILE A 27 -0.940 -8.941 -6.843 1.00 1.04 H -ATOM 411 HG22 ILE A 27 0.575 -9.321 -6.021 1.00 1.19 H -ATOM 412 HG23 ILE A 27 -0.964 -9.778 -5.290 1.00 1.15 H -ATOM 413 HD11 ILE A 27 1.140 -8.798 -3.625 1.00 1.14 H -ATOM 414 HD12 ILE A 27 2.251 -8.821 -4.994 1.00 1.07 H -ATOM 415 HD13 ILE A 27 2.516 -7.696 -3.661 1.00 1.21 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 0.39 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 0.49 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 0.53 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 0.62 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 0.53 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 0.59 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 0.68 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 0.65 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 0.34 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 0.55 H -ATOM 426 HB2 LEU A 28 -5.894 -8.926 -3.958 1.00 0.60 H -ATOM 427 HB3 LEU A 28 -5.177 -7.372 -3.555 1.00 0.54 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 0.61 H -ATOM 429 HD11 LEU A 28 -7.500 -8.412 -6.265 1.00 1.18 H -ATOM 430 HD12 LEU A 28 -8.217 -9.045 -4.783 1.00 1.37 H -ATOM 431 HD13 LEU A 28 -8.919 -7.630 -5.568 1.00 1.06 H -ATOM 432 HD21 LEU A 28 -7.123 -7.383 -2.373 1.00 1.31 H -ATOM 433 HD22 LEU A 28 -7.850 -5.908 -3.009 1.00 1.06 H -ATOM 434 HD23 LEU A 28 -8.716 -7.440 -3.126 1.00 1.25 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 0.49 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 0.57 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 0.60 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 0.71 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 0.56 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 1.24 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 1.76 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 1.92 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 0.44 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 0.65 H -ATOM 445 HB2 LEU A 29 -6.215 -3.323 -6.439 1.00 0.97 H -ATOM 446 HB3 LEU A 29 -4.897 -3.312 -7.612 1.00 0.94 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 1.94 H -ATOM 448 HD11 LEU A 29 -8.540 -3.723 -7.684 1.00 2.23 H -ATOM 449 HD12 LEU A 29 -8.337 -2.085 -7.062 1.00 2.17 H -ATOM 450 HD13 LEU A 29 -8.885 -2.338 -8.720 1.00 2.19 H -ATOM 451 HD21 LEU A 29 -5.702 -1.076 -7.551 1.00 2.33 H -ATOM 452 HD22 LEU A 29 -5.634 -1.142 -9.312 1.00 2.54 H -ATOM 453 HD23 LEU A 29 -7.102 -0.590 -8.507 1.00 2.27 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 0.55 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 0.65 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 0.75 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 0.87 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 0.63 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 0.58 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 0.75 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 0.66 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 0.47 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 0.70 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 0.62 H -ATOM 465 HG12 ILE A 30 -1.532 -3.865 -10.561 1.00 0.65 H -ATOM 466 HG13 ILE A 30 -2.187 -4.150 -8.948 1.00 0.53 H -ATOM 467 HG21 ILE A 30 -1.985 -6.973 -12.031 1.00 1.21 H -ATOM 468 HG22 ILE A 30 -1.135 -5.428 -12.049 1.00 1.08 H -ATOM 469 HG23 ILE A 30 -0.418 -6.820 -11.236 1.00 1.31 H -ATOM 470 HD11 ILE A 30 0.153 -5.717 -9.113 1.00 0.98 H -ATOM 471 HD12 ILE A 30 0.572 -4.152 -9.807 1.00 1.16 H -ATOM 472 HD13 ILE A 30 -0.077 -4.245 -8.170 1.00 1.31 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 0.73 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 0.87 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 0.94 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 1.07 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 0.86 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 1.29 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 0.65 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 0.95 H -ATOM 481 HB2 SER A 31 -5.370 -10.056 -8.498 1.00 1.00 H -ATOM 482 HB3 SER A 31 -5.009 -11.426 -9.544 1.00 1.28 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 1.40 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 0.89 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 1.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 1.05 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 1.18 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 0.96 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 1.27 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 1.62 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 2.13 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 1.95 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 2.53 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 2.15 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 2.64 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 0.80 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 1.09 H -ATOM 498 HB2 TYR A 32 -8.430 -7.136 -9.298 1.00 0.96 H -ATOM 499 HB3 TYR A 32 -9.525 -6.790 -10.637 1.00 1.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 2.19 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 2.77 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 2.53 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 3.38 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 2.82 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 0.97 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 1.05 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 1.16 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 1.29 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 0.88 H -ATOM 510 HA2 GLY A 33 -8.117 -5.739 -14.121 1.00 1.11 H -ATOM 511 HA3 GLY A 33 -6.458 -5.315 -13.695 1.00 0.99 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 1.14 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 1.29 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 1.41 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 1.55 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 1.28 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 1.74 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 1.77 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 2.19 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 1.05 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 1.35 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 1.42 H -ATOM 523 HG12 ILE A 34 -1.999 -10.456 -15.325 1.00 2.09 H -ATOM 524 HG13 ILE A 34 -3.181 -10.328 -16.627 1.00 2.18 H -ATOM 525 HG21 ILE A 34 -5.179 -10.909 -13.539 1.00 2.04 H -ATOM 526 HG22 ILE A 34 -4.623 -11.650 -15.037 1.00 2.31 H -ATOM 527 HG23 ILE A 34 -3.521 -11.490 -13.669 1.00 2.25 H -ATOM 528 HD11 ILE A 34 -2.685 -7.706 -15.563 1.00 2.56 H -ATOM 529 HD12 ILE A 34 -1.143 -8.469 -15.951 1.00 2.60 H -ATOM 530 HD13 ILE A 34 -2.383 -8.305 -17.194 1.00 2.54 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 1.37 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 1.51 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 1.58 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 1.73 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 1.46 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 1.73 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 2.03 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 2.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 2.45 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 2.76 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 3.14 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 1.27 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 1.61 H -ATOM 544 HB2 ARG A 35 -9.198 -10.745 -13.492 1.00 1.77 H -ATOM 545 HB3 ARG A 35 -9.683 -12.271 -14.231 1.00 1.58 H -ATOM 546 HG2 ARG A 35 -7.086 -12.805 -13.528 1.00 2.15 H -ATOM 547 HG3 ARG A 35 -7.595 -11.740 -12.217 1.00 2.19 H -ATOM 548 HD2 ARG A 35 -9.040 -14.248 -13.124 1.00 2.45 H -ATOM 549 HD3 ARG A 35 -8.082 -14.083 -11.654 1.00 2.48 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 2.02 H -ATOM 551 HH11 ARG A 35 -9.859 -14.556 -9.703 1.00 2.90 H -ATOM 552 HH12 ARG A 35 -11.448 -15.205 -9.938 1.00 3.21 H -ATOM 553 HH21 ARG A 35 -12.104 -13.285 -12.750 1.00 3.41 H -ATOM 554 HH22 ARG A 35 -12.718 -14.485 -11.664 1.00 3.66 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 1.50 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 1.59 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 1.69 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 1.84 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 1.50 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 1.77 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 2.23 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 2.70 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 3.07 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 3.56 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 3.58 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 1.38 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 1.68 H -ATOM 568 HB2 ARG A 36 -10.779 -7.278 -15.456 1.00 1.51 H -ATOM 569 HB3 ARG A 36 -9.608 -6.688 -16.636 1.00 1.60 H -ATOM 570 HG2 ARG A 36 -12.155 -7.451 -17.863 1.00 2.13 H -ATOM 571 HG3 ARG A 36 -12.332 -6.162 -16.671 1.00 1.96 H -ATOM 572 HD2 ARG A 36 -10.210 -6.099 -18.826 1.00 2.56 H -ATOM 573 HD3 ARG A 36 -11.815 -5.407 -19.056 1.00 2.57 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 3.18 H -ATOM 575 HH11 ARG A 36 -13.078 -4.084 -17.544 1.00 3.68 H -ATOM 576 HH12 ARG A 36 -13.145 -3.509 -15.912 1.00 4.16 H -ATOM 577 HH21 ARG A 36 -9.726 -3.783 -15.397 1.00 3.74 H -ATOM 578 HH22 ARG A 36 -11.245 -3.340 -14.696 1.00 4.16 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 1.64 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 1.75 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 1.91 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 2.05 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 1.69 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 2.11 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 2.66 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 2.38 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 1.52 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 1.80 H -ATOM 589 HB2 LEU A 37 -5.966 -7.837 -18.456 1.00 1.91 H -ATOM 590 HB3 LEU A 37 -5.533 -8.744 -19.906 1.00 1.94 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 2.63 H -ATOM 592 HD11 LEU A 37 -4.064 -6.727 -19.047 1.00 2.82 H -ATOM 593 HD12 LEU A 37 -3.993 -5.574 -20.379 1.00 3.15 H -ATOM 594 HD13 LEU A 37 -4.941 -5.201 -18.939 1.00 3.10 H -ATOM 595 HD21 LEU A 37 -5.208 -7.960 -21.816 1.00 2.77 H -ATOM 596 HD22 LEU A 37 -6.460 -6.812 -22.291 1.00 2.87 H -ATOM 597 HD23 LEU A 37 -4.798 -6.264 -22.075 1.00 2.45 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 1.90 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 2.06 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 2.14 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 2.20 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 2.05 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 1.98 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 2.03 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 2.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 1.79 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 2.15 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 2.14 H -ATOM 609 HG12 ILE A 38 -6.130 -12.131 -17.575 1.00 2.00 H -ATOM 610 HG13 ILE A 38 -7.854 -12.431 -17.787 1.00 2.02 H -ATOM 611 HG21 ILE A 38 -5.064 -12.654 -20.840 1.00 2.39 H -ATOM 612 HG22 ILE A 38 -4.829 -11.923 -19.253 1.00 2.15 H -ATOM 613 HG23 ILE A 38 -4.576 -13.653 -19.472 1.00 2.23 H -ATOM 614 HD11 ILE A 38 -6.918 -14.975 -17.874 1.00 2.36 H -ATOM 615 HD12 ILE A 38 -5.726 -14.244 -16.797 1.00 2.19 H -ATOM 616 HD13 ILE A 38 -7.440 -14.188 -16.384 1.00 2.20 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 2.35 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 2.45 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 2.85 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 3.21 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 2.30 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 2.60 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 2.94 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 3.56 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 3.91 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 2.55 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 2.58 H -ATOM 628 HB2 LYS A 39 -10.925 -12.317 -18.174 1.00 2.10 H -ATOM 629 HB3 LYS A 39 -12.241 -12.564 -19.322 1.00 2.50 H -ATOM 630 HG2 LYS A 39 -13.333 -13.280 -17.434 1.00 2.77 H -ATOM 631 HG3 LYS A 39 -12.536 -14.799 -17.847 1.00 3.02 H -ATOM 632 HD2 LYS A 39 -10.655 -13.253 -16.383 1.00 3.26 H -ATOM 633 HD3 LYS A 39 -12.182 -13.178 -15.502 1.00 3.12 H -ATOM 634 HE2 LYS A 39 -11.451 -15.848 -16.555 1.00 3.96 H -ATOM 635 HE3 LYS A 39 -10.421 -15.233 -15.264 1.00 3.92 H -ATOM 636 HZ1 LYS A 39 -12.927 -14.629 -14.421 1.00 4.13 H -ATOM 637 HZ2 LYS A 39 -13.138 -16.142 -15.155 1.00 4.14 H -ATOM 638 HZ3 LYS A 39 -12.006 -15.958 -13.903 1.00 4.20 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 3.09 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 3.63 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 4.10 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 4.56 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 3.99 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 4.58 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 5.25 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 6.09 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 6.53 N -ATOM 648 OXT LYS A 40 -11.590 -16.543 -22.385 1.00 4.44 O -ATOM 649 H LYS A 40 -13.071 -14.674 -20.158 1.00 3.09 H -ATOM 650 HA LYS A 40 -14.161 -14.866 -22.232 1.00 3.93 H -ATOM 651 HB2 LYS A 40 -12.896 -12.596 -22.527 1.00 4.02 H -ATOM 652 HB3 LYS A 40 -11.810 -13.532 -23.555 1.00 4.35 H -ATOM 653 HG2 LYS A 40 -14.260 -14.362 -24.459 1.00 5.09 H -ATOM 654 HG3 LYS A 40 -14.590 -12.679 -24.047 1.00 4.47 H -ATOM 655 HD2 LYS A 40 -12.982 -11.863 -25.553 1.00 5.25 H -ATOM 656 HD3 LYS A 40 -12.135 -13.407 -25.630 1.00 5.52 H -ATOM 657 HE2 LYS A 40 -13.445 -12.989 -27.691 1.00 6.55 H -ATOM 658 HE3 LYS A 40 -14.035 -14.409 -26.826 1.00 6.28 H -ATOM 659 HZ1 LYS A 40 -15.575 -12.667 -25.695 1.00 6.71 H -ATOM 660 HZ2 LYS A 40 -15.258 -11.752 -27.090 1.00 6.79 H -ATOM 661 HZ3 LYS A 40 -15.972 -13.285 -27.228 1.00 6.75 H -ATOM 662 N VAL A 41 10.922 3.839 1.467 1.00 19.64 N -ATOM 663 CA VAL A 41 10.922 2.946 2.660 1.00 19.45 C -ATOM 664 C VAL A 41 11.924 3.470 3.690 1.00 18.79 C -ATOM 665 O VAL A 41 12.858 2.788 4.065 1.00 19.02 O -ATOM 666 CB VAL A 41 11.319 1.531 2.237 1.00 19.77 C -ATOM 667 CG1 VAL A 41 12.773 1.530 1.761 1.00 20.22 C -ATOM 668 CG2 VAL A 41 11.175 0.584 3.430 1.00 19.99 C -ATOM 669 H1 VAL A 41 11.602 4.612 1.611 1.00 19.83 H -ATOM 670 H2 VAL A 41 11.192 3.290 0.625 1.00 19.55 H -ATOM 671 H3 VAL A 41 9.971 4.237 1.331 1.00 19.78 H -ATOM 672 HA VAL A 41 9.934 2.928 3.095 1.00 19.68 H -ATOM 673 HB VAL A 41 10.677 1.202 1.432 1.00 19.65 H -ATOM 674 HG11 VAL A 41 13.082 2.542 1.546 1.00 20.58 H -ATOM 675 HG12 VAL A 41 13.404 1.118 2.534 1.00 20.10 H -ATOM 676 HG13 VAL A 41 12.859 0.930 0.867 1.00 20.40 H -ATOM 677 HG21 VAL A 41 10.220 0.749 3.907 1.00 20.15 H -ATOM 678 HG22 VAL A 41 11.233 -0.439 3.087 1.00 19.89 H -ATOM 679 HG23 VAL A 41 11.968 0.772 4.137 1.00 20.21 H -ATOM 680 N GLN A 42 11.741 4.678 4.152 1.00 18.10 N -ATOM 681 CA GLN A 42 12.685 5.241 5.159 1.00 17.56 C -ATOM 682 C GLN A 42 12.590 4.431 6.454 1.00 16.86 C -ATOM 683 O GLN A 42 11.536 3.947 6.817 1.00 16.59 O -ATOM 684 CB GLN A 42 12.323 6.702 5.444 1.00 17.30 C -ATOM 685 CG GLN A 42 12.678 7.573 4.235 1.00 17.01 C -ATOM 686 CD GLN A 42 14.098 7.249 3.768 1.00 16.75 C -ATOM 687 OE1 GLN A 42 14.289 6.722 2.689 1.00 17.03 O -ATOM 688 NE2 GLN A 42 15.109 7.543 4.538 1.00 16.36 N -ATOM 689 H GLN A 42 10.982 5.213 3.838 1.00 18.01 H -ATOM 690 HA GLN A 42 13.693 5.187 4.776 1.00 18.00 H -ATOM 691 HB2 GLN A 42 11.263 6.777 5.642 1.00 17.10 H -ATOM 692 HB3 GLN A 42 12.873 7.046 6.307 1.00 17.65 H -ATOM 693 HG2 GLN A 42 11.980 7.380 3.433 1.00 17.14 H -ATOM 694 HG3 GLN A 42 12.623 8.615 4.516 1.00 17.03 H -ATOM 695 HE21 GLN A 42 14.955 7.968 5.408 1.00 16.23 H -ATOM 696 HE22 GLN A 42 16.022 7.339 4.248 1.00 16.27 H -ATOM 697 N LEU A 43 13.683 4.279 7.151 1.00 16.69 N -ATOM 698 CA LEU A 43 13.652 3.498 8.420 1.00 16.15 C -ATOM 699 C LEU A 43 14.482 4.216 9.485 1.00 15.61 C -ATOM 700 O LEU A 43 14.705 3.701 10.563 1.00 15.57 O -ATOM 701 CB LEU A 43 14.237 2.106 8.175 1.00 16.73 C -ATOM 702 CG LEU A 43 13.415 1.065 8.934 1.00 16.88 C -ATOM 703 CD1 LEU A 43 11.964 1.106 8.452 1.00 17.47 C -ATOM 704 CD2 LEU A 43 13.997 -0.328 8.679 1.00 17.27 C -ATOM 705 H LEU A 43 14.523 4.675 6.840 1.00 17.00 H -ATOM 706 HA LEU A 43 12.632 3.404 8.760 1.00 15.90 H -ATOM 707 HB2 LEU A 43 14.211 1.886 7.117 1.00 17.22 H -ATOM 708 HB3 LEU A 43 15.259 2.080 8.523 1.00 16.67 H -ATOM 709 HG LEU A 43 13.449 1.282 9.993 1.00 16.46 H -ATOM 710 HD11 LEU A 43 11.922 1.571 7.477 1.00 17.89 H -ATOM 711 HD12 LEU A 43 11.577 0.100 8.388 1.00 17.56 H -ATOM 712 HD13 LEU A 43 11.369 1.676 9.149 1.00 17.50 H -ATOM 713 HD21 LEU A 43 15.044 -0.240 8.430 1.00 17.31 H -ATOM 714 HD22 LEU A 43 13.887 -0.932 9.567 1.00 17.40 H -ATOM 715 HD23 LEU A 43 13.470 -0.794 7.859 1.00 17.53 H -ATOM 716 N ALA A 44 14.945 5.401 9.196 1.00 15.34 N -ATOM 717 CA ALA A 44 15.760 6.146 10.196 1.00 14.99 C -ATOM 718 C ALA A 44 14.835 6.805 11.222 1.00 14.10 C -ATOM 719 O ALA A 44 15.270 7.261 12.261 1.00 13.96 O -ATOM 720 CB ALA A 44 16.585 7.221 9.486 1.00 15.58 C -ATOM 721 H ALA A 44 14.757 5.802 8.321 1.00 15.48 H -ATOM 722 HA ALA A 44 16.423 5.457 10.700 1.00 15.10 H -ATOM 723 HB1 ALA A 44 16.074 7.530 8.586 1.00 15.78 H -ATOM 724 HB2 ALA A 44 16.707 8.071 10.141 1.00 15.78 H -ATOM 725 HB3 ALA A 44 17.555 6.821 9.231 1.00 15.73 H -ATOM 726 N HIS A 45 13.561 6.858 10.937 1.00 13.65 N -ATOM 727 CA HIS A 45 12.602 7.485 11.894 1.00 12.91 C -ATOM 728 C HIS A 45 12.691 9.009 11.785 1.00 12.30 C -ATOM 729 O HIS A 45 13.696 9.608 12.110 1.00 12.38 O -ATOM 730 CB HIS A 45 12.948 7.057 13.321 1.00 12.96 C -ATOM 731 CG HIS A 45 11.681 6.764 14.080 1.00 13.34 C -ATOM 732 ND1 HIS A 45 11.040 5.538 14.002 1.00 13.54 N -ATOM 733 CD2 HIS A 45 10.926 7.528 14.935 1.00 13.74 C -ATOM 734 CE1 HIS A 45 9.951 5.599 14.791 1.00 14.03 C -ATOM 735 NE2 HIS A 45 9.835 6.791 15.383 1.00 14.18 N -ATOM 736 H HIS A 45 13.233 6.483 10.094 1.00 13.88 H -ATOM 737 HA HIS A 45 11.598 7.166 11.656 1.00 12.98 H -ATOM 738 HB2 HIS A 45 13.562 6.168 13.291 1.00 13.11 H -ATOM 739 HB3 HIS A 45 13.486 7.851 13.815 1.00 12.79 H -ATOM 740 HD1 HIS A 45 11.326 4.766 13.471 1.00 13.46 H -ATOM 741 HD2 HIS A 45 11.148 8.546 15.218 1.00 13.85 H -ATOM 742 HE1 HIS A 45 9.257 4.783 14.931 1.00 14.39 H -ATOM 743 N HIS A 46 11.642 9.641 11.330 1.00 11.87 N -ATOM 744 CA HIS A 46 11.663 11.126 11.202 1.00 11.46 C -ATOM 745 C HIS A 46 10.453 11.584 10.386 1.00 10.55 C -ATOM 746 O HIS A 46 10.539 12.499 9.591 1.00 10.53 O -ATOM 747 CB HIS A 46 12.947 11.562 10.496 1.00 11.84 C -ATOM 748 CG HIS A 46 13.878 12.195 11.493 1.00 12.35 C -ATOM 749 ND1 HIS A 46 15.168 11.734 11.697 1.00 12.68 N -ATOM 750 CD2 HIS A 46 13.718 13.256 12.350 1.00 12.80 C -ATOM 751 CE1 HIS A 46 15.731 12.506 12.643 1.00 13.29 C -ATOM 752 NE2 HIS A 46 14.890 13.450 13.076 1.00 13.39 N -ATOM 753 H HIS A 46 10.841 9.139 11.075 1.00 11.95 H -ATOM 754 HA HIS A 46 11.623 11.573 12.185 1.00 11.76 H -ATOM 755 HB2 HIS A 46 13.425 10.700 10.053 1.00 11.94 H -ATOM 756 HB3 HIS A 46 12.708 12.277 9.722 1.00 11.86 H -ATOM 757 HD1 HIS A 46 15.594 10.982 11.234 1.00 12.63 H -ATOM 758 HD2 HIS A 46 12.821 13.848 12.447 1.00 12.83 H -ATOM 759 HE1 HIS A 46 16.739 12.379 13.009 1.00 13.77 H -ATOM 760 N PHE A 47 9.325 10.955 10.575 1.00 10.00 N -ATOM 761 CA PHE A 47 8.112 11.355 9.808 1.00 9.29 C -ATOM 762 C PHE A 47 6.882 11.261 10.712 1.00 8.27 C -ATOM 763 O PHE A 47 6.497 12.218 11.354 1.00 8.29 O -ATOM 764 CB PHE A 47 7.938 10.421 8.609 1.00 9.52 C -ATOM 765 CG PHE A 47 8.436 11.107 7.359 1.00 10.43 C -ATOM 766 CD1 PHE A 47 9.807 11.315 7.173 1.00 10.86 C -ATOM 767 CD2 PHE A 47 7.524 11.534 6.387 1.00 11.07 C -ATOM 768 CE1 PHE A 47 10.268 11.950 6.014 1.00 11.86 C -ATOM 769 CE2 PHE A 47 7.985 12.169 5.227 1.00 12.06 C -ATOM 770 CZ PHE A 47 9.357 12.377 5.040 1.00 12.43 C -ATOM 771 H PHE A 47 9.277 10.218 11.220 1.00 10.20 H -ATOM 772 HA PHE A 47 8.226 12.371 9.459 1.00 9.58 H -ATOM 773 HB2 PHE A 47 8.505 9.516 8.773 1.00 9.36 H -ATOM 774 HB3 PHE A 47 6.893 10.175 8.492 1.00 9.45 H -ATOM 775 HD1 PHE A 47 10.510 10.985 7.923 1.00 10.55 H -ATOM 776 HD2 PHE A 47 6.466 11.374 6.530 1.00 10.94 H -ATOM 777 HE1 PHE A 47 11.326 12.110 5.870 1.00 12.32 H -ATOM 778 HE2 PHE A 47 7.282 12.498 4.476 1.00 12.65 H -ATOM 779 HZ PHE A 47 9.712 12.867 4.145 1.00 13.28 H -ATOM 780 N SER A 48 6.261 10.114 10.769 1.00 7.61 N -ATOM 781 CA SER A 48 5.057 9.961 11.633 1.00 6.80 C -ATOM 782 C SER A 48 5.489 9.555 13.043 1.00 5.60 C -ATOM 783 O SER A 48 5.878 8.430 13.285 1.00 5.39 O -ATOM 784 CB SER A 48 4.145 8.883 11.047 1.00 7.36 C -ATOM 785 OG SER A 48 3.607 9.343 9.814 1.00 8.12 O -ATOM 786 H SER A 48 6.587 9.354 10.243 1.00 7.83 H -ATOM 787 HA SER A 48 4.523 10.899 11.676 1.00 6.96 H -ATOM 788 HB2 SER A 48 4.713 7.985 10.873 1.00 7.45 H -ATOM 789 HB3 SER A 48 3.345 8.672 11.745 1.00 7.39 H -ATOM 790 HG SER A 48 3.215 10.207 9.965 1.00 8.23 H -ATOM 791 N GLU A 49 5.424 10.465 13.977 1.00 5.12 N -ATOM 792 CA GLU A 49 5.831 10.134 15.371 1.00 4.22 C -ATOM 793 C GLU A 49 4.836 9.143 15.986 1.00 3.04 C -ATOM 794 O GLU A 49 5.227 8.092 16.453 1.00 3.18 O -ATOM 795 CB GLU A 49 5.867 11.414 16.210 1.00 4.88 C -ATOM 796 CG GLU A 49 7.321 11.828 16.447 1.00 5.77 C -ATOM 797 CD GLU A 49 7.751 12.827 15.371 1.00 6.71 C -ATOM 798 OE1 GLU A 49 7.075 13.831 15.219 1.00 7.29 O -ATOM 799 OE2 GLU A 49 8.748 12.570 14.716 1.00 7.09 O -ATOM 800 H GLU A 49 5.108 11.367 13.760 1.00 5.60 H -ATOM 801 HA GLU A 49 6.815 9.689 15.358 1.00 4.31 H -ATOM 802 HB2 GLU A 49 5.348 12.202 15.685 1.00 5.35 H -ATOM 803 HB3 GLU A 49 5.386 11.235 17.159 1.00 4.66 H -ATOM 804 HG2 GLU A 49 7.411 12.287 17.421 1.00 5.92 H -ATOM 805 HG3 GLU A 49 7.957 10.956 16.400 1.00 5.90 H -ATOM 806 N PRO A 50 3.576 9.506 15.974 1.00 2.28 N -ATOM 807 CA PRO A 50 2.512 8.653 16.536 1.00 1.48 C -ATOM 808 C PRO A 50 2.466 7.303 15.812 1.00 1.33 C -ATOM 809 O PRO A 50 2.901 7.176 14.683 1.00 1.29 O -ATOM 810 CB PRO A 50 1.213 9.437 16.302 1.00 2.00 C -ATOM 811 CG PRO A 50 1.588 10.778 15.622 1.00 2.71 C -ATOM 812 CD PRO A 50 3.110 10.785 15.405 1.00 2.87 C -ATOM 813 HA PRO A 50 2.666 8.508 17.594 1.00 1.64 H -ATOM 814 HB2 PRO A 50 0.555 8.868 15.659 1.00 2.42 H -ATOM 815 HB3 PRO A 50 0.728 9.633 17.245 1.00 2.16 H -ATOM 816 HG2 PRO A 50 1.081 10.861 14.671 1.00 3.49 H -ATOM 817 HG3 PRO A 50 1.310 11.603 16.260 1.00 2.78 H -ATOM 818 HD2 PRO A 50 3.333 10.836 14.349 1.00 3.66 H -ATOM 819 HD3 PRO A 50 3.561 11.612 15.930 1.00 3.03 H -ATOM 820 N GLU A 51 1.940 6.296 16.454 1.00 1.30 N -ATOM 821 CA GLU A 51 1.864 4.955 15.808 1.00 1.19 C -ATOM 822 C GLU A 51 0.907 5.007 14.616 1.00 1.06 C -ATOM 823 O GLU A 51 1.324 4.983 13.476 1.00 1.01 O -ATOM 824 CB GLU A 51 1.354 3.929 16.821 1.00 1.29 C -ATOM 825 CG GLU A 51 2.332 3.834 17.993 1.00 1.90 C -ATOM 826 CD GLU A 51 1.565 3.975 19.308 1.00 2.25 C -ATOM 827 OE1 GLU A 51 0.939 5.004 19.498 1.00 2.89 O -ATOM 828 OE2 GLU A 51 1.616 3.051 20.103 1.00 2.52 O -ATOM 829 H GLU A 51 1.595 6.422 17.362 1.00 1.39 H -ATOM 830 HA GLU A 51 2.847 4.664 15.467 1.00 1.17 H -ATOM 831 HB2 GLU A 51 0.383 4.236 17.185 1.00 1.78 H -ATOM 832 HB3 GLU A 51 1.270 2.963 16.345 1.00 1.39 H -ATOM 833 HG2 GLU A 51 2.831 2.876 17.966 1.00 2.21 H -ATOM 834 HG3 GLU A 51 3.063 4.624 17.917 1.00 2.64 H -ATOM 835 N ILE A 52 -0.374 5.068 14.874 1.00 1.07 N -ATOM 836 CA ILE A 52 -1.367 5.112 13.766 1.00 0.98 C -ATOM 837 C ILE A 52 -0.853 6.001 12.631 1.00 0.89 C -ATOM 838 O ILE A 52 -0.984 5.675 11.467 1.00 0.82 O -ATOM 839 CB ILE A 52 -2.692 5.662 14.302 1.00 1.09 C -ATOM 840 CG1 ILE A 52 -3.814 5.264 13.351 1.00 1.29 C -ATOM 841 CG2 ILE A 52 -2.627 7.189 14.409 1.00 1.27 C -ATOM 842 CD1 ILE A 52 -4.804 4.363 14.087 1.00 2.11 C -ATOM 843 H ILE A 52 -0.685 5.079 15.801 1.00 1.17 H -ATOM 844 HA ILE A 52 -1.525 4.111 13.392 1.00 0.94 H -ATOM 845 HB ILE A 52 -2.887 5.244 15.279 1.00 1.22 H -ATOM 846 HG12 ILE A 52 -4.320 6.151 13.000 1.00 1.49 H -ATOM 847 HG13 ILE A 52 -3.396 4.729 12.512 1.00 1.36 H -ATOM 848 HG21 ILE A 52 -1.726 7.475 14.929 1.00 1.79 H -ATOM 849 HG22 ILE A 52 -2.623 7.619 13.418 1.00 1.73 H -ATOM 850 HG23 ILE A 52 -3.487 7.549 14.953 1.00 1.50 H -ATOM 851 HD11 ILE A 52 -4.282 3.807 14.852 1.00 2.58 H -ATOM 852 HD12 ILE A 52 -5.573 4.969 14.544 1.00 2.56 H -ATOM 853 HD13 ILE A 52 -5.256 3.675 13.387 1.00 2.50 H -ATOM 854 N THR A 53 -0.268 7.118 12.958 1.00 0.92 N -ATOM 855 CA THR A 53 0.256 8.023 11.896 1.00 0.87 C -ATOM 856 C THR A 53 1.333 7.292 11.090 1.00 0.77 C -ATOM 857 O THR A 53 1.343 7.327 9.874 1.00 0.69 O -ATOM 858 CB THR A 53 0.847 9.286 12.533 1.00 0.99 C -ATOM 859 OG1 THR A 53 1.523 8.946 13.737 1.00 1.57 O -ATOM 860 CG2 THR A 53 -0.276 10.276 12.839 1.00 1.43 C -ATOM 861 H THR A 53 -0.170 7.363 13.901 1.00 1.01 H -ATOM 862 HA THR A 53 -0.554 8.302 11.237 1.00 0.85 H -ATOM 863 HB THR A 53 1.544 9.741 11.847 1.00 1.38 H -ATOM 864 HG1 THR A 53 1.591 7.992 13.783 1.00 1.99 H -ATOM 865 HG21 THR A 53 -1.138 10.041 12.234 1.00 1.95 H -ATOM 866 HG22 THR A 53 -0.541 10.209 13.884 1.00 1.96 H -ATOM 867 HG23 THR A 53 0.057 11.279 12.617 1.00 1.85 H -ATOM 868 N LEU A 54 2.250 6.639 11.749 1.00 0.81 N -ATOM 869 CA LEU A 54 3.319 5.923 10.997 1.00 0.74 C -ATOM 870 C LEU A 54 2.749 4.655 10.362 1.00 0.62 C -ATOM 871 O LEU A 54 2.981 4.385 9.202 1.00 0.52 O -ATOM 872 CB LEU A 54 4.460 5.541 11.947 1.00 0.87 C -ATOM 873 CG LEU A 54 5.801 5.645 11.214 1.00 1.11 C -ATOM 874 CD1 LEU A 54 6.877 4.911 12.016 1.00 1.02 C -ATOM 875 CD2 LEU A 54 5.685 5.009 9.825 1.00 1.63 C -ATOM 876 H LEU A 54 2.238 6.624 12.730 1.00 0.89 H -ATOM 877 HA LEU A 54 3.702 6.566 10.218 1.00 0.73 H -ATOM 878 HB2 LEU A 54 4.463 6.210 12.795 1.00 1.12 H -ATOM 879 HB3 LEU A 54 4.318 4.527 12.290 1.00 1.06 H -ATOM 880 HG LEU A 54 6.075 6.685 11.114 1.00 1.49 H -ATOM 881 HD11 LEU A 54 6.444 4.521 12.925 1.00 1.17 H -ATOM 882 HD12 LEU A 54 7.271 4.095 11.428 1.00 1.50 H -ATOM 883 HD13 LEU A 54 7.674 5.596 12.261 1.00 1.52 H -ATOM 884 HD21 LEU A 54 5.233 4.032 9.913 1.00 2.19 H -ATOM 885 HD22 LEU A 54 5.072 5.635 9.194 1.00 1.88 H -ATOM 886 HD23 LEU A 54 6.669 4.913 9.391 1.00 2.07 H -ATOM 887 N ILE A 55 2.014 3.863 11.097 1.00 0.66 N -ATOM 888 CA ILE A 55 1.463 2.621 10.485 1.00 0.59 C -ATOM 889 C ILE A 55 0.616 2.986 9.264 1.00 0.48 C -ATOM 890 O ILE A 55 0.783 2.429 8.196 1.00 0.39 O -ATOM 891 CB ILE A 55 0.593 1.885 11.506 1.00 0.70 C -ATOM 892 CG1 ILE A 55 1.424 1.569 12.752 1.00 0.89 C -ATOM 893 CG2 ILE A 55 0.078 0.582 10.891 1.00 0.73 C -ATOM 894 CD1 ILE A 55 0.493 1.180 13.901 1.00 1.02 C -ATOM 895 H ILE A 55 1.832 4.078 12.036 1.00 0.76 H -ATOM 896 HA ILE A 55 2.277 1.981 10.179 1.00 0.57 H -ATOM 897 HB ILE A 55 -0.246 2.508 11.781 1.00 0.70 H -ATOM 898 HG12 ILE A 55 2.095 0.750 12.537 1.00 0.95 H -ATOM 899 HG13 ILE A 55 1.996 2.440 13.033 1.00 0.95 H -ATOM 900 HG21 ILE A 55 -0.424 0.799 9.960 1.00 1.16 H -ATOM 901 HG22 ILE A 55 0.910 -0.081 10.706 1.00 1.26 H -ATOM 902 HG23 ILE A 55 -0.614 0.112 11.573 1.00 1.34 H -ATOM 903 HD11 ILE A 55 -0.496 0.980 13.512 1.00 1.45 H -ATOM 904 HD12 ILE A 55 0.873 0.294 14.389 1.00 1.40 H -ATOM 905 HD13 ILE A 55 0.441 1.990 14.614 1.00 1.51 H -ATOM 906 N ILE A 56 -0.272 3.938 9.397 1.00 0.51 N -ATOM 907 CA ILE A 56 -1.092 4.344 8.222 1.00 0.45 C -ATOM 908 C ILE A 56 -0.154 4.797 7.104 1.00 0.35 C -ATOM 909 O ILE A 56 -0.285 4.401 5.961 1.00 0.30 O -ATOM 910 CB ILE A 56 -2.051 5.475 8.611 1.00 0.52 C -ATOM 911 CG1 ILE A 56 -3.076 5.680 7.493 1.00 1.19 C -ATOM 912 CG2 ILE A 56 -1.276 6.773 8.831 1.00 1.41 C -ATOM 913 CD1 ILE A 56 -4.484 5.462 8.048 1.00 1.86 C -ATOM 914 H ILE A 56 -0.382 4.394 10.258 1.00 0.59 H -ATOM 915 HA ILE A 56 -1.664 3.493 7.879 1.00 0.46 H -ATOM 916 HB ILE A 56 -2.563 5.209 9.522 1.00 1.05 H -ATOM 917 HG12 ILE A 56 -2.991 6.685 7.106 1.00 1.77 H -ATOM 918 HG13 ILE A 56 -2.890 4.970 6.700 1.00 1.90 H -ATOM 919 HG21 ILE A 56 -0.760 7.045 7.924 1.00 1.89 H -ATOM 920 HG22 ILE A 56 -1.964 7.560 9.103 1.00 1.87 H -ATOM 921 HG23 ILE A 56 -0.563 6.630 9.626 1.00 2.07 H -ATOM 922 HD11 ILE A 56 -4.422 4.972 9.008 1.00 2.48 H -ATOM 923 HD12 ILE A 56 -4.978 6.416 8.162 1.00 2.31 H -ATOM 924 HD13 ILE A 56 -5.049 4.845 7.365 1.00 2.21 H -ATOM 925 N PHE A 57 0.802 5.624 7.438 1.00 0.37 N -ATOM 926 CA PHE A 57 1.770 6.113 6.413 1.00 0.34 C -ATOM 927 C PHE A 57 2.465 4.923 5.758 1.00 0.29 C -ATOM 928 O PHE A 57 2.591 4.852 4.552 1.00 0.27 O -ATOM 929 CB PHE A 57 2.821 7.018 7.066 1.00 0.44 C -ATOM 930 CG PHE A 57 2.475 8.464 6.792 1.00 1.05 C -ATOM 931 CD1 PHE A 57 1.389 9.059 7.443 1.00 1.80 C -ATOM 932 CD2 PHE A 57 3.242 9.206 5.885 1.00 1.97 C -ATOM 933 CE1 PHE A 57 1.068 10.398 7.188 1.00 2.57 C -ATOM 934 CE2 PHE A 57 2.920 10.546 5.631 1.00 2.71 C -ATOM 935 CZ PHE A 57 1.834 11.141 6.282 1.00 2.81 C -ATOM 936 H PHE A 57 0.880 5.921 8.370 1.00 0.43 H -ATOM 937 HA PHE A 57 1.235 6.674 5.659 1.00 0.34 H -ATOM 938 HB2 PHE A 57 2.840 6.848 8.133 1.00 0.94 H -ATOM 939 HB3 PHE A 57 3.792 6.799 6.650 1.00 0.81 H -ATOM 940 HD1 PHE A 57 0.797 8.485 8.142 1.00 2.26 H -ATOM 941 HD2 PHE A 57 4.080 8.747 5.384 1.00 2.49 H -ATOM 942 HE1 PHE A 57 0.229 10.857 7.691 1.00 3.32 H -ATOM 943 HE2 PHE A 57 3.512 11.118 4.931 1.00 3.52 H -ATOM 944 HZ PHE A 57 1.586 12.173 6.085 1.00 3.51 H -ATOM 945 N GLY A 58 2.926 3.987 6.541 1.00 0.30 N -ATOM 946 CA GLY A 58 3.621 2.807 5.957 1.00 0.28 C -ATOM 947 C GLY A 58 2.695 2.119 4.956 1.00 0.22 C -ATOM 948 O GLY A 58 3.091 1.801 3.854 1.00 0.23 O -ATOM 949 H GLY A 58 2.823 4.065 7.514 1.00 0.34 H -ATOM 950 HA2 GLY A 58 4.522 3.132 5.453 1.00 0.31 H -ATOM 951 HA3 GLY A 58 3.879 2.113 6.743 1.00 0.31 H -ATOM 952 N VAL A 59 1.460 1.893 5.318 1.00 0.22 N -ATOM 953 CA VAL A 59 0.530 1.234 4.359 1.00 0.23 C -ATOM 954 C VAL A 59 0.476 2.069 3.078 1.00 0.22 C -ATOM 955 O VAL A 59 0.616 1.557 1.982 1.00 0.23 O -ATOM 956 CB VAL A 59 -0.861 1.146 4.986 1.00 0.27 C -ATOM 957 CG1 VAL A 59 -1.835 0.522 3.985 1.00 0.33 C -ATOM 958 CG2 VAL A 59 -0.791 0.275 6.244 1.00 0.30 C -ATOM 959 H VAL A 59 1.148 2.159 6.208 1.00 0.24 H -ATOM 960 HA VAL A 59 0.885 0.243 4.129 1.00 0.25 H -ATOM 961 HB VAL A 59 -1.201 2.138 5.249 1.00 0.30 H -ATOM 962 HG11 VAL A 59 -1.462 0.668 2.982 1.00 0.98 H -ATOM 963 HG12 VAL A 59 -1.927 -0.536 4.185 1.00 1.10 H -ATOM 964 HG13 VAL A 59 -2.802 0.994 4.083 1.00 1.05 H -ATOM 965 HG21 VAL A 59 0.219 0.277 6.628 1.00 0.93 H -ATOM 966 HG22 VAL A 59 -1.462 0.669 6.993 1.00 1.14 H -ATOM 967 HG23 VAL A 59 -1.080 -0.737 5.998 1.00 1.08 H -ATOM 968 N MET A 60 0.305 3.357 3.208 1.00 0.22 N -ATOM 969 CA MET A 60 0.280 4.228 2.000 1.00 0.23 C -ATOM 970 C MET A 60 1.593 4.045 1.238 1.00 0.24 C -ATOM 971 O MET A 60 1.615 3.860 0.036 1.00 0.25 O -ATOM 972 CB MET A 60 0.132 5.690 2.428 1.00 0.26 C -ATOM 973 CG MET A 60 -1.175 5.866 3.203 1.00 0.32 C -ATOM 974 SD MET A 60 -1.605 7.623 3.273 1.00 1.15 S -ATOM 975 CE MET A 60 -0.141 8.182 4.180 1.00 1.83 C -ATOM 976 H MET A 60 0.218 3.753 4.101 1.00 0.22 H -ATOM 977 HA MET A 60 -0.550 3.948 1.367 1.00 0.25 H -ATOM 978 HB2 MET A 60 0.966 5.966 3.057 1.00 0.29 H -ATOM 979 HB3 MET A 60 0.117 6.322 1.552 1.00 0.30 H -ATOM 980 HG2 MET A 60 -1.965 5.323 2.705 1.00 0.69 H -ATOM 981 HG3 MET A 60 -1.053 5.485 4.205 1.00 0.71 H -ATOM 982 HE1 MET A 60 0.745 7.763 3.725 1.00 2.42 H -ATOM 983 HE2 MET A 60 -0.085 9.257 4.147 1.00 2.17 H -ATOM 984 HE3 MET A 60 -0.211 7.857 5.210 1.00 2.39 H -ATOM 985 N ALA A 61 2.689 4.093 1.946 1.00 0.25 N -ATOM 986 CA ALA A 61 4.020 3.922 1.300 1.00 0.27 C -ATOM 987 C ALA A 61 4.071 2.579 0.564 1.00 0.26 C -ATOM 988 O ALA A 61 4.520 2.504 -0.563 1.00 0.27 O -ATOM 989 CB ALA A 61 5.132 3.997 2.357 1.00 0.31 C -ATOM 990 H ALA A 61 2.636 4.239 2.912 1.00 0.25 H -ATOM 991 HA ALA A 61 4.164 4.718 0.583 1.00 0.29 H -ATOM 992 HB1 ALA A 61 4.700 3.938 3.346 1.00 1.02 H -ATOM 993 HB2 ALA A 61 5.827 3.183 2.216 1.00 1.10 H -ATOM 994 HB3 ALA A 61 5.657 4.936 2.255 1.00 1.06 H -ATOM 995 N GLY A 62 3.630 1.511 1.183 1.00 0.25 N -ATOM 996 CA GLY A 62 3.682 0.194 0.492 1.00 0.26 C -ATOM 997 C GLY A 62 2.921 0.286 -0.828 1.00 0.24 C -ATOM 998 O GLY A 62 3.406 -0.133 -1.860 1.00 0.24 O -ATOM 999 H GLY A 62 3.271 1.573 2.091 1.00 0.25 H -ATOM 1000 HA2 GLY A 62 4.713 -0.072 0.300 1.00 0.29 H -ATOM 1001 HA3 GLY A 62 3.225 -0.559 1.116 1.00 0.27 H -ATOM 1002 N VAL A 63 1.738 0.838 -0.817 1.00 0.22 N -ATOM 1003 CA VAL A 63 0.980 0.953 -2.095 1.00 0.21 C -ATOM 1004 C VAL A 63 1.825 1.734 -3.108 1.00 0.21 C -ATOM 1005 O VAL A 63 1.984 1.329 -4.243 1.00 0.21 O -ATOM 1006 CB VAL A 63 -0.337 1.692 -1.851 1.00 0.23 C -ATOM 1007 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 0.28 C -ATOM 1008 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 0.31 C -ATOM 1009 H VAL A 63 1.355 1.179 0.022 1.00 0.22 H -ATOM 1010 HA VAL A 63 0.774 -0.035 -2.481 1.00 0.22 H -ATOM 1011 HB VAL A 63 -0.128 2.685 -1.480 1.00 0.28 H -ATOM 1012 HG11 VAL A 63 -0.468 2.167 -3.940 1.00 0.98 H -ATOM 1013 HG12 VAL A 63 -1.483 0.814 -3.439 1.00 1.07 H -ATOM 1014 HG13 VAL A 63 -1.952 2.465 -3.034 1.00 1.13 H -ATOM 1015 HG21 VAL A 63 -1.152 -0.129 -1.058 1.00 0.96 H -ATOM 1016 HG22 VAL A 63 -0.755 1.080 0.164 1.00 1.07 H -ATOM 1017 HG23 VAL A 63 -2.188 1.281 -0.844 1.00 1.14 H -ATOM 1018 N ILE A 64 2.377 2.848 -2.700 1.00 0.23 N -ATOM 1019 CA ILE A 64 3.220 3.652 -3.630 1.00 0.25 C -ATOM 1020 C ILE A 64 4.373 2.794 -4.161 1.00 0.26 C -ATOM 1021 O ILE A 64 4.652 2.776 -5.343 1.00 0.26 O -ATOM 1022 CB ILE A 64 3.785 4.863 -2.886 1.00 0.30 C -ATOM 1023 CG1 ILE A 64 2.645 5.822 -2.537 1.00 0.32 C -ATOM 1024 CG2 ILE A 64 4.800 5.581 -3.777 1.00 0.40 C -ATOM 1025 CD1 ILE A 64 3.053 6.690 -1.345 1.00 1.06 C -ATOM 1026 H ILE A 64 2.238 3.156 -1.779 1.00 0.24 H -ATOM 1027 HA ILE A 64 2.615 3.992 -4.458 1.00 0.26 H -ATOM 1028 HB ILE A 64 4.272 4.533 -1.979 1.00 0.33 H -ATOM 1029 HG12 ILE A 64 2.434 6.454 -3.388 1.00 0.77 H -ATOM 1030 HG13 ILE A 64 1.763 5.255 -2.281 1.00 0.79 H -ATOM 1031 HG21 ILE A 64 4.393 5.692 -4.771 1.00 1.11 H -ATOM 1032 HG22 ILE A 64 5.014 6.556 -3.366 1.00 1.08 H -ATOM 1033 HG23 ILE A 64 5.712 5.003 -3.824 1.00 1.05 H -ATOM 1034 HD11 ILE A 64 3.602 6.090 -0.634 1.00 1.59 H -ATOM 1035 HD12 ILE A 64 3.677 7.503 -1.688 1.00 1.60 H -ATOM 1036 HD13 ILE A 64 2.169 7.090 -0.873 1.00 1.66 H -ATOM 1037 N GLY A 65 5.053 2.091 -3.294 1.00 0.27 N -ATOM 1038 CA GLY A 65 6.193 1.245 -3.750 1.00 0.30 C -ATOM 1039 C GLY A 65 5.711 0.257 -4.810 1.00 0.27 C -ATOM 1040 O GLY A 65 6.327 0.097 -5.845 1.00 0.29 O -ATOM 1041 H GLY A 65 4.820 2.123 -2.344 1.00 0.28 H -ATOM 1042 HA2 GLY A 65 6.963 1.877 -4.168 1.00 0.33 H -ATOM 1043 HA3 GLY A 65 6.593 0.699 -2.909 1.00 0.33 H -ATOM 1044 N THR A 66 4.615 -0.409 -4.567 1.00 0.24 N -ATOM 1045 CA THR A 66 4.107 -1.382 -5.573 1.00 0.24 C -ATOM 1046 C THR A 66 3.892 -0.660 -6.903 1.00 0.24 C -ATOM 1047 O THR A 66 4.305 -1.126 -7.947 1.00 0.28 O -ATOM 1048 CB THR A 66 2.780 -1.974 -5.091 1.00 0.25 C -ATOM 1049 OG1 THR A 66 2.935 -2.460 -3.763 1.00 0.32 O -ATOM 1050 CG2 THR A 66 2.371 -3.123 -6.014 1.00 0.28 C -ATOM 1051 H THR A 66 4.129 -0.268 -3.727 1.00 0.24 H -ATOM 1052 HA THR A 66 4.829 -2.174 -5.705 1.00 0.28 H -ATOM 1053 HB THR A 66 2.017 -1.213 -5.109 1.00 0.25 H -ATOM 1054 HG1 THR A 66 3.028 -1.704 -3.179 1.00 0.39 H -ATOM 1055 HG21 THR A 66 2.425 -2.795 -7.042 1.00 1.00 H -ATOM 1056 HG22 THR A 66 3.041 -3.958 -5.868 1.00 1.09 H -ATOM 1057 HG23 THR A 66 1.361 -3.428 -5.786 1.00 0.99 H -ATOM 1058 N ILE A 67 3.256 0.481 -6.875 1.00 0.23 N -ATOM 1059 CA ILE A 67 3.029 1.232 -8.141 1.00 0.29 C -ATOM 1060 C ILE A 67 4.377 1.506 -8.812 1.00 0.33 C -ATOM 1061 O ILE A 67 4.550 1.292 -9.996 1.00 0.40 O -ATOM 1062 CB ILE A 67 2.331 2.558 -7.830 1.00 0.33 C -ATOM 1063 CG1 ILE A 67 0.878 2.287 -7.431 1.00 0.34 C -ATOM 1064 CG2 ILE A 67 2.359 3.454 -9.069 1.00 0.40 C -ATOM 1065 CD1 ILE A 67 0.281 3.542 -6.791 1.00 0.41 C -ATOM 1066 H ILE A 67 2.936 0.844 -6.022 1.00 0.21 H -ATOM 1067 HA ILE A 67 2.409 0.645 -8.802 1.00 0.32 H -ATOM 1068 HB ILE A 67 2.843 3.053 -7.017 1.00 0.34 H -ATOM 1069 HG12 ILE A 67 0.308 2.024 -8.309 1.00 0.40 H -ATOM 1070 HG13 ILE A 67 0.845 1.473 -6.723 1.00 0.34 H -ATOM 1071 HG21 ILE A 67 2.751 2.897 -9.907 1.00 1.10 H -ATOM 1072 HG22 ILE A 67 1.356 3.785 -9.296 1.00 0.98 H -ATOM 1073 HG23 ILE A 67 2.987 4.311 -8.880 1.00 1.06 H -ATOM 1074 HD11 ILE A 67 0.898 3.850 -5.960 1.00 1.07 H -ATOM 1075 HD12 ILE A 67 0.239 4.334 -7.522 1.00 1.11 H -ATOM 1076 HD13 ILE A 67 -0.716 3.324 -6.437 1.00 1.14 H -ATOM 1077 N LEU A 68 5.335 1.973 -8.058 1.00 0.33 N -ATOM 1078 CA LEU A 68 6.676 2.257 -8.638 1.00 0.41 C -ATOM 1079 C LEU A 68 7.222 0.975 -9.283 1.00 0.44 C -ATOM 1080 O LEU A 68 7.717 0.988 -10.392 1.00 0.51 O -ATOM 1081 CB LEU A 68 7.606 2.778 -7.519 1.00 0.44 C -ATOM 1082 CG LEU A 68 8.904 1.964 -7.431 1.00 0.76 C -ATOM 1083 CD1 LEU A 68 9.801 2.296 -8.625 1.00 1.14 C -ATOM 1084 CD2 LEU A 68 9.635 2.314 -6.133 1.00 1.06 C -ATOM 1085 H LEU A 68 5.175 2.132 -7.105 1.00 0.30 H -ATOM 1086 HA LEU A 68 6.576 3.017 -9.400 1.00 0.46 H -ATOM 1087 HB2 LEU A 68 7.854 3.810 -7.718 1.00 0.70 H -ATOM 1088 HB3 LEU A 68 7.087 2.718 -6.572 1.00 0.61 H -ATOM 1089 HG LEU A 68 8.667 0.911 -7.439 1.00 0.84 H -ATOM 1090 HD11 LEU A 68 9.770 3.358 -8.814 1.00 1.55 H -ATOM 1091 HD12 LEU A 68 10.816 2.000 -8.406 1.00 1.54 H -ATOM 1092 HD13 LEU A 68 9.451 1.764 -9.497 1.00 1.72 H -ATOM 1093 HD21 LEU A 68 9.102 3.101 -5.619 1.00 1.51 H -ATOM 1094 HD22 LEU A 68 9.685 1.440 -5.500 1.00 1.52 H -ATOM 1095 HD23 LEU A 68 10.636 2.649 -6.363 1.00 1.60 H -ATOM 1096 N LEU A 69 7.140 -0.130 -8.592 1.00 0.40 N -ATOM 1097 CA LEU A 69 7.658 -1.407 -9.164 1.00 0.47 C -ATOM 1098 C LEU A 69 6.966 -1.686 -10.500 1.00 0.51 C -ATOM 1099 O LEU A 69 7.604 -2.009 -11.482 1.00 0.60 O -ATOM 1100 CB LEU A 69 7.375 -2.557 -8.193 1.00 0.47 C -ATOM 1101 CG LEU A 69 8.116 -3.813 -8.658 1.00 1.14 C -ATOM 1102 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 2.02 C -ATOM 1103 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 1.67 C -ATOM 1104 H LEU A 69 6.737 -0.118 -7.696 1.00 0.36 H -ATOM 1105 HA LEU A 69 8.725 -1.324 -9.325 1.00 0.54 H -ATOM 1106 HB2 LEU A 69 7.714 -2.284 -7.204 1.00 0.81 H -ATOM 1107 HB3 LEU A 69 6.314 -2.755 -8.168 1.00 0.89 H -ATOM 1108 HG LEU A 69 7.742 -4.112 -9.627 1.00 1.90 H -ATOM 1109 HD11 LEU A 69 9.892 -2.804 -7.997 1.00 2.49 H -ATOM 1110 HD12 LEU A 69 10.170 -4.432 -8.615 1.00 2.41 H -ATOM 1111 HD13 LEU A 69 9.836 -3.111 -9.733 1.00 2.62 H -ATOM 1112 HD21 LEU A 69 7.158 -4.628 -6.916 1.00 2.08 H -ATOM 1113 HD22 LEU A 69 7.526 -5.818 -8.167 1.00 2.26 H -ATOM 1114 HD23 LEU A 69 8.819 -5.175 -7.155 1.00 2.09 H -ATOM 1115 N ILE A 70 5.669 -1.563 -10.550 1.00 0.47 N -ATOM 1116 CA ILE A 70 4.949 -1.820 -11.829 1.00 0.57 C -ATOM 1117 C ILE A 70 5.506 -0.908 -12.918 1.00 0.65 C -ATOM 1118 O ILE A 70 5.807 -1.348 -14.009 1.00 0.77 O -ATOM 1119 CB ILE A 70 3.457 -1.543 -11.641 1.00 0.55 C -ATOM 1120 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 0.51 C -ATOM 1121 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 0.66 C -ATOM 1122 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 0.54 C -ATOM 1123 H ILE A 70 5.168 -1.298 -9.748 1.00 0.40 H -ATOM 1124 HA ILE A 70 5.091 -2.850 -12.123 1.00 0.62 H -ATOM 1125 HB ILE A 70 3.322 -0.529 -11.290 1.00 0.53 H -ATOM 1126 HG12 ILE A 70 2.791 -3.500 -11.063 1.00 0.59 H -ATOM 1127 HG13 ILE A 70 3.542 -2.576 -9.761 1.00 0.48 H -ATOM 1128 HG21 ILE A 70 3.348 -2.305 -13.643 1.00 1.39 H -ATOM 1129 HG22 ILE A 70 1.795 -2.234 -12.810 1.00 1.07 H -ATOM 1130 HG23 ILE A 70 2.541 -0.755 -13.413 1.00 1.17 H -ATOM 1131 HD11 ILE A 70 1.473 -0.956 -10.207 1.00 1.13 H -ATOM 1132 HD12 ILE A 70 0.747 -2.446 -10.807 1.00 1.23 H -ATOM 1133 HD13 ILE A 70 1.327 -2.356 -9.143 1.00 1.10 H -ATOM 1134 N SER A 71 5.656 0.357 -12.637 1.00 0.63 N -ATOM 1135 CA SER A 71 6.208 1.267 -13.675 1.00 0.76 C -ATOM 1136 C SER A 71 7.569 0.733 -14.108 1.00 0.83 C -ATOM 1137 O SER A 71 7.858 0.612 -15.282 1.00 0.95 O -ATOM 1138 CB SER A 71 6.367 2.674 -13.096 1.00 0.74 C -ATOM 1139 OG SER A 71 5.650 2.763 -11.872 1.00 1.53 O -ATOM 1140 H SER A 71 5.416 0.701 -11.751 1.00 0.55 H -ATOM 1141 HA SER A 71 5.541 1.295 -14.525 1.00 0.83 H -ATOM 1142 HB2 SER A 71 7.410 2.872 -12.912 1.00 1.04 H -ATOM 1143 HB3 SER A 71 5.984 3.398 -13.804 1.00 1.03 H -ATOM 1144 HG SER A 71 6.131 3.354 -11.290 1.00 1.76 H -ATOM 1145 N TYR A 72 8.404 0.395 -13.164 1.00 0.77 N -ATOM 1146 CA TYR A 72 9.740 -0.152 -13.517 1.00 0.87 C -ATOM 1147 C TYR A 72 9.564 -1.398 -14.390 1.00 0.94 C -ATOM 1148 O TYR A 72 10.198 -1.543 -15.415 1.00 1.07 O -ATOM 1149 CB TYR A 72 10.492 -0.525 -12.239 1.00 0.83 C -ATOM 1150 CG TYR A 72 11.736 0.323 -12.119 1.00 1.09 C -ATOM 1151 CD1 TYR A 72 11.626 1.696 -11.868 1.00 1.68 C -ATOM 1152 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 1.74 C -ATOM 1153 CE1 TYR A 72 12.780 2.482 -11.757 1.00 2.03 C -ATOM 1154 CE2 TYR A 72 14.152 0.521 -12.148 1.00 1.99 C -ATOM 1155 CZ TYR A 72 14.043 1.894 -11.896 1.00 1.84 C -ATOM 1156 OH TYR A 72 15.182 2.668 -11.786 1.00 2.25 O -ATOM 1157 H TYR A 72 8.145 0.492 -12.222 1.00 0.68 H -ATOM 1158 HA TYR A 72 10.302 0.594 -14.062 1.00 0.96 H -ATOM 1159 HB2 TYR A 72 9.854 -0.352 -11.384 1.00 0.85 H -ATOM 1160 HB3 TYR A 72 10.770 -1.567 -12.276 1.00 0.87 H -ATOM 1161 HD1 TYR A 72 10.652 2.150 -11.760 1.00 2.29 H -ATOM 1162 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 2.42 H -ATOM 1163 HE1 TYR A 72 12.696 3.541 -11.563 1.00 2.78 H -ATOM 1164 HE2 TYR A 72 15.127 0.067 -12.256 1.00 2.69 H -ATOM 1165 HH TYR A 72 15.556 2.523 -10.914 1.00 2.43 H -ATOM 1166 N GLY A 73 8.699 -2.298 -13.994 1.00 0.88 N -ATOM 1167 CA GLY A 73 8.481 -3.528 -14.806 1.00 0.98 C -ATOM 1168 C GLY A 73 8.060 -3.130 -16.219 1.00 1.10 C -ATOM 1169 O GLY A 73 8.584 -3.624 -17.197 1.00 1.24 O -ATOM 1170 H GLY A 73 8.193 -2.164 -13.166 1.00 0.78 H -ATOM 1171 HA2 GLY A 73 9.397 -4.099 -14.848 1.00 1.05 H -ATOM 1172 HA3 GLY A 73 7.703 -4.125 -14.357 1.00 0.93 H -ATOM 1173 N ILE A 74 7.121 -2.230 -16.334 1.00 1.07 N -ATOM 1174 CA ILE A 74 6.678 -1.795 -17.690 1.00 1.22 C -ATOM 1175 C ILE A 74 7.891 -1.262 -18.459 1.00 1.34 C -ATOM 1176 O ILE A 74 8.114 -1.609 -19.600 1.00 1.50 O -ATOM 1177 CB ILE A 74 5.607 -0.702 -17.560 1.00 1.20 C -ATOM 1178 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 1.37 C -ATOM 1179 CG2 ILE A 74 5.525 0.112 -18.855 1.00 1.50 C -ATOM 1180 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 1.81 C -ATOM 1181 H ILE A 74 6.712 -1.840 -15.529 1.00 0.95 H -ATOM 1182 HA ILE A 74 6.264 -2.643 -18.218 1.00 1.29 H -ATOM 1183 HB ILE A 74 5.858 -0.045 -16.740 1.00 1.42 H -ATOM 1184 HG12 ILE A 74 3.476 -0.808 -17.814 1.00 1.68 H -ATOM 1185 HG13 ILE A 74 4.266 -2.376 -17.649 1.00 1.85 H -ATOM 1186 HG21 ILE A 74 5.698 -0.538 -19.700 1.00 1.93 H -ATOM 1187 HG22 ILE A 74 4.544 0.557 -18.940 1.00 1.99 H -ATOM 1188 HG23 ILE A 74 6.273 0.890 -18.840 1.00 1.84 H -ATOM 1189 HD11 ILE A 74 4.355 -0.444 -15.355 1.00 2.15 H -ATOM 1190 HD12 ILE A 74 2.890 -1.386 -15.633 1.00 2.28 H -ATOM 1191 HD13 ILE A 74 4.421 -2.206 -15.332 1.00 2.29 H -ATOM 1192 N ARG A 75 8.676 -0.423 -17.840 1.00 1.29 N -ATOM 1193 CA ARG A 75 9.878 0.131 -18.532 1.00 1.42 C -ATOM 1194 C ARG A 75 10.776 -1.015 -18.998 1.00 1.52 C -ATOM 1195 O ARG A 75 11.228 -1.035 -20.125 1.00 1.68 O -ATOM 1196 CB ARG A 75 10.658 1.040 -17.578 1.00 1.36 C -ATOM 1197 CG ARG A 75 11.623 1.914 -18.382 1.00 1.61 C -ATOM 1198 CD ARG A 75 13.054 1.412 -18.184 1.00 1.77 C -ATOM 1199 NE ARG A 75 13.332 1.263 -16.727 1.00 1.70 N -ATOM 1200 CZ ARG A 75 14.366 0.573 -16.328 1.00 2.10 C -ATOM 1201 NH1 ARG A 75 15.557 0.864 -16.776 1.00 2.69 N -ATOM 1202 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 2.54 N -ATOM 1203 H ARG A 75 8.476 -0.160 -16.917 1.00 1.17 H -ATOM 1204 HA ARG A 75 9.559 0.701 -19.396 1.00 1.53 H -ATOM 1205 HB2 ARG A 75 9.968 1.671 -17.035 1.00 1.77 H -ATOM 1206 HB3 ARG A 75 11.219 0.435 -16.881 1.00 1.52 H -ATOM 1207 HG2 ARG A 75 11.365 1.864 -19.430 1.00 2.02 H -ATOM 1208 HG3 ARG A 75 11.551 2.936 -18.041 1.00 2.12 H -ATOM 1209 HD2 ARG A 75 13.172 0.457 -18.673 1.00 2.20 H -ATOM 1210 HD3 ARG A 75 13.748 2.123 -18.611 1.00 2.01 H -ATOM 1211 HE ARG A 75 12.738 1.680 -16.070 1.00 1.66 H -ATOM 1212 HH11 ARG A 75 15.677 1.614 -17.426 1.00 3.04 H -ATOM 1213 HH12 ARG A 75 16.349 0.335 -16.471 1.00 3.11 H -ATOM 1214 HH21 ARG A 75 13.297 -0.628 -15.136 1.00 2.81 H -ATOM 1215 HH22 ARG A 75 15.002 -0.934 -15.174 1.00 2.97 H -ATOM 1216 N ARG A 76 11.039 -1.973 -18.150 1.00 1.43 N -ATOM 1217 CA ARG A 76 11.906 -3.104 -18.580 1.00 1.55 C -ATOM 1218 C ARG A 76 11.275 -3.729 -19.819 1.00 1.67 C -ATOM 1219 O ARG A 76 11.926 -3.948 -20.820 1.00 1.83 O -ATOM 1220 CB ARG A 76 11.991 -4.145 -17.460 1.00 1.45 C -ATOM 1221 CG ARG A 76 13.012 -5.220 -17.838 1.00 1.62 C -ATOM 1222 CD ARG A 76 13.707 -5.731 -16.573 1.00 1.72 C -ATOM 1223 NE ARG A 76 14.771 -6.708 -16.944 1.00 2.17 N -ATOM 1224 CZ ARG A 76 14.588 -7.531 -17.942 1.00 2.50 C -ATOM 1225 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 2.89 N -ATOM 1226 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 3.17 N -ATOM 1227 H ARG A 76 10.666 -1.950 -17.243 1.00 1.30 H -ATOM 1228 HA ARG A 76 12.894 -2.738 -18.818 1.00 1.63 H -ATOM 1229 HB2 ARG A 76 12.299 -3.662 -16.543 1.00 1.45 H -ATOM 1230 HB3 ARG A 76 11.024 -4.602 -17.319 1.00 1.41 H -ATOM 1231 HG2 ARG A 76 12.506 -6.040 -18.328 1.00 1.82 H -ATOM 1232 HG3 ARG A 76 13.748 -4.800 -18.506 1.00 2.06 H -ATOM 1233 HD2 ARG A 76 14.152 -4.900 -16.048 1.00 2.19 H -ATOM 1234 HD3 ARG A 76 12.981 -6.214 -15.935 1.00 2.00 H -ATOM 1235 HE ARG A 76 15.611 -6.733 -16.438 1.00 2.74 H -ATOM 1236 HH11 ARG A 76 13.523 -8.841 -16.865 1.00 3.01 H -ATOM 1237 HH12 ARG A 76 13.765 -9.259 -18.529 1.00 3.47 H -ATOM 1238 HH21 ARG A 76 15.610 -6.413 -19.253 1.00 3.47 H -ATOM 1239 HH22 ARG A 76 14.946 -7.885 -19.880 1.00 3.71 H -ATOM 1240 N LEU A 77 9.997 -3.976 -19.771 1.00 1.62 N -ATOM 1241 CA LEU A 77 9.304 -4.538 -20.959 1.00 1.76 C -ATOM 1242 C LEU A 77 9.532 -3.582 -22.129 1.00 1.92 C -ATOM 1243 O LEU A 77 9.858 -3.993 -23.223 1.00 2.09 O -ATOM 1244 CB LEU A 77 7.806 -4.653 -20.673 1.00 1.69 C -ATOM 1245 CG LEU A 77 7.473 -6.083 -20.247 1.00 1.72 C -ATOM 1246 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 1.72 C -ATOM 1247 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 2.01 C -ATOM 1248 H LEU A 77 9.486 -3.761 -18.963 1.00 1.49 H -ATOM 1249 HA LEU A 77 9.710 -5.510 -21.195 1.00 1.83 H -ATOM 1250 HB2 LEU A 77 7.537 -3.969 -19.881 1.00 1.59 H -ATOM 1251 HB3 LEU A 77 7.249 -4.407 -21.565 1.00 1.80 H -ATOM 1252 HG LEU A 77 8.251 -6.454 -19.594 1.00 1.71 H -ATOM 1253 HD11 LEU A 77 5.630 -5.153 -19.660 1.00 1.99 H -ATOM 1254 HD12 LEU A 77 5.521 -6.900 -19.882 1.00 2.11 H -ATOM 1255 HD13 LEU A 77 6.311 -6.240 -18.449 1.00 1.93 H -ATOM 1256 HD21 LEU A 77 8.122 -6.669 -22.208 1.00 2.56 H -ATOM 1257 HD22 LEU A 77 7.546 -8.001 -21.207 1.00 2.23 H -ATOM 1258 HD23 LEU A 77 6.393 -6.876 -21.925 1.00 2.13 H -ATOM 1259 N ILE A 78 9.346 -2.306 -21.877 1.00 1.89 N -ATOM 1260 CA ILE A 78 9.524 -1.246 -22.916 1.00 2.07 C -ATOM 1261 C ILE A 78 8.176 -0.941 -23.564 1.00 2.17 C -ATOM 1262 O ILE A 78 7.685 -1.678 -24.395 1.00 2.50 O -ATOM 1263 CB ILE A 78 10.538 -1.679 -23.975 1.00 2.14 C -ATOM 1264 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 2.13 C -ATOM 1265 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 2.25 C -ATOM 1266 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 2.38 C -ATOM 1267 H ILE A 78 9.078 -2.040 -20.976 1.00 1.77 H -ATOM 1268 HA ILE A 78 9.885 -0.348 -22.433 1.00 2.26 H -ATOM 1269 HB ILE A 78 10.139 -2.498 -24.549 1.00 2.30 H -ATOM 1270 HG12 ILE A 78 12.595 -1.363 -23.453 1.00 2.27 H -ATOM 1271 HG13 ILE A 78 11.651 -2.190 -22.212 1.00 2.04 H -ATOM 1272 HG21 ILE A 78 10.468 0.412 -24.455 1.00 2.53 H -ATOM 1273 HG22 ILE A 78 11.895 -0.425 -25.067 1.00 2.38 H -ATOM 1274 HG23 ILE A 78 10.332 -0.656 -25.851 1.00 2.56 H -ATOM 1275 HD11 ILE A 78 11.693 -3.722 -24.683 1.00 2.64 H -ATOM 1276 HD12 ILE A 78 13.331 -3.392 -24.117 1.00 2.66 H -ATOM 1277 HD13 ILE A 78 12.181 -4.213 -23.061 1.00 2.72 H -ATOM 1278 N LYS A 79 7.572 0.147 -23.170 1.00 2.25 N -ATOM 1279 CA LYS A 79 6.247 0.522 -23.735 1.00 2.60 C -ATOM 1280 C LYS A 79 6.445 1.288 -25.045 1.00 2.97 C -ATOM 1281 O LYS A 79 7.143 2.281 -25.094 1.00 3.27 O -ATOM 1282 CB LYS A 79 5.505 1.407 -22.730 1.00 2.80 C -ATOM 1283 CG LYS A 79 3.998 1.172 -22.853 1.00 3.38 C -ATOM 1284 CD LYS A 79 3.248 2.201 -22.003 1.00 3.94 C -ATOM 1285 CE LYS A 79 2.282 2.990 -22.891 1.00 4.56 C -ATOM 1286 NZ LYS A 79 1.757 4.161 -22.134 1.00 5.22 N -ATOM 1287 H LYS A 79 7.993 0.717 -22.493 1.00 2.32 H -ATOM 1288 HA LYS A 79 5.669 -0.371 -23.923 1.00 2.72 H -ATOM 1289 HB2 LYS A 79 5.829 1.162 -21.726 1.00 2.65 H -ATOM 1290 HB3 LYS A 79 5.723 2.445 -22.934 1.00 3.01 H -ATOM 1291 HG2 LYS A 79 3.702 1.271 -23.886 1.00 3.67 H -ATOM 1292 HG3 LYS A 79 3.760 0.178 -22.503 1.00 3.67 H -ATOM 1293 HD2 LYS A 79 2.693 1.693 -21.228 1.00 4.28 H -ATOM 1294 HD3 LYS A 79 3.956 2.880 -21.553 1.00 4.08 H -ATOM 1295 HE2 LYS A 79 2.803 3.334 -23.771 1.00 4.79 H -ATOM 1296 HE3 LYS A 79 1.461 2.353 -23.183 1.00 4.75 H -ATOM 1297 HZ1 LYS A 79 2.549 4.760 -21.827 1.00 5.33 H -ATOM 1298 HZ2 LYS A 79 1.124 4.714 -22.746 1.00 5.57 H -ATOM 1299 HZ3 LYS A 79 1.230 3.827 -21.301 1.00 5.57 H -ATOM 1300 N LYS A 80 5.839 0.828 -26.107 1.00 3.27 N -ATOM 1301 CA LYS A 80 5.992 1.524 -27.419 1.00 3.83 C -ATOM 1302 C LYS A 80 7.450 1.434 -27.874 1.00 4.00 C -ATOM 1303 O LYS A 80 7.894 2.347 -28.552 1.00 4.36 O -ATOM 1304 CB LYS A 80 5.593 3.000 -27.279 1.00 4.43 C -ATOM 1305 CG LYS A 80 4.118 3.112 -26.883 1.00 5.03 C -ATOM 1306 CD LYS A 80 3.235 2.626 -28.036 1.00 5.77 C -ATOM 1307 CE LYS A 80 1.930 2.054 -27.477 1.00 6.68 C -ATOM 1308 NZ LYS A 80 1.045 3.172 -27.041 1.00 7.38 N -ATOM 1309 OXT LYS A 80 8.096 0.455 -27.539 1.00 4.28 O -ATOM 1310 H LYS A 80 5.287 0.019 -26.042 1.00 3.31 H -ATOM 1311 HA LYS A 80 5.359 1.049 -28.154 1.00 4.17 H -ATOM 1312 HB2 LYS A 80 6.206 3.467 -26.523 1.00 4.57 H -ATOM 1313 HB3 LYS A 80 5.747 3.502 -28.223 1.00 4.74 H -ATOM 1314 HG2 LYS A 80 3.930 2.510 -26.006 1.00 5.27 H -ATOM 1315 HG3 LYS A 80 3.882 4.143 -26.666 1.00 5.11 H -ATOM 1316 HD2 LYS A 80 3.014 3.455 -28.693 1.00 5.83 H -ATOM 1317 HD3 LYS A 80 3.754 1.858 -28.589 1.00 5.97 H -ATOM 1318 HE2 LYS A 80 1.432 1.480 -28.244 1.00 6.97 H -ATOM 1319 HE3 LYS A 80 2.149 1.417 -26.633 1.00 6.87 H -ATOM 1320 HZ1 LYS A 80 1.552 4.074 -27.134 1.00 7.46 H -ATOM 1321 HZ2 LYS A 80 0.192 3.188 -27.637 1.00 7.83 H -ATOM 1322 HZ3 LYS A 80 0.772 3.030 -26.048 1.00 7.60 H -TER 1323 LYS A 80 -END +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 18.74 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 18.11 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 17.30 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 17.26 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 18.42 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 18.58 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 18.59 C +ATOM 8 H1 VAL A 1 13.066 16.970 1.016 1.00 18.63 H +ATOM 9 H2 VAL A 1 12.320 16.071 -0.218 1.00 19.07 H +ATOM 10 H3 VAL A 1 11.499 17.370 0.499 1.00 19.08 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 18.15 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 18.56 H +ATOM 13 HG11 VAL A 1 14.041 15.107 1.752 1.00 18.56 H +ATOM 14 HG12 VAL A 1 14.050 13.354 1.557 1.00 18.83 H +ATOM 15 HG13 VAL A 1 13.820 14.397 0.153 1.00 18.58 H +ATOM 16 HG21 VAL A 1 10.757 13.506 2.932 1.00 18.63 H +ATOM 17 HG22 VAL A 1 11.938 12.323 2.372 1.00 18.86 H +ATOM 18 HG23 VAL A 1 12.436 13.621 3.457 1.00 18.54 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 16.78 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 16.11 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 15.69 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 15.68 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 16.10 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 15.49 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 15.09 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 15.39 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 14.56 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 16.93 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 16.10 H +ATOM 30 HB2 GLN A 2 12.118 19.447 4.404 1.00 16.14 H +ATOM 31 HB3 GLN A 2 10.444 19.246 4.920 1.00 16.63 H +ATOM 32 HG2 GLN A 2 11.997 20.559 6.499 1.00 15.60 H +ATOM 33 HG3 GLN A 2 11.035 19.270 7.221 1.00 15.40 H +ATOM 34 HE21 GLN A 2 12.192 17.748 8.419 1.00 14.40 H +ATOM 35 HE22 GLN A 2 13.868 17.501 8.313 1.00 14.42 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 15.49 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 15.26 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 14.77 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 14.94 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 15.58 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 15.97 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 16.71 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 16.05 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 15.59 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 15.38 H +ATOM 46 HB2 LEU A 3 11.006 14.353 7.407 1.00 15.74 H +ATOM 47 HB3 LEU A 3 9.798 14.615 8.666 1.00 15.55 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 15.84 H +ATOM 49 HD11 LEU A 3 11.219 12.297 6.318 1.00 16.93 H +ATOM 50 HD12 LEU A 3 9.924 11.099 6.301 1.00 16.80 H +ATOM 51 HD13 LEU A 3 9.724 12.628 5.443 1.00 17.03 H +ATOM 52 HD21 LEU A 3 9.809 12.598 9.699 1.00 16.08 H +ATOM 53 HD22 LEU A 3 9.612 11.061 8.856 1.00 15.96 H +ATOM 54 HD23 LEU A 3 11.139 11.939 8.745 1.00 16.30 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 14.32 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 14.03 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 13.34 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 13.29 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 14.31 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 14.30 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 14.29 H +ATOM 62 HB1 ALA A 4 5.481 16.332 7.735 1.00 14.32 H +ATOM 63 HB2 ALA A 4 4.726 16.690 9.287 1.00 14.34 H +ATOM 64 HB3 ALA A 4 5.478 17.983 8.353 1.00 14.64 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 12.98 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 12.48 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 11.62 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 11.76 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 12.81 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 13.36 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 13.57 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 13.93 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 14.23 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 14.47 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 13.15 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 12.71 H +ATOM 77 HB2 HIS A 5 6.718 12.902 11.541 1.00 13.05 H +ATOM 78 HB3 HIS A 5 6.612 12.797 13.298 1.00 12.61 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 13.40 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 14.07 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 14.63 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 10.90 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 10.21 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 9.43 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 9.32 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 10.37 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 10.53 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 10.58 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 10.88 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 10.97 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 11.15 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 10.94 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 10.38 H +ATOM 94 HB2 HIS A 6 10.510 15.350 14.316 1.00 10.69 H +ATOM 95 HB3 HIS A 6 11.169 14.900 15.889 1.00 10.30 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 10.50 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 11.09 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 11.25 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 9.11 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 8.55 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 7.46 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 7.39 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 8.98 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 9.76 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 10.29 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 10.19 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 11.19 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 11.10 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 11.57 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 9.39 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 8.86 H +ATOM 112 HB2 PHE A 7 7.868 15.358 18.619 1.00 9.18 H +ATOM 113 HB3 PHE A 7 7.640 14.399 20.081 1.00 8.77 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 10.16 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 9.98 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 11.72 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 11.57 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 12.35 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 6.86 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 6.01 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 5.07 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 5.28 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 6.54 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 7.08 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 7.15 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 6.02 H +ATOM 127 HB2 SER A 8 5.243 10.099 20.834 1.00 6.79 H +ATOM 128 HB3 SER A 8 5.897 11.728 20.968 1.00 6.61 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 7.42 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 4.41 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 3.84 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 2.84 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 3.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 4.55 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 5.41 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 6.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 6.49 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 6.28 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 4.61 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 4.12 H +ATOM 141 HB2 GLU A 9 6.228 5.717 18.385 1.00 4.86 H +ATOM 142 HB3 GLU A 9 6.813 5.694 16.722 1.00 4.60 H +ATOM 143 HG2 GLU A 9 8.680 7.302 17.746 1.00 5.70 H +ATOM 144 HG3 GLU A 9 8.253 6.447 19.228 1.00 5.72 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 2.18 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 1.51 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 1.23 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 1.13 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 1.87 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 2.49 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 2.65 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 1.77 H +ATOM 153 HB2 PRO A 10 2.338 9.126 13.888 1.00 2.10 H +ATOM 154 HB3 PRO A 10 1.972 10.228 15.221 1.00 2.10 H +ATOM 155 HG2 PRO A 10 4.405 10.080 13.670 1.00 3.08 H +ATOM 156 HG3 PRO A 10 4.020 11.198 14.984 1.00 2.65 H +ATOM 157 HD2 PRO A 10 5.850 8.981 15.049 1.00 3.25 H +ATOM 158 HD3 PRO A 10 5.426 10.077 16.380 1.00 2.87 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 1.29 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 1.13 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 1.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.97 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 1.32 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 1.94 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 2.47 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 2.89 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 3.01 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 1.55 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 1.09 H +ATOM 170 HB2 GLU A 11 -0.348 4.785 16.531 1.00 1.69 H +ATOM 171 HB3 GLU A 11 -0.024 3.275 15.679 1.00 1.69 H +ATOM 172 HG2 GLU A 11 0.828 2.614 17.688 1.00 2.39 H +ATOM 173 HG3 GLU A 11 2.251 3.513 17.160 1.00 2.45 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 0.99 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 0.91 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 0.80 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 0.74 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 1.03 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 1.05 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 1.28 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 1.48 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 1.08 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 0.89 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 1.22 H +ATOM 185 HG12 ILE A 12 -3.166 8.653 11.564 1.00 1.37 H +ATOM 186 HG13 ILE A 12 -2.190 7.468 10.695 1.00 1.18 H +ATOM 187 HG21 ILE A 12 -0.262 8.757 13.707 1.00 1.67 H +ATOM 188 HG22 ILE A 12 -0.514 9.090 11.993 1.00 1.67 H +ATOM 189 HG23 ILE A 12 -1.677 9.673 13.185 1.00 1.72 H +ATOM 190 HD11 ILE A 12 -3.597 5.942 12.550 1.00 1.86 H +ATOM 191 HD12 ILE A 12 -4.780 7.127 11.993 1.00 2.05 H +ATOM 192 HD13 ILE A 12 -3.965 6.080 10.831 1.00 1.87 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 0.81 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 0.76 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 0.68 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 0.62 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 0.86 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 1.35 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 1.19 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 0.89 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 0.74 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 1.13 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 1.84 H +ATOM 204 HG21 THR A 13 1.589 10.024 12.390 1.00 1.65 H +ATOM 205 HG22 THR A 13 3.163 10.814 12.479 1.00 1.61 H +ATOM 206 HG23 THR A 13 2.254 10.827 10.968 1.00 1.72 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 0.72 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 0.69 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 0.58 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 0.50 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 0.82 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 0.88 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 0.87 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 1.02 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 0.80 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 0.67 H +ATOM 217 HB2 LEU A 14 4.844 4.522 12.553 1.00 1.22 H +ATOM 218 HB3 LEU A 14 3.742 3.198 12.178 1.00 0.83 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 1.30 H +ATOM 220 HD11 LEU A 14 5.565 2.209 13.303 1.00 1.27 H +ATOM 221 HD12 LEU A 14 5.611 0.976 12.042 1.00 1.28 H +ATOM 222 HD13 LEU A 14 7.081 1.847 12.477 1.00 1.34 H +ATOM 223 HD21 LEU A 14 4.341 1.893 10.050 1.00 1.44 H +ATOM 224 HD22 LEU A 14 5.379 3.024 9.183 1.00 1.64 H +ATOM 225 HD23 LEU A 14 6.043 1.509 9.793 1.00 1.43 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 0.62 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 0.57 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 0.45 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 0.38 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 0.69 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 0.91 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 0.76 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 1.10 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 0.71 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 0.58 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 0.63 H +ATOM 237 HG12 ILE A 15 -0.165 0.830 11.538 1.00 0.92 H +ATOM 238 HG13 ILE A 15 0.636 2.256 12.200 1.00 0.98 H +ATOM 239 HG21 ILE A 15 -1.137 0.950 9.248 1.00 1.24 H +ATOM 240 HG22 ILE A 15 -2.422 1.676 10.214 1.00 1.27 H +ATOM 241 HG23 ILE A 15 -1.853 2.485 8.754 1.00 1.35 H +ATOM 242 HD11 ILE A 15 -2.373 2.041 12.129 1.00 1.66 H +ATOM 243 HD12 ILE A 15 -1.436 1.369 13.463 1.00 1.56 H +ATOM 244 HD13 ILE A 15 -1.372 3.098 13.125 1.00 1.37 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 0.44 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 0.36 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 0.28 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 0.25 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 0.39 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 1.21 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 1.18 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 1.58 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 0.50 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 0.38 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 0.83 H +ATOM 256 HG12 ILE A 16 -2.240 6.820 7.256 1.00 1.92 H +ATOM 257 HG13 ILE A 16 -1.500 6.481 8.821 1.00 1.86 H +ATOM 258 HG21 ILE A 16 0.152 6.928 5.112 1.00 1.76 H +ATOM 259 HG22 ILE A 16 -1.022 8.082 5.744 1.00 1.82 H +ATOM 260 HG23 ILE A 16 0.704 8.377 5.952 1.00 1.61 H +ATOM 261 HD11 ILE A 16 -1.346 9.181 7.458 1.00 2.05 H +ATOM 262 HD12 ILE A 16 -2.579 8.761 8.649 1.00 2.07 H +ATOM 263 HD13 ILE A 16 -0.877 8.789 9.112 1.00 2.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 0.31 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 0.32 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 0.30 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 0.30 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 0.41 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 0.80 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 1.52 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 1.66 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 1.97 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 2.09 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 1.95 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 0.36 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 0.32 H +ATOM 277 HB2 PHE A 17 4.737 5.017 7.757 1.00 0.65 H +ATOM 278 HB3 PHE A 17 5.792 4.796 6.363 1.00 0.64 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 2.18 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 2.34 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 2.73 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 2.89 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 2.41 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 0.31 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 0.32 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 0.26 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 0.26 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 0.34 H +ATOM 289 HA2 GLY A 18 4.506 1.112 5.208 1.00 0.36 H +ATOM 290 HA3 GLY A 18 3.198 0.670 6.309 1.00 0.35 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 0.23 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 0.22 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 0.21 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 0.22 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 0.24 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 0.28 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 0.28 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 0.24 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 0.24 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 0.25 H +ATOM 301 HG11 VAL A 19 -1.442 1.985 1.761 1.00 1.07 H +ATOM 302 HG12 VAL A 19 -2.756 1.752 2.914 1.00 1.05 H +ATOM 303 HG13 VAL A 19 -2.283 3.383 2.434 1.00 1.05 H +ATOM 304 HG21 VAL A 19 -0.732 1.187 5.532 1.00 1.03 H +ATOM 305 HG22 VAL A 19 -1.945 2.458 5.681 1.00 1.10 H +ATOM 306 HG23 VAL A 19 -2.277 1.034 4.696 1.00 1.03 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 0.22 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 0.25 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 0.27 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 0.28 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 0.29 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 0.36 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 1.07 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 1.70 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 0.22 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 0.26 H +ATOM 317 HB2 MET A 20 3.355 5.424 2.699 1.00 0.33 H +ATOM 318 HB3 MET A 20 3.435 6.068 1.058 1.00 0.34 H +ATOM 319 HG2 MET A 20 0.835 6.461 1.463 1.00 0.70 H +ATOM 320 HG3 MET A 20 1.337 6.469 3.153 1.00 0.72 H +ATOM 321 HE1 MET A 20 -0.050 8.308 1.356 1.00 2.15 H +ATOM 322 HE2 MET A 20 0.362 9.709 2.341 1.00 2.21 H +ATOM 323 HE3 MET A 20 0.802 9.681 0.636 1.00 2.23 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 0.28 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 0.32 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 0.30 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 0.30 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 0.37 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 0.29 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 0.34 H +ATOM 331 HB1 ALA A 21 5.474 1.551 3.017 1.00 1.10 H +ATOM 332 HB2 ALA A 21 6.213 0.395 1.905 1.00 1.10 H +ATOM 333 HB3 ALA A 21 6.963 1.968 2.173 1.00 1.06 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 0.28 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 0.27 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 0.23 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 0.23 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 0.28 H +ATOM 339 HA2 GLY A 22 3.753 -1.610 -0.492 1.00 0.30 H +ATOM 340 HA3 GLY A 22 2.148 -1.252 0.152 1.00 0.28 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 0.21 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 0.19 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 0.20 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 0.19 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 0.22 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 0.28 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 0.27 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 0.21 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 0.19 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 0.26 H +ATOM 351 HG11 VAL A 23 0.275 2.913 -4.723 1.00 1.04 H +ATOM 352 HG12 VAL A 23 -0.217 4.334 -3.801 1.00 1.03 H +ATOM 353 HG13 VAL A 23 1.481 4.096 -4.217 1.00 1.04 H +ATOM 354 HG21 VAL A 23 -0.764 1.461 -2.019 1.00 1.09 H +ATOM 355 HG22 VAL A 23 -0.588 2.873 -0.977 1.00 1.03 H +ATOM 356 HG23 VAL A 23 -1.362 3.031 -2.553 1.00 1.03 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 0.23 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 0.27 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 0.27 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 0.28 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 0.33 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 0.67 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 0.75 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 1.20 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 0.25 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 0.28 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 0.41 H +ATOM 368 HG12 ILE A 24 4.509 4.370 -2.029 1.00 1.29 H +ATOM 369 HG13 ILE A 24 6.149 4.854 -1.595 1.00 1.22 H +ATOM 370 HG21 ILE A 24 7.077 3.642 -4.886 1.00 1.13 H +ATOM 371 HG22 ILE A 24 7.715 4.537 -3.507 1.00 1.25 H +ATOM 372 HG23 ILE A 24 8.052 2.814 -3.671 1.00 1.43 H +ATOM 373 HD11 ILE A 24 5.255 5.230 -4.428 1.00 1.91 H +ATOM 374 HD12 ILE A 24 4.680 6.365 -3.206 1.00 1.60 H +ATOM 375 HD13 ILE A 24 6.411 6.171 -3.484 1.00 1.67 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 0.29 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 0.33 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 0.30 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 0.33 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 0.30 H +ATOM 381 HA2 GLY A 25 7.208 -0.780 -4.746 1.00 0.38 H +ATOM 382 HA3 GLY A 25 6.145 -1.716 -3.692 1.00 0.37 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 0.25 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 0.25 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 0.26 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 0.32 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 0.24 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 0.34 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 0.31 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 0.24 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 0.31 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 0.22 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 0.40 H +ATOM 394 HG21 THR A 26 1.315 -1.690 -8.351 1.00 1.10 H +ATOM 395 HG22 THR A 26 0.581 -2.963 -7.376 1.00 0.98 H +ATOM 396 HG23 THR A 26 -0.119 -1.345 -7.384 1.00 1.03 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 0.24 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 0.33 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 0.39 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 0.47 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 0.37 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 0.39 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 0.47 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 0.49 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 0.22 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 0.38 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 0.37 H +ATOM 408 HG12 ILE A 27 1.872 3.224 -8.418 1.00 0.46 H +ATOM 409 HG13 ILE A 27 2.295 2.707 -6.786 1.00 0.38 H +ATOM 410 HG21 ILE A 27 4.531 3.303 -10.146 1.00 1.04 H +ATOM 411 HG22 ILE A 27 3.742 4.645 -9.316 1.00 1.19 H +ATOM 412 HG23 ILE A 27 5.416 4.237 -8.940 1.00 1.15 H +ATOM 413 HD11 ILE A 27 3.657 5.012 -6.827 1.00 1.14 H +ATOM 414 HD12 ILE A 27 2.410 5.429 -8.002 1.00 1.07 H +ATOM 415 HD13 ILE A 27 1.956 4.947 -6.367 1.00 1.21 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 0.39 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 0.49 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 0.53 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 0.62 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 0.53 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 0.59 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 0.68 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 0.65 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 0.34 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 0.55 H +ATOM 426 HB2 LEU A 28 9.271 0.916 -7.976 1.00 0.60 H +ATOM 427 HB3 LEU A 28 7.975 0.190 -7.035 1.00 0.54 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 0.61 H +ATOM 429 HD11 LEU A 28 9.660 -0.862 -10.178 1.00 1.18 H +ATOM 430 HD12 LEU A 28 10.972 -0.508 -9.054 1.00 1.37 H +ATOM 431 HD13 LEU A 28 10.567 -2.181 -9.439 1.00 1.06 H +ATOM 432 HD21 LEU A 28 9.859 -0.724 -6.142 1.00 1.31 H +ATOM 433 HD22 LEU A 28 9.482 -2.432 -6.370 1.00 1.06 H +ATOM 434 HD23 LEU A 28 10.962 -1.756 -7.050 1.00 1.25 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 0.49 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 0.57 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 0.60 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 0.71 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 0.56 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 1.24 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 1.76 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 1.92 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 0.44 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 0.65 H +ATOM 445 HB2 LEU A 29 5.866 -4.145 -8.630 1.00 0.97 H +ATOM 446 HB3 LEU A 29 4.486 -3.598 -9.585 1.00 0.94 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 1.94 H +ATOM 448 HD11 LEU A 29 7.605 -5.429 -10.191 1.00 2.23 H +ATOM 449 HD12 LEU A 29 6.736 -6.484 -9.077 1.00 2.17 H +ATOM 450 HD13 LEU A 29 6.862 -6.915 -10.783 1.00 2.19 H +ATOM 451 HD21 LEU A 29 3.954 -5.820 -8.931 1.00 2.33 H +ATOM 452 HD22 LEU A 29 3.459 -6.056 -10.607 1.00 2.54 H +ATOM 453 HD23 LEU A 29 4.558 -7.204 -9.842 1.00 2.27 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 0.55 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 0.65 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 0.75 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 0.87 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 0.63 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 0.58 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 0.75 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 0.66 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 0.47 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 0.70 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 0.62 H +ATOM 465 HG12 ILE A 30 1.291 -1.734 -12.162 1.00 0.65 H +ATOM 466 HG13 ILE A 30 2.403 -1.595 -10.800 1.00 0.53 H +ATOM 467 HG21 ILE A 30 2.917 0.172 -14.559 1.00 1.21 H +ATOM 468 HG22 ILE A 30 1.405 -0.548 -14.005 1.00 1.08 H +ATOM 469 HG23 ILE A 30 1.794 1.121 -13.584 1.00 1.31 H +ATOM 470 HD11 ILE A 30 1.321 0.984 -11.174 1.00 0.98 H +ATOM 471 HD12 ILE A 30 -0.038 -0.132 -11.300 1.00 1.16 H +ATOM 472 HD13 ILE A 30 0.973 -0.135 -9.856 1.00 1.31 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 0.73 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 0.87 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 0.94 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 1.07 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 0.86 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 1.29 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 0.65 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 0.95 H +ATOM 481 HB2 SER A 31 8.229 1.269 -12.553 1.00 1.00 H +ATOM 482 HB3 SER A 31 8.389 2.364 -13.923 1.00 1.28 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 1.40 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 0.89 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 1.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 1.05 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 1.18 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 0.96 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 1.27 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 1.62 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 2.13 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 1.95 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 2.53 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 2.15 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 2.64 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 0.80 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 1.09 H +ATOM 498 HB2 TYR A 32 8.905 -2.978 -12.755 1.00 0.96 H +ATOM 499 HB3 TYR A 32 9.236 -4.144 -14.037 1.00 1.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 2.19 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 2.77 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 2.53 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 3.38 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 2.82 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.97 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 1.05 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 1.16 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 1.29 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.88 H +ATOM 510 HA2 GLY A 33 6.606 -4.793 -16.846 1.00 1.11 H +ATOM 511 HA3 GLY A 33 5.165 -4.072 -16.126 1.00 0.99 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 1.14 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 1.29 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 1.41 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 1.55 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 1.28 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 1.74 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 1.77 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 2.19 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 1.05 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 1.35 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 1.42 H +ATOM 523 HG12 ILE A 34 3.899 2.292 -18.745 1.00 2.09 H +ATOM 524 HG13 ILE A 34 4.427 1.254 -20.069 1.00 2.18 H +ATOM 525 HG21 ILE A 34 7.171 1.113 -17.556 1.00 2.04 H +ATOM 526 HG22 ILE A 34 6.717 1.744 -19.137 1.00 2.31 H +ATOM 527 HG23 ILE A 34 6.118 2.520 -17.671 1.00 2.25 H +ATOM 528 HD11 ILE A 34 2.915 -0.321 -18.200 1.00 2.56 H +ATOM 529 HD12 ILE A 34 1.983 1.114 -18.628 1.00 2.60 H +ATOM 530 HD13 ILE A 34 2.553 0.024 -19.892 1.00 2.54 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 1.37 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 1.51 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 1.58 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 1.73 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 1.46 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 1.73 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 2.03 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 2.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 2.45 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 2.76 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 3.14 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 1.27 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 1.61 H +ATOM 544 HB2 ARG A 35 10.316 -1.370 -17.915 1.00 1.77 H +ATOM 545 HB3 ARG A 35 11.321 -0.591 -19.138 1.00 1.58 H +ATOM 546 HG2 ARG A 35 9.715 1.487 -18.346 1.00 2.15 H +ATOM 547 HG3 ARG A 35 9.907 0.593 -16.837 1.00 2.19 H +ATOM 548 HD2 ARG A 35 12.160 1.549 -18.628 1.00 2.45 H +ATOM 549 HD3 ARG A 35 11.701 2.257 -17.081 1.00 2.48 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 2.02 H +ATOM 551 HH11 ARG A 35 13.904 1.948 -15.585 1.00 2.90 H +ATOM 552 HH12 ARG A 35 15.459 1.481 -16.185 1.00 3.21 H +ATOM 553 HH21 ARG A 35 14.201 -0.940 -18.325 1.00 3.41 H +ATOM 554 HH22 ARG A 35 15.628 -0.153 -17.738 1.00 3.66 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 1.50 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 1.59 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 1.69 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 1.84 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 1.50 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 1.77 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 2.23 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 2.70 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 3.07 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 3.56 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 3.58 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 1.38 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 1.68 H +ATOM 568 HB2 ARG A 36 9.201 -5.395 -18.881 1.00 1.51 H +ATOM 569 HB3 ARG A 36 7.629 -5.391 -19.682 1.00 1.60 H +ATOM 570 HG2 ARG A 36 9.746 -6.515 -21.364 1.00 2.13 H +ATOM 571 HG3 ARG A 36 9.520 -7.413 -19.861 1.00 1.96 H +ATOM 572 HD2 ARG A 36 7.206 -6.617 -21.637 1.00 2.56 H +ATOM 573 HD3 ARG A 36 8.059 -8.148 -21.823 1.00 2.57 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 3.18 H +ATOM 575 HH11 ARG A 36 8.773 -9.650 -20.131 1.00 3.68 H +ATOM 576 HH12 ARG A 36 8.959 -9.837 -18.419 1.00 4.16 H +ATOM 577 HH21 ARG A 36 6.506 -7.516 -17.631 1.00 3.74 H +ATOM 578 HH22 ARG A 36 7.675 -8.628 -17.003 1.00 4.16 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 1.64 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 1.75 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 1.91 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 2.05 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 1.69 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 2.11 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 2.66 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 2.38 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 1.52 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 1.80 H +ATOM 589 HB2 LEU A 37 4.833 -2.685 -21.344 1.00 1.91 H +ATOM 590 HB3 LEU A 37 4.580 -1.987 -22.944 1.00 1.94 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 2.63 H +ATOM 592 HD11 LEU A 37 2.557 -2.551 -21.346 1.00 2.82 H +ATOM 593 HD12 LEU A 37 1.525 -3.666 -22.241 1.00 3.15 H +ATOM 594 HD13 LEU A 37 2.474 -4.248 -20.873 1.00 3.10 H +ATOM 595 HD21 LEU A 37 3.385 -2.769 -24.471 1.00 2.77 H +ATOM 596 HD22 LEU A 37 3.647 -4.497 -24.707 1.00 2.87 H +ATOM 597 HD23 LEU A 37 2.081 -3.911 -24.147 1.00 2.45 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 1.90 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 2.06 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 2.14 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 2.20 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 2.05 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 1.98 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 2.03 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 2.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 1.79 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 2.15 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 2.14 H +ATOM 609 HG12 ILE A 38 7.496 0.763 -21.853 1.00 2.00 H +ATOM 610 HG13 ILE A 38 8.980 -0.053 -22.340 1.00 2.02 H +ATOM 611 HG21 ILE A 38 6.040 1.194 -24.978 1.00 2.39 H +ATOM 612 HG22 ILE A 38 5.890 1.051 -23.227 1.00 2.15 H +ATOM 613 HG23 ILE A 38 6.553 2.522 -23.938 1.00 2.23 H +ATOM 614 HD11 ILE A 38 9.566 2.483 -23.100 1.00 2.36 H +ATOM 615 HD12 ILE A 38 8.511 2.809 -21.723 1.00 2.19 H +ATOM 616 HD13 ILE A 38 9.966 1.835 -21.509 1.00 2.20 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 2.35 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 2.45 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 2.85 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 3.21 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 2.30 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 2.60 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 2.94 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 3.56 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 3.91 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 2.55 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 2.58 H +ATOM 628 HB2 LYS A 39 11.275 -2.020 -23.017 1.00 2.10 H +ATOM 629 HB3 LYS A 39 12.152 -2.813 -24.327 1.00 2.50 H +ATOM 630 HG2 LYS A 39 13.918 -2.539 -22.887 1.00 2.77 H +ATOM 631 HG3 LYS A 39 13.980 -0.952 -23.654 1.00 3.02 H +ATOM 632 HD2 LYS A 39 12.042 -0.791 -21.583 1.00 3.26 H +ATOM 633 HD3 LYS A 39 13.464 -1.583 -20.900 1.00 3.12 H +ATOM 634 HE2 LYS A 39 14.020 0.753 -22.635 1.00 3.96 H +ATOM 635 HE3 LYS A 39 13.214 1.114 -21.109 1.00 3.92 H +ATOM 636 HZ1 LYS A 39 15.127 -0.677 -20.410 1.00 4.13 H +ATOM 637 HZ2 LYS A 39 15.907 0.253 -21.594 1.00 4.14 H +ATOM 638 HZ3 LYS A 39 15.239 1.008 -20.226 1.00 4.20 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 3.09 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 3.63 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 4.10 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 4.56 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 3.99 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 4.58 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 5.25 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 6.09 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 6.53 N +ATOM 648 OXT LYS A 40 12.929 0.132 -28.372 1.00 4.44 O +ATOM 649 H LYS A 40 13.719 -1.795 -25.860 1.00 3.09 H +ATOM 650 HA LYS A 40 14.134 -2.672 -28.002 1.00 3.93 H +ATOM 651 HB2 LYS A 40 11.829 -3.770 -27.438 1.00 4.02 H +ATOM 652 HB3 LYS A 40 11.182 -2.586 -28.575 1.00 4.35 H +ATOM 653 HG2 LYS A 40 13.343 -3.542 -29.961 1.00 5.09 H +ATOM 654 HG3 LYS A 40 12.820 -4.984 -29.090 1.00 4.47 H +ATOM 655 HD2 LYS A 40 10.689 -4.962 -30.080 1.00 5.25 H +ATOM 656 HD3 LYS A 40 10.815 -3.263 -30.534 1.00 5.52 H +ATOM 657 HE2 LYS A 40 11.085 -4.746 -32.500 1.00 6.55 H +ATOM 658 HE3 LYS A 40 12.549 -3.814 -32.186 1.00 6.28 H +ATOM 659 HZ1 LYS A 40 13.158 -5.879 -30.755 1.00 6.71 H +ATOM 660 HZ2 LYS A 40 12.038 -6.673 -31.756 1.00 6.79 H +ATOM 661 HZ3 LYS A 40 13.392 -5.912 -32.438 1.00 6.75 H +ATOM 662 N VAL A 41 -9.556 1.761 2.979 1.00 19.64 N +ATOM 663 CA VAL A 41 -8.757 2.687 3.831 1.00 19.45 C +ATOM 664 C VAL A 41 -9.562 3.056 5.079 1.00 18.79 C +ATOM 665 O VAL A 41 -9.844 4.211 5.328 1.00 19.02 O +ATOM 666 CB VAL A 41 -8.433 3.956 3.040 1.00 19.77 C +ATOM 667 CG1 VAL A 41 -9.726 4.722 2.754 1.00 20.22 C +ATOM 668 CG2 VAL A 41 -7.490 4.839 3.859 1.00 19.99 C +ATOM 669 H1 VAL A 41 -10.475 1.580 3.430 1.00 19.83 H +ATOM 670 H2 VAL A 41 -9.706 2.196 2.045 1.00 19.55 H +ATOM 671 H3 VAL A 41 -9.044 0.864 2.866 1.00 19.78 H +ATOM 672 HA VAL A 41 -7.838 2.202 4.125 1.00 19.68 H +ATOM 673 HB VAL A 41 -7.961 3.688 2.106 1.00 19.65 H +ATOM 674 HG11 VAL A 41 -10.572 4.067 2.898 1.00 20.58 H +ATOM 675 HG12 VAL A 41 -9.803 5.562 3.430 1.00 20.10 H +ATOM 676 HG13 VAL A 41 -9.716 5.079 1.736 1.00 20.40 H +ATOM 677 HG21 VAL A 41 -6.684 4.237 4.253 1.00 20.15 H +ATOM 678 HG22 VAL A 41 -7.083 5.615 3.227 1.00 19.89 H +ATOM 679 HG23 VAL A 41 -8.035 5.289 4.676 1.00 20.21 H +ATOM 680 N GLN A 42 -9.935 2.083 5.867 1.00 18.10 N +ATOM 681 CA GLN A 42 -10.721 2.382 7.098 1.00 17.56 C +ATOM 682 C GLN A 42 -9.862 3.206 8.060 1.00 16.86 C +ATOM 683 O GLN A 42 -8.662 3.035 8.136 1.00 16.59 O +ATOM 684 CB GLN A 42 -11.134 1.072 7.776 1.00 17.30 C +ATOM 685 CG GLN A 42 -12.210 0.370 6.942 1.00 17.01 C +ATOM 686 CD GLN A 42 -13.301 1.373 6.561 1.00 16.75 C +ATOM 687 OE1 GLN A 42 -13.464 1.699 5.402 1.00 17.03 O +ATOM 688 NE2 GLN A 42 -14.060 1.879 7.494 1.00 16.36 N +ATOM 689 H GLN A 42 -9.698 1.158 5.649 1.00 18.01 H +ATOM 690 HA GLN A 42 -11.603 2.946 6.833 1.00 18.00 H +ATOM 691 HB2 GLN A 42 -10.271 0.427 7.866 1.00 17.10 H +ATOM 692 HB3 GLN A 42 -11.526 1.286 8.759 1.00 17.65 H +ATOM 693 HG2 GLN A 42 -11.764 -0.037 6.046 1.00 17.14 H +ATOM 694 HG3 GLN A 42 -12.647 -0.430 7.522 1.00 17.03 H +ATOM 695 HE21 GLN A 42 -13.929 1.616 8.430 1.00 16.23 H +ATOM 696 HE22 GLN A 42 -14.761 2.522 7.260 1.00 16.27 H +ATOM 697 N LEU A 43 -10.469 4.098 8.796 1.00 16.69 N +ATOM 698 CA LEU A 43 -9.684 4.931 9.750 1.00 16.15 C +ATOM 699 C LEU A 43 -10.445 5.052 11.072 1.00 15.61 C +ATOM 700 O LEU A 43 -10.058 5.790 11.957 1.00 15.57 O +ATOM 701 CB LEU A 43 -9.476 6.326 9.157 1.00 16.73 C +ATOM 702 CG LEU A 43 -8.056 6.803 9.461 1.00 16.88 C +ATOM 703 CD1 LEU A 43 -7.046 5.828 8.853 1.00 17.47 C +ATOM 704 CD2 LEU A 43 -7.847 8.194 8.856 1.00 17.27 C +ATOM 705 H LEU A 43 -11.437 4.222 8.719 1.00 17.00 H +ATOM 706 HA LEU A 43 -8.725 4.469 9.928 1.00 15.90 H +ATOM 707 HB2 LEU A 43 -9.623 6.286 8.086 1.00 17.22 H +ATOM 708 HB3 LEU A 43 -10.186 7.011 9.593 1.00 16.67 H +ATOM 709 HG LEU A 43 -7.914 6.850 10.531 1.00 16.46 H +ATOM 710 HD11 LEU A 43 -7.524 5.256 8.071 1.00 17.89 H +ATOM 711 HD12 LEU A 43 -6.216 6.381 8.439 1.00 17.56 H +ATOM 712 HD13 LEU A 43 -6.685 5.159 9.621 1.00 17.50 H +ATOM 713 HD21 LEU A 43 -8.800 8.694 8.766 1.00 17.31 H +ATOM 714 HD22 LEU A 43 -7.196 8.771 9.497 1.00 17.40 H +ATOM 715 HD23 LEU A 43 -7.398 8.098 7.879 1.00 17.53 H +ATOM 716 N ALA A 44 -11.527 4.337 11.216 1.00 15.34 N +ATOM 717 CA ALA A 44 -12.308 4.416 12.482 1.00 14.99 C +ATOM 718 C ALA A 44 -11.642 3.545 13.550 1.00 14.10 C +ATOM 719 O ALA A 44 -11.954 3.635 14.721 1.00 13.96 O +ATOM 720 CB ALA A 44 -13.735 3.922 12.236 1.00 15.58 C +ATOM 721 H ALA A 44 -11.827 3.748 10.492 1.00 15.48 H +ATOM 722 HA ALA A 44 -12.336 5.442 12.821 1.00 15.10 H +ATOM 723 HB1 ALA A 44 -13.733 3.211 11.423 1.00 15.78 H +ATOM 724 HB2 ALA A 44 -14.110 3.446 13.130 1.00 15.78 H +ATOM 725 HB3 ALA A 44 -14.367 4.760 11.980 1.00 15.73 H +ATOM 726 N HIS A 45 -10.727 2.702 13.153 1.00 13.65 N +ATOM 727 CA HIS A 45 -10.036 1.822 14.142 1.00 12.91 C +ATOM 728 C HIS A 45 -10.950 0.654 14.518 1.00 12.30 C +ATOM 729 O HIS A 45 -11.987 0.834 15.124 1.00 12.38 O +ATOM 730 CB HIS A 45 -9.698 2.629 15.397 1.00 12.96 C +ATOM 731 CG HIS A 45 -8.322 2.256 15.881 1.00 13.34 C +ATOM 732 ND1 HIS A 45 -7.174 2.830 15.357 1.00 13.54 N +ATOM 733 CD2 HIS A 45 -7.895 1.371 16.839 1.00 13.74 C +ATOM 734 CE1 HIS A 45 -6.122 2.289 15.999 1.00 14.03 C +ATOM 735 NE2 HIS A 45 -6.505 1.393 16.911 1.00 14.18 N +ATOM 736 H HIS A 45 -10.492 2.647 12.204 1.00 13.88 H +ATOM 737 HA HIS A 45 -9.125 1.439 13.705 1.00 12.98 H +ATOM 738 HB2 HIS A 45 -9.724 3.684 15.165 1.00 13.11 H +ATOM 739 HB3 HIS A 45 -10.420 2.412 16.169 1.00 12.79 H +ATOM 740 HD1 HIS A 45 -7.135 3.507 14.650 1.00 13.46 H +ATOM 741 HD2 HIS A 45 -8.540 0.752 17.445 1.00 13.85 H +ATOM 742 HE1 HIS A 45 -5.092 2.550 15.801 1.00 14.39 H +ATOM 743 N HIS A 46 -10.570 -0.545 14.165 1.00 11.87 N +ATOM 744 CA HIS A 46 -11.415 -1.725 14.503 1.00 11.46 C +ATOM 745 C HIS A 46 -10.910 -2.949 13.737 1.00 10.55 C +ATOM 746 O HIS A 46 -11.682 -3.766 13.277 1.00 10.53 O +ATOM 747 CB HIS A 46 -12.867 -1.445 14.115 1.00 11.84 C +ATOM 748 CG HIS A 46 -13.682 -1.211 15.357 1.00 12.35 C +ATOM 749 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 12.68 N +ATOM 750 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 12.80 C +ATOM 751 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 13.29 C +ATOM 752 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 13.39 N +ATOM 753 H HIS A 46 -9.729 -0.668 13.678 1.00 11.95 H +ATOM 754 HA HIS A 46 -11.356 -1.917 15.565 1.00 11.76 H +ATOM 755 HB2 HIS A 46 -12.908 -0.568 13.486 1.00 11.94 H +ATOM 756 HB3 HIS A 46 -13.266 -2.293 13.578 1.00 11.86 H +ATOM 757 HD1 HIS A 46 -14.478 0.705 14.933 1.00 12.63 H +ATOM 758 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 12.83 H +ATOM 759 HE1 HIS A 46 -15.662 0.609 17.169 1.00 13.77 H +ATOM 760 N PHE A 47 -9.619 -3.081 13.594 1.00 10.00 N +ATOM 761 CA PHE A 47 -9.068 -4.252 12.856 1.00 9.29 C +ATOM 762 C PHE A 47 -7.788 -4.732 13.542 1.00 8.27 C +ATOM 763 O PHE A 47 -7.818 -5.593 14.400 1.00 8.29 O +ATOM 764 CB PHE A 47 -8.753 -3.843 11.416 1.00 9.52 C +ATOM 765 CG PHE A 47 -9.856 -4.323 10.503 1.00 10.43 C +ATOM 766 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 10.86 C +ATOM 767 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 11.07 C +ATOM 768 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 11.86 C +ATOM 769 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 12.06 C +ATOM 770 CZ PHE A 47 -11.898 -5.214 8.807 1.00 12.43 C +ATOM 771 H PHE A 47 -9.013 -2.410 13.972 1.00 10.20 H +ATOM 772 HA PHE A 47 -9.796 -5.050 12.852 1.00 9.58 H +ATOM 773 HB2 PHE A 47 -8.680 -2.766 11.356 1.00 9.36 H +ATOM 774 HB3 PHE A 47 -7.817 -4.285 11.112 1.00 9.45 H +ATOM 775 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 10.55 H +ATOM 776 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 10.94 H +ATOM 777 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 12.32 H +ATOM 778 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 12.65 H +ATOM 779 HZ PHE A 47 -12.687 -5.558 8.153 1.00 13.28 H +ATOM 780 N SER A 48 -6.663 -4.183 13.173 1.00 7.61 N +ATOM 781 CA SER A 48 -5.384 -4.610 13.806 1.00 6.80 C +ATOM 782 C SER A 48 -5.133 -3.774 15.062 1.00 5.60 C +ATOM 783 O SER A 48 -4.778 -2.614 14.987 1.00 5.39 O +ATOM 784 CB SER A 48 -4.235 -4.407 12.817 1.00 7.36 C +ATOM 785 OG SER A 48 -4.383 -5.315 11.733 1.00 8.12 O +ATOM 786 H SER A 48 -6.660 -3.492 12.479 1.00 7.83 H +ATOM 787 HA SER A 48 -5.446 -5.654 14.075 1.00 6.96 H +ATOM 788 HB2 SER A 48 -4.258 -3.399 12.441 1.00 7.45 H +ATOM 789 HB3 SER A 48 -3.293 -4.580 13.321 1.00 7.39 H +ATOM 790 HG SER A 48 -4.490 -6.197 12.098 1.00 8.23 H +ATOM 791 N GLU A 49 -5.314 -4.354 16.217 1.00 5.12 N +ATOM 792 CA GLU A 49 -5.088 -3.594 17.478 1.00 4.22 C +ATOM 793 C GLU A 49 -3.595 -3.284 17.641 1.00 3.04 C +ATOM 794 O GLU A 49 -3.221 -2.140 17.803 1.00 3.18 O +ATOM 795 CB GLU A 49 -5.573 -4.425 18.668 1.00 4.88 C +ATOM 796 CG GLU A 49 -6.895 -3.852 19.184 1.00 5.77 C +ATOM 797 CD GLU A 49 -8.064 -4.586 18.523 1.00 6.71 C +ATOM 798 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 7.29 O +ATOM 799 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 7.09 O +ATOM 800 H GLU A 49 -5.601 -5.290 16.254 1.00 5.60 H +ATOM 801 HA GLU A 49 -5.641 -2.668 17.439 1.00 4.31 H +ATOM 802 HB2 GLU A 49 -5.720 -5.449 18.357 1.00 5.35 H +ATOM 803 HB3 GLU A 49 -4.836 -4.389 19.456 1.00 4.66 H +ATOM 804 HG2 GLU A 49 -6.949 -3.979 20.256 1.00 5.92 H +ATOM 805 HG3 GLU A 49 -6.952 -2.800 18.943 1.00 5.90 H +ATOM 806 N PRO A 50 -2.783 -4.313 17.599 1.00 2.28 N +ATOM 807 CA PRO A 50 -1.323 -4.162 17.748 1.00 1.48 C +ATOM 808 C PRO A 50 -0.760 -3.261 16.643 1.00 1.33 C +ATOM 809 O PRO A 50 -1.346 -3.116 15.586 1.00 1.29 O +ATOM 810 CB PRO A 50 -0.764 -5.586 17.621 1.00 2.00 C +ATOM 811 CG PRO A 50 -1.965 -6.548 17.434 1.00 2.71 C +ATOM 812 CD PRO A 50 -3.246 -5.699 17.403 1.00 2.87 C +ATOM 813 HA PRO A 50 -1.083 -3.761 18.719 1.00 1.64 H +ATOM 814 HB2 PRO A 50 -0.106 -5.646 16.764 1.00 2.42 H +ATOM 815 HB3 PRO A 50 -0.226 -5.851 18.518 1.00 2.16 H +ATOM 816 HG2 PRO A 50 -1.859 -7.089 16.504 1.00 3.49 H +ATOM 817 HG3 PRO A 50 -2.010 -7.242 18.259 1.00 2.78 H +ATOM 818 HD2 PRO A 50 -3.736 -5.806 16.447 1.00 3.66 H +ATOM 819 HD3 PRO A 50 -3.908 -5.988 18.204 1.00 3.03 H +ATOM 820 N GLU A 51 0.373 -2.658 16.879 1.00 1.30 N +ATOM 821 CA GLU A 51 0.975 -1.767 15.848 1.00 1.19 C +ATOM 822 C GLU A 51 1.393 -2.592 14.630 1.00 1.06 C +ATOM 823 O GLU A 51 0.764 -2.542 13.592 1.00 1.01 O +ATOM 824 CB GLU A 51 2.206 -1.070 16.431 1.00 1.29 C +ATOM 825 CG GLU A 51 1.789 -0.203 17.619 1.00 1.90 C +ATOM 826 CD GLU A 51 2.683 -0.519 18.818 1.00 2.25 C +ATOM 827 OE1 GLU A 51 2.686 -1.662 19.244 1.00 2.89 O +ATOM 828 OE2 GLU A 51 3.350 0.387 19.291 1.00 2.52 O +ATOM 829 H GLU A 51 0.827 -2.791 17.737 1.00 1.39 H +ATOM 830 HA GLU A 51 0.252 -1.024 15.547 1.00 1.17 H +ATOM 831 HB2 GLU A 51 2.917 -1.814 16.760 1.00 1.78 H +ATOM 832 HB3 GLU A 51 2.660 -0.448 15.674 1.00 1.39 H +ATOM 833 HG2 GLU A 51 1.893 0.841 17.355 1.00 2.21 H +ATOM 834 HG3 GLU A 51 0.761 -0.409 17.874 1.00 2.64 H +ATOM 835 N ILE A 52 2.456 -3.346 14.747 1.00 1.07 N +ATOM 836 CA ILE A 52 2.929 -4.170 13.602 1.00 0.98 C +ATOM 837 C ILE A 52 1.736 -4.780 12.861 1.00 0.89 C +ATOM 838 O ILE A 52 1.701 -4.817 11.647 1.00 0.82 O +ATOM 839 CB ILE A 52 3.841 -5.282 14.128 1.00 1.09 C +ATOM 840 CG1 ILE A 52 4.696 -5.806 12.981 1.00 1.29 C +ATOM 841 CG2 ILE A 52 3.002 -6.426 14.707 1.00 1.27 C +ATOM 842 CD1 ILE A 52 6.170 -5.541 13.287 1.00 2.11 C +ATOM 843 H ILE A 52 2.949 -3.364 15.591 1.00 1.17 H +ATOM 844 HA ILE A 52 3.489 -3.545 12.922 1.00 0.94 H +ATOM 845 HB ILE A 52 4.484 -4.886 14.901 1.00 1.22 H +ATOM 846 HG12 ILE A 52 4.533 -6.867 12.866 1.00 1.49 H +ATOM 847 HG13 ILE A 52 4.420 -5.295 12.071 1.00 1.36 H +ATOM 848 HG21 ILE A 52 2.268 -6.025 15.388 1.00 1.79 H +ATOM 849 HG22 ILE A 52 2.502 -6.947 13.903 1.00 1.73 H +ATOM 850 HG23 ILE A 52 3.646 -7.114 15.234 1.00 1.50 H +ATOM 851 HD11 ILE A 52 6.254 -4.654 13.897 1.00 2.58 H +ATOM 852 HD12 ILE A 52 6.584 -6.385 13.818 1.00 2.56 H +ATOM 853 HD13 ILE A 52 6.709 -5.395 12.363 1.00 2.50 H +ATOM 854 N THR A 53 0.758 -5.255 13.581 1.00 0.92 N +ATOM 855 CA THR A 53 -0.431 -5.857 12.915 1.00 0.87 C +ATOM 856 C THR A 53 -1.121 -4.799 12.050 1.00 0.77 C +ATOM 857 O THR A 53 -1.476 -5.047 10.914 1.00 0.69 O +ATOM 858 CB THR A 53 -1.408 -6.385 13.972 1.00 0.99 C +ATOM 859 OG1 THR A 53 -1.442 -5.496 15.082 1.00 1.57 O +ATOM 860 CG2 THR A 53 -0.954 -7.768 14.440 1.00 1.43 C +ATOM 861 H THR A 53 0.804 -5.213 14.558 1.00 1.01 H +ATOM 862 HA THR A 53 -0.109 -6.675 12.287 1.00 0.85 H +ATOM 863 HB THR A 53 -2.394 -6.462 13.543 1.00 1.38 H +ATOM 864 HG1 THR A 53 -0.975 -4.697 14.839 1.00 1.99 H +ATOM 865 HG21 THR A 53 -0.301 -8.202 13.699 1.00 1.95 H +ATOM 866 HG22 THR A 53 -0.424 -7.675 15.377 1.00 1.96 H +ATOM 867 HG23 THR A 53 -1.816 -8.402 14.577 1.00 1.85 H +ATOM 868 N LEU A 54 -1.329 -3.623 12.576 1.00 0.81 N +ATOM 869 CA LEU A 54 -2.006 -2.571 11.766 1.00 0.74 C +ATOM 870 C LEU A 54 -1.043 -2.026 10.710 1.00 0.62 C +ATOM 871 O LEU A 54 -1.398 -1.894 9.558 1.00 0.52 O +ATOM 872 CB LEU A 54 -2.459 -1.422 12.674 1.00 0.87 C +ATOM 873 CG LEU A 54 -3.787 -0.853 12.165 1.00 1.11 C +ATOM 874 CD1 LEU A 54 -4.040 0.507 12.818 1.00 1.02 C +ATOM 875 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 1.63 C +ATOM 876 H LEU A 54 -1.047 -3.435 13.496 1.00 0.89 H +ATOM 877 HA LEU A 54 -2.866 -2.997 11.271 1.00 0.73 H +ATOM 878 HB2 LEU A 54 -2.591 -1.789 13.681 1.00 1.12 H +ATOM 879 HB3 LEU A 54 -1.712 -0.644 12.669 1.00 1.06 H +ATOM 880 HG LEU A 54 -4.590 -1.529 12.422 1.00 1.49 H +ATOM 881 HD11 LEU A 54 -3.240 0.729 13.508 1.00 1.17 H +ATOM 882 HD12 LEU A 54 -4.079 1.271 12.055 1.00 1.50 H +ATOM 883 HD13 LEU A 54 -4.979 0.481 13.351 1.00 1.52 H +ATOM 884 HD21 LEU A 54 -2.822 -0.159 10.375 1.00 2.19 H +ATOM 885 HD22 LEU A 54 -3.743 -1.650 10.171 1.00 1.88 H +ATOM 886 HD23 LEU A 54 -4.584 -0.106 10.315 1.00 2.07 H +ATOM 887 N ILE A 55 0.167 -1.697 11.078 1.00 0.66 N +ATOM 888 CA ILE A 55 1.107 -1.158 10.055 1.00 0.59 C +ATOM 889 C ILE A 55 1.260 -2.171 8.918 1.00 0.48 C +ATOM 890 O ILE A 55 1.135 -1.833 7.757 1.00 0.39 O +ATOM 891 CB ILE A 55 2.472 -0.900 10.695 1.00 0.70 C +ATOM 892 CG1 ILE A 55 2.311 0.071 11.868 1.00 0.89 C +ATOM 893 CG2 ILE A 55 3.414 -0.291 9.654 1.00 0.73 C +ATOM 894 CD1 ILE A 55 3.576 0.043 12.728 1.00 1.02 C +ATOM 895 H ILE A 55 0.451 -1.799 12.011 1.00 0.76 H +ATOM 896 HA ILE A 55 0.714 -0.232 9.661 1.00 0.57 H +ATOM 897 HB ILE A 55 2.886 -1.832 11.051 1.00 0.70 H +ATOM 898 HG12 ILE A 55 2.154 1.070 11.489 1.00 0.95 H +ATOM 899 HG13 ILE A 55 1.464 -0.227 12.467 1.00 0.95 H +ATOM 900 HG21 ILE A 55 3.450 -0.930 8.784 1.00 1.16 H +ATOM 901 HG22 ILE A 55 3.053 0.686 9.369 1.00 1.26 H +ATOM 902 HG23 ILE A 55 4.404 -0.200 10.075 1.00 1.34 H +ATOM 903 HD11 ILE A 55 4.369 -0.453 12.188 1.00 1.45 H +ATOM 904 HD12 ILE A 55 3.876 1.055 12.960 1.00 1.40 H +ATOM 905 HD13 ILE A 55 3.377 -0.492 13.646 1.00 1.51 H +ATOM 906 N ILE A 56 1.500 -3.417 9.237 1.00 0.51 N +ATOM 907 CA ILE A 56 1.622 -4.438 8.159 1.00 0.45 C +ATOM 908 C ILE A 56 0.327 -4.451 7.349 1.00 0.35 C +ATOM 909 O ILE A 56 0.335 -4.430 6.132 1.00 0.30 O +ATOM 910 CB ILE A 56 1.892 -5.820 8.767 1.00 0.52 C +ATOM 911 CG1 ILE A 56 2.302 -6.791 7.658 1.00 1.19 C +ATOM 912 CG2 ILE A 56 0.637 -6.344 9.462 1.00 1.41 C +ATOM 913 CD1 ILE A 56 3.696 -7.344 7.956 1.00 1.86 C +ATOM 914 H ILE A 56 1.577 -3.680 10.179 1.00 0.59 H +ATOM 915 HA ILE A 56 2.443 -4.168 7.509 1.00 0.46 H +ATOM 916 HB ILE A 56 2.690 -5.741 9.488 1.00 1.05 H +ATOM 917 HG12 ILE A 56 1.592 -7.604 7.612 1.00 1.77 H +ATOM 918 HG13 ILE A 56 2.317 -6.271 6.712 1.00 1.90 H +ATOM 919 HG21 ILE A 56 -0.167 -6.424 8.747 1.00 1.89 H +ATOM 920 HG22 ILE A 56 0.841 -7.317 9.884 1.00 1.87 H +ATOM 921 HG23 ILE A 56 0.356 -5.665 10.249 1.00 2.07 H +ATOM 922 HD11 ILE A 56 4.167 -6.743 8.719 1.00 2.48 H +ATOM 923 HD12 ILE A 56 3.612 -8.364 8.302 1.00 2.31 H +ATOM 924 HD13 ILE A 56 4.294 -7.317 7.057 1.00 2.21 H +ATOM 925 N PHE A 57 -0.790 -4.478 8.027 1.00 0.37 N +ATOM 926 CA PHE A 57 -2.104 -4.486 7.319 1.00 0.34 C +ATOM 927 C PHE A 57 -2.201 -3.262 6.412 1.00 0.29 C +ATOM 928 O PHE A 57 -2.590 -3.358 5.265 1.00 0.27 O +ATOM 929 CB PHE A 57 -3.253 -4.459 8.333 1.00 0.44 C +ATOM 930 CG PHE A 57 -3.822 -5.851 8.480 1.00 1.05 C +ATOM 931 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 1.80 C +ATOM 932 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 1.97 C +ATOM 933 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 2.57 C +ATOM 934 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 2.71 C +ATOM 935 CZ PHE A 57 -4.876 -8.431 8.751 1.00 2.81 C +ATOM 936 H PHE A 57 -0.761 -4.493 9.007 1.00 0.43 H +ATOM 937 HA PHE A 57 -2.178 -5.382 6.718 1.00 0.34 H +ATOM 938 HB2 PHE A 57 -2.889 -4.114 9.290 1.00 0.94 H +ATOM 939 HB3 PHE A 57 -4.026 -3.792 7.982 1.00 0.81 H +ATOM 940 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 2.26 H +ATOM 941 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 2.49 H +ATOM 942 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 3.32 H +ATOM 943 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 3.52 H +ATOM 944 HZ PHE A 57 -5.282 -9.426 8.854 1.00 3.51 H +ATOM 945 N GLY A 58 -1.860 -2.109 6.916 1.00 0.30 N +ATOM 946 CA GLY A 58 -1.944 -0.879 6.079 1.00 0.28 C +ATOM 947 C GLY A 58 -1.104 -1.069 4.816 1.00 0.22 C +ATOM 948 O GLY A 58 -1.550 -0.791 3.722 1.00 0.23 O +ATOM 949 H GLY A 58 -1.556 -2.049 7.847 1.00 0.34 H +ATOM 950 HA2 GLY A 58 -2.975 -0.700 5.804 1.00 0.31 H +ATOM 951 HA3 GLY A 58 -1.567 -0.035 6.637 1.00 0.31 H +ATOM 952 N VAL A 59 0.103 -1.549 4.949 1.00 0.22 N +ATOM 953 CA VAL A 59 0.941 -1.756 3.736 1.00 0.23 C +ATOM 954 C VAL A 59 0.193 -2.684 2.776 1.00 0.22 C +ATOM 955 O VAL A 59 0.058 -2.403 1.600 1.00 0.23 O +ATOM 956 CB VAL A 59 2.272 -2.387 4.143 1.00 0.27 C +ATOM 957 CG1 VAL A 59 3.116 -2.655 2.896 1.00 0.33 C +ATOM 958 CG2 VAL A 59 3.021 -1.426 5.071 1.00 0.30 C +ATOM 959 H VAL A 59 0.451 -1.777 5.837 1.00 0.24 H +ATOM 960 HA VAL A 59 1.124 -0.809 3.253 1.00 0.25 H +ATOM 961 HB VAL A 59 2.086 -3.319 4.659 1.00 0.30 H +ATOM 962 HG11 VAL A 59 2.468 -2.738 2.035 1.00 0.98 H +ATOM 963 HG12 VAL A 59 3.809 -1.839 2.748 1.00 1.10 H +ATOM 964 HG13 VAL A 59 3.665 -3.576 3.024 1.00 1.05 H +ATOM 965 HG21 VAL A 59 2.314 -0.762 5.549 1.00 0.93 H +ATOM 966 HG22 VAL A 59 3.550 -1.991 5.825 1.00 1.14 H +ATOM 967 HG23 VAL A 59 3.726 -0.845 4.496 1.00 1.08 H +ATOM 968 N MET A 60 -0.323 -3.774 3.276 1.00 0.22 N +ATOM 969 CA MET A 60 -1.094 -4.700 2.401 1.00 0.23 C +ATOM 970 C MET A 60 -2.254 -3.926 1.773 1.00 0.24 C +ATOM 971 O MET A 60 -2.497 -3.992 0.583 1.00 0.25 O +ATOM 972 CB MET A 60 -1.641 -5.858 3.238 1.00 0.26 C +ATOM 973 CG MET A 60 -0.478 -6.620 3.877 1.00 0.32 C +ATOM 974 SD MET A 60 -1.054 -8.243 4.436 1.00 1.15 S +ATOM 975 CE MET A 60 -2.280 -7.654 5.630 1.00 1.83 C +ATOM 976 H MET A 60 -0.224 -3.971 4.232 1.00 0.22 H +ATOM 977 HA MET A 60 -0.450 -5.085 1.623 1.00 0.25 H +ATOM 978 HB2 MET A 60 -2.287 -5.468 4.012 1.00 0.29 H +ATOM 979 HB3 MET A 60 -2.203 -6.527 2.604 1.00 0.30 H +ATOM 980 HG2 MET A 60 0.310 -6.750 3.151 1.00 0.69 H +ATOM 981 HG3 MET A 60 -0.103 -6.061 4.721 1.00 0.71 H +ATOM 982 HE1 MET A 60 -2.890 -6.888 5.171 1.00 2.42 H +ATOM 983 HE2 MET A 60 -2.909 -8.473 5.937 1.00 2.17 H +ATOM 984 HE3 MET A 60 -1.773 -7.247 6.495 1.00 2.39 H +ATOM 985 N ALA A 61 -2.967 -3.187 2.580 1.00 0.25 N +ATOM 986 CA ALA A 61 -4.115 -2.391 2.068 1.00 0.27 C +ATOM 987 C ALA A 61 -3.638 -1.441 0.964 1.00 0.26 C +ATOM 988 O ALA A 61 -4.262 -1.329 -0.073 1.00 0.27 O +ATOM 989 CB ALA A 61 -4.761 -1.600 3.215 1.00 0.31 C +ATOM 990 H ALA A 61 -2.741 -3.154 3.532 1.00 0.25 H +ATOM 991 HA ALA A 61 -4.850 -3.067 1.652 1.00 0.29 H +ATOM 992 HB1 ALA A 61 -4.117 -1.623 4.082 1.00 1.02 H +ATOM 993 HB2 ALA A 61 -4.922 -0.576 2.909 1.00 1.10 H +ATOM 994 HB3 ALA A 61 -5.711 -2.049 3.467 1.00 1.06 H +ATOM 995 N GLY A 62 -2.547 -0.744 1.170 1.00 0.25 N +ATOM 996 CA GLY A 62 -2.071 0.195 0.118 1.00 0.26 C +ATOM 997 C GLY A 62 -1.867 -0.571 -1.186 1.00 0.24 C +ATOM 998 O GLY A 62 -2.311 -0.149 -2.235 1.00 0.24 O +ATOM 999 H GLY A 62 -2.048 -0.834 2.007 1.00 0.25 H +ATOM 1000 HA2 GLY A 62 -2.807 0.974 -0.029 1.00 0.29 H +ATOM 1001 HA3 GLY A 62 -1.135 0.635 0.424 1.00 0.27 H +ATOM 1002 N VAL A 63 -1.212 -1.699 -1.139 1.00 0.22 N +ATOM 1003 CA VAL A 63 -1.011 -2.474 -2.397 1.00 0.21 C +ATOM 1004 C VAL A 63 -2.378 -2.781 -3.018 1.00 0.21 C +ATOM 1005 O VAL A 63 -2.596 -2.580 -4.197 1.00 0.21 O +ATOM 1006 CB VAL A 63 -0.285 -3.784 -2.087 1.00 0.23 C +ATOM 1007 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 0.28 C +ATOM 1008 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 0.31 C +ATOM 1009 H VAL A 63 -0.861 -2.036 -0.285 1.00 0.22 H +ATOM 1010 HA VAL A 63 -0.422 -1.889 -3.090 1.00 0.22 H +ATOM 1011 HB VAL A 63 -0.882 -4.373 -1.408 1.00 0.28 H +ATOM 1012 HG11 VAL A 63 -0.997 -4.624 -3.930 1.00 0.98 H +ATOM 1013 HG12 VAL A 63 0.674 -4.062 -3.988 1.00 1.07 H +ATOM 1014 HG13 VAL A 63 0.277 -5.562 -3.150 1.00 1.13 H +ATOM 1015 HG21 VAL A 63 1.555 -2.681 -1.991 1.00 0.96 H +ATOM 1016 HG22 VAL A 63 0.921 -3.172 -0.420 1.00 1.07 H +ATOM 1017 HG23 VAL A 63 1.690 -4.361 -1.472 1.00 1.14 H +ATOM 1018 N ILE A 64 -3.305 -3.257 -2.227 1.00 0.23 N +ATOM 1019 CA ILE A 64 -4.661 -3.568 -2.763 1.00 0.25 C +ATOM 1020 C ILE A 64 -5.271 -2.314 -3.398 1.00 0.26 C +ATOM 1021 O ILE A 64 -5.803 -2.356 -4.489 1.00 0.26 O +ATOM 1022 CB ILE A 64 -5.560 -4.050 -1.624 1.00 0.30 C +ATOM 1023 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 0.32 C +ATOM 1024 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 0.40 C +ATOM 1025 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 1.06 C +ATOM 1026 H ILE A 64 -3.110 -3.409 -1.278 1.00 0.24 H +ATOM 1027 HA ILE A 64 -4.582 -4.345 -3.509 1.00 0.26 H +ATOM 1028 HB ILE A 64 -5.529 -3.335 -0.814 1.00 0.33 H +ATOM 1029 HG12 ILE A 64 -5.463 -6.190 -1.760 1.00 0.77 H +ATOM 1030 HG13 ILE A 64 -3.986 -5.435 -1.159 1.00 0.79 H +ATOM 1031 HG21 ILE A 64 -6.999 -4.697 -3.081 1.00 1.11 H +ATOM 1032 HG22 ILE A 64 -7.579 -4.750 -1.416 1.00 1.08 H +ATOM 1033 HG23 ILE A 64 -7.431 -3.203 -2.249 1.00 1.05 H +ATOM 1034 HD11 ILE A 64 -5.461 -4.704 0.861 1.00 1.59 H +ATOM 1035 HD12 ILE A 64 -6.560 -5.969 0.309 1.00 1.60 H +ATOM 1036 HD13 ILE A 64 -4.911 -6.379 0.781 1.00 1.66 H +ATOM 1037 N GLY A 65 -5.205 -1.198 -2.720 1.00 0.27 N +ATOM 1038 CA GLY A 65 -5.790 0.052 -3.281 1.00 0.30 C +ATOM 1039 C GLY A 65 -5.162 0.350 -4.642 1.00 0.27 C +ATOM 1040 O GLY A 65 -5.849 0.644 -5.600 1.00 0.29 O +ATOM 1041 H GLY A 65 -4.779 -1.184 -1.838 1.00 0.28 H +ATOM 1042 HA2 GLY A 65 -6.857 -0.071 -3.395 1.00 0.33 H +ATOM 1043 HA3 GLY A 65 -5.591 0.874 -2.611 1.00 0.33 H +ATOM 1044 N THR A 66 -3.863 0.275 -4.741 1.00 0.24 N +ATOM 1045 CA THR A 66 -3.207 0.554 -6.048 1.00 0.24 C +ATOM 1046 C THR A 66 -3.780 -0.388 -7.107 1.00 0.24 C +ATOM 1047 O THR A 66 -4.144 0.026 -8.190 1.00 0.28 O +ATOM 1048 CB THR A 66 -1.698 0.331 -5.925 1.00 0.25 C +ATOM 1049 OG1 THR A 66 -1.204 1.052 -4.804 1.00 0.32 O +ATOM 1050 CG2 THR A 66 -1.006 0.823 -7.198 1.00 0.28 C +ATOM 1051 H THR A 66 -3.322 0.034 -3.959 1.00 0.24 H +ATOM 1052 HA THR A 66 -3.399 1.578 -6.336 1.00 0.28 H +ATOM 1053 HB THR A 66 -1.498 -0.721 -5.794 1.00 0.25 H +ATOM 1054 HG1 THR A 66 -1.525 0.620 -4.008 1.00 0.39 H +ATOM 1055 HG21 THR A 66 -1.502 0.405 -8.062 1.00 1.00 H +ATOM 1056 HG22 THR A 66 -1.057 1.901 -7.242 1.00 1.09 H +ATOM 1057 HG23 THR A 66 0.028 0.512 -7.190 1.00 0.99 H +ATOM 1058 N ILE A 67 -3.872 -1.654 -6.801 1.00 0.23 N +ATOM 1059 CA ILE A 67 -4.433 -2.616 -7.791 1.00 0.29 C +ATOM 1060 C ILE A 67 -5.841 -2.165 -8.189 1.00 0.33 C +ATOM 1061 O ILE A 67 -6.184 -2.115 -9.353 1.00 0.40 O +ATOM 1062 CB ILE A 67 -4.498 -4.012 -7.168 1.00 0.33 C +ATOM 1063 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 0.34 C +ATOM 1064 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 0.40 C +ATOM 1065 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 0.41 C +ATOM 1066 H ILE A 67 -3.580 -1.970 -5.920 1.00 0.21 H +ATOM 1067 HA ILE A 67 -3.801 -2.642 -8.667 1.00 0.32 H +ATOM 1068 HB ILE A 67 -4.953 -3.949 -6.190 1.00 0.34 H +ATOM 1069 HG12 ILE A 67 -2.722 -4.870 -8.014 1.00 0.40 H +ATOM 1070 HG13 ILE A 67 -2.429 -3.825 -6.624 1.00 0.34 H +ATOM 1071 HG21 ILE A 67 -5.576 -4.419 -8.978 1.00 1.10 H +ATOM 1072 HG22 ILE A 67 -4.768 -5.824 -8.285 1.00 0.98 H +ATOM 1073 HG23 ILE A 67 -6.244 -5.202 -7.546 1.00 1.06 H +ATOM 1074 HD11 ILE A 67 -3.536 -5.523 -5.165 1.00 1.07 H +ATOM 1075 HD12 ILE A 67 -3.688 -6.582 -6.566 1.00 1.11 H +ATOM 1076 HD13 ILE A 67 -2.090 -6.147 -5.960 1.00 1.14 H +ATOM 1077 N LEU A 68 -6.654 -1.828 -7.225 1.00 0.33 N +ATOM 1078 CA LEU A 68 -8.036 -1.371 -7.533 1.00 0.41 C +ATOM 1079 C LEU A 68 -7.963 -0.162 -8.476 1.00 0.44 C +ATOM 1080 O LEU A 68 -8.666 -0.088 -9.464 1.00 0.51 O +ATOM 1081 CB LEU A 68 -8.758 -1.027 -6.210 1.00 0.44 C +ATOM 1082 CG LEU A 68 -9.339 0.393 -6.232 1.00 0.76 C +ATOM 1083 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 1.14 C +ATOM 1084 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 1.06 C +ATOM 1085 H LEU A 68 -6.353 -1.870 -6.293 1.00 0.30 H +ATOM 1086 HA LEU A 68 -8.568 -2.171 -8.030 1.00 0.46 H +ATOM 1087 HB2 LEU A 68 -9.561 -1.731 -6.053 1.00 0.70 H +ATOM 1088 HB3 LEU A 68 -8.055 -1.108 -5.394 1.00 0.61 H +ATOM 1089 HG LEU A 68 -8.589 1.081 -6.591 1.00 0.84 H +ATOM 1090 HD11 LEU A 68 -11.151 -0.454 -7.012 1.00 1.55 H +ATOM 1091 HD12 LEU A 68 -11.153 1.307 -6.926 1.00 1.54 H +ATOM 1092 HD13 LEU A 68 -10.229 0.487 -8.184 1.00 1.72 H +ATOM 1093 HD21 LEU A 68 -9.616 -0.048 -4.148 1.00 1.51 H +ATOM 1094 HD22 LEU A 68 -9.163 1.625 -4.481 1.00 1.52 H +ATOM 1095 HD23 LEU A 68 -10.804 1.071 -4.816 1.00 1.60 H +ATOM 1096 N LEU A 69 -7.120 0.789 -8.172 1.00 0.40 N +ATOM 1097 CA LEU A 69 -7.008 1.991 -9.048 1.00 0.47 C +ATOM 1098 C LEU A 69 -6.666 1.556 -10.474 1.00 0.51 C +ATOM 1099 O LEU A 69 -7.269 2.002 -11.429 1.00 0.60 O +ATOM 1100 CB LEU A 69 -5.905 2.912 -8.516 1.00 0.47 C +ATOM 1101 CG LEU A 69 -5.953 4.249 -9.259 1.00 1.14 C +ATOM 1102 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 2.02 C +ATOM 1103 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 1.67 C +ATOM 1104 H LEU A 69 -6.563 0.709 -7.368 1.00 0.36 H +ATOM 1105 HA LEU A 69 -7.950 2.524 -9.054 1.00 0.54 H +ATOM 1106 HB2 LEU A 69 -6.056 3.081 -7.460 1.00 0.81 H +ATOM 1107 HB3 LEU A 69 -4.942 2.449 -8.674 1.00 0.89 H +ATOM 1108 HG LEU A 69 -5.755 4.085 -10.309 1.00 1.90 H +ATOM 1109 HD11 LEU A 69 -7.737 4.623 -8.124 1.00 2.49 H +ATOM 1110 HD12 LEU A 69 -7.256 5.952 -9.177 1.00 2.41 H +ATOM 1111 HD13 LEU A 69 -7.996 4.507 -9.864 1.00 2.62 H +ATOM 1112 HD21 LEU A 69 -4.280 4.654 -7.972 1.00 2.08 H +ATOM 1113 HD22 LEU A 69 -4.277 5.573 -9.479 1.00 2.26 H +ATOM 1114 HD23 LEU A 69 -5.383 6.015 -8.179 1.00 2.09 H +ATOM 1115 N ILE A 70 -5.705 0.687 -10.629 1.00 0.47 N +ATOM 1116 CA ILE A 70 -5.336 0.228 -11.998 1.00 0.57 C +ATOM 1117 C ILE A 70 -6.563 -0.366 -12.683 1.00 0.65 C +ATOM 1118 O ILE A 70 -6.864 -0.045 -13.815 1.00 0.77 O +ATOM 1119 CB ILE A 70 -4.238 -0.832 -11.904 1.00 0.55 C +ATOM 1120 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 0.51 C +ATOM 1121 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 0.66 C +ATOM 1122 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 0.54 C +ATOM 1123 H ILE A 70 -5.229 0.334 -9.848 1.00 0.40 H +ATOM 1124 HA ILE A 70 -4.979 1.067 -12.578 1.00 0.62 H +ATOM 1125 HB ILE A 70 -4.577 -1.644 -11.276 1.00 0.53 H +ATOM 1126 HG12 ILE A 70 -2.503 0.425 -12.035 1.00 0.59 H +ATOM 1127 HG13 ILE A 70 -3.247 0.382 -10.436 1.00 0.48 H +ATOM 1128 HG21 ILE A 70 -4.284 -0.669 -14.043 1.00 1.39 H +ATOM 1129 HG22 ILE A 70 -2.853 -1.482 -13.409 1.00 1.07 H +ATOM 1130 HG23 ILE A 70 -4.404 -2.321 -13.439 1.00 1.17 H +ATOM 1131 HD11 ILE A 70 -2.575 -2.193 -10.592 1.00 1.13 H +ATOM 1132 HD12 ILE A 70 -1.360 -1.558 -11.701 1.00 1.23 H +ATOM 1133 HD13 ILE A 70 -1.424 -0.978 -10.035 1.00 1.10 H +ATOM 1134 N SER A 71 -7.284 -1.220 -12.011 1.00 0.63 N +ATOM 1135 CA SER A 71 -8.492 -1.807 -12.649 1.00 0.76 C +ATOM 1136 C SER A 71 -9.414 -0.667 -13.069 1.00 0.83 C +ATOM 1137 O SER A 71 -9.898 -0.620 -14.183 1.00 0.95 O +ATOM 1138 CB SER A 71 -9.215 -2.712 -11.651 1.00 0.74 C +ATOM 1139 OG SER A 71 -8.357 -2.976 -10.549 1.00 1.53 O +ATOM 1140 H SER A 71 -7.036 -1.467 -11.096 1.00 0.55 H +ATOM 1141 HA SER A 71 -8.202 -2.379 -13.519 1.00 0.83 H +ATOM 1142 HB2 SER A 71 -10.107 -2.222 -11.299 1.00 1.04 H +ATOM 1143 HB3 SER A 71 -9.486 -3.640 -12.140 1.00 1.03 H +ATOM 1144 HG SER A 71 -8.902 -3.050 -9.762 1.00 1.76 H +ATOM 1145 N TYR A 72 -9.648 0.266 -12.187 1.00 0.77 N +ATOM 1146 CA TYR A 72 -10.522 1.416 -12.538 1.00 0.87 C +ATOM 1147 C TYR A 72 -9.950 2.131 -13.767 1.00 0.94 C +ATOM 1148 O TYR A 72 -10.658 2.427 -14.708 1.00 1.07 O +ATOM 1149 CB TYR A 72 -10.580 2.390 -11.361 1.00 0.83 C +ATOM 1150 CG TYR A 72 -11.997 2.475 -10.846 1.00 1.09 C +ATOM 1151 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 1.68 C +ATOM 1152 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 1.74 C +ATOM 1153 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 2.03 C +ATOM 1154 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 1.99 C +ATOM 1155 CZ TYR A 72 -14.624 2.637 -9.891 1.00 1.84 C +ATOM 1156 OH TYR A 72 -15.920 2.717 -9.421 1.00 2.25 O +ATOM 1157 H TYR A 72 -9.238 0.213 -11.297 1.00 0.68 H +ATOM 1158 HA TYR A 72 -11.517 1.058 -12.760 1.00 0.96 H +ATOM 1159 HB2 TYR A 72 -9.930 2.038 -10.572 1.00 0.85 H +ATOM 1160 HB3 TYR A 72 -10.256 3.367 -11.685 1.00 0.87 H +ATOM 1161 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 2.29 H +ATOM 1162 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 2.42 H +ATOM 1163 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 2.78 H +ATOM 1164 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 2.69 H +ATOM 1165 HH TYR A 72 -15.906 3.214 -8.599 1.00 2.43 H +ATOM 1166 N GLY A 73 -8.670 2.405 -13.767 1.00 0.88 N +ATOM 1167 CA GLY A 73 -8.058 3.094 -14.938 1.00 0.98 C +ATOM 1168 C GLY A 73 -8.314 2.269 -16.198 1.00 1.10 C +ATOM 1169 O GLY A 73 -8.734 2.784 -17.215 1.00 1.24 O +ATOM 1170 H GLY A 73 -8.113 2.157 -13.001 1.00 0.78 H +ATOM 1171 HA2 GLY A 73 -8.498 4.074 -15.050 1.00 1.05 H +ATOM 1172 HA3 GLY A 73 -6.994 3.190 -14.786 1.00 0.93 H +ATOM 1173 N ILE A 74 -8.073 0.988 -16.135 1.00 1.07 N +ATOM 1174 CA ILE A 74 -8.317 0.133 -17.332 1.00 1.22 C +ATOM 1175 C ILE A 74 -9.781 0.283 -17.758 1.00 1.34 C +ATOM 1176 O ILE A 74 -10.082 0.473 -18.918 1.00 1.50 O +ATOM 1177 CB ILE A 74 -8.007 -1.334 -16.993 1.00 1.20 C +ATOM 1178 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 1.37 C +ATOM 1179 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 1.50 C +ATOM 1180 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 1.81 C +ATOM 1181 H ILE A 74 -7.737 0.590 -15.301 1.00 0.95 H +ATOM 1182 HA ILE A 74 -7.674 0.458 -18.139 1.00 1.29 H +ATOM 1183 HB ILE A 74 -8.338 -1.550 -15.989 1.00 1.42 H +ATOM 1184 HG12 ILE A 74 -6.312 -2.550 -17.507 1.00 1.68 H +ATOM 1185 HG13 ILE A 74 -6.062 -0.820 -17.745 1.00 1.85 H +ATOM 1186 HG21 ILE A 74 -8.746 -1.808 -18.955 1.00 1.93 H +ATOM 1187 HG22 ILE A 74 -8.201 -3.207 -18.030 1.00 1.99 H +ATOM 1188 HG23 ILE A 74 -9.737 -2.434 -17.638 1.00 1.84 H +ATOM 1189 HD11 ILE A 74 -6.547 -1.861 -14.973 1.00 2.15 H +ATOM 1190 HD12 ILE A 74 -4.945 -2.033 -15.691 1.00 2.28 H +ATOM 1191 HD13 ILE A 74 -5.653 -0.431 -15.486 1.00 2.29 H +ATOM 1192 N ARG A 75 -10.691 0.199 -16.825 1.00 1.29 N +ATOM 1193 CA ARG A 75 -12.136 0.339 -17.174 1.00 1.42 C +ATOM 1194 C ARG A 75 -12.369 1.682 -17.864 1.00 1.52 C +ATOM 1195 O ARG A 75 -13.025 1.754 -18.885 1.00 1.68 O +ATOM 1196 CB ARG A 75 -12.990 0.260 -15.904 1.00 1.36 C +ATOM 1197 CG ARG A 75 -14.446 -0.010 -16.285 1.00 1.61 C +ATOM 1198 CD ARG A 75 -15.272 1.263 -16.091 1.00 1.77 C +ATOM 1199 NE ARG A 75 -15.021 1.815 -14.730 1.00 1.70 N +ATOM 1200 CZ ARG A 75 -15.373 3.040 -14.448 1.00 2.10 C +ATOM 1201 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 2.69 N +ATOM 1202 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 2.54 N +ATOM 1203 H ARG A 75 -10.422 0.046 -15.896 1.00 1.17 H +ATOM 1204 HA ARG A 75 -12.419 -0.458 -17.849 1.00 1.53 H +ATOM 1205 HB2 ARG A 75 -12.628 -0.541 -15.274 1.00 1.77 H +ATOM 1206 HB3 ARG A 75 -12.928 1.196 -15.369 1.00 1.52 H +ATOM 1207 HG2 ARG A 75 -14.495 -0.318 -17.320 1.00 2.02 H +ATOM 1208 HG3 ARG A 75 -14.843 -0.794 -15.656 1.00 2.12 H +ATOM 1209 HD2 ARG A 75 -14.987 1.993 -16.834 1.00 2.20 H +ATOM 1210 HD3 ARG A 75 -16.322 1.031 -16.197 1.00 2.01 H +ATOM 1211 HE ARG A 75 -14.591 1.260 -14.047 1.00 1.66 H +ATOM 1212 HH11 ARG A 75 -17.276 2.787 -15.017 1.00 3.04 H +ATOM 1213 HH12 ARG A 75 -16.874 4.367 -14.433 1.00 3.11 H +ATOM 1214 HH21 ARG A 75 -13.553 3.580 -13.813 1.00 2.81 H +ATOM 1215 HH22 ARG A 75 -14.766 4.816 -13.751 1.00 2.97 H +ATOM 1216 N ARG A 76 -11.839 2.750 -17.329 1.00 1.43 N +ATOM 1217 CA ARG A 76 -12.046 4.070 -17.985 1.00 1.55 C +ATOM 1218 C ARG A 76 -11.541 3.960 -19.420 1.00 1.67 C +ATOM 1219 O ARG A 76 -12.216 4.328 -20.359 1.00 1.83 O +ATOM 1220 CB ARG A 76 -11.256 5.148 -17.239 1.00 1.45 C +ATOM 1221 CG ARG A 76 -11.601 6.524 -17.811 1.00 1.62 C +ATOM 1222 CD ARG A 76 -11.544 7.570 -16.696 1.00 1.72 C +ATOM 1223 NE ARG A 76 -11.975 8.895 -17.227 1.00 2.17 N +ATOM 1224 CZ ARG A 76 -11.658 9.250 -18.443 1.00 2.50 C +ATOM 1225 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 2.89 N +ATOM 1226 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 3.17 N +ATOM 1227 H ARG A 76 -11.309 2.682 -16.508 1.00 1.30 H +ATOM 1228 HA ARG A 76 -13.097 4.317 -17.987 1.00 1.63 H +ATOM 1229 HB2 ARG A 76 -11.513 5.120 -16.189 1.00 1.45 H +ATOM 1230 HB3 ARG A 76 -10.199 4.966 -17.356 1.00 1.41 H +ATOM 1231 HG2 ARG A 76 -10.891 6.780 -18.584 1.00 1.82 H +ATOM 1232 HG3 ARG A 76 -12.596 6.501 -18.230 1.00 2.06 H +ATOM 1233 HD2 ARG A 76 -12.203 7.275 -15.893 1.00 2.19 H +ATOM 1234 HD3 ARG A 76 -10.533 7.643 -16.323 1.00 2.00 H +ATOM 1235 HE ARG A 76 -12.498 9.503 -16.662 1.00 2.74 H +ATOM 1236 HH11 ARG A 76 -9.814 9.856 -17.950 1.00 3.01 H +ATOM 1237 HH12 ARG A 76 -10.234 10.017 -19.623 1.00 3.47 H +ATOM 1238 HH21 ARG A 76 -13.427 8.726 -19.222 1.00 3.47 H +ATOM 1239 HH22 ARG A 76 -12.279 9.378 -20.343 1.00 3.71 H +ATOM 1240 N LEU A 77 -10.372 3.412 -19.595 1.00 1.62 N +ATOM 1241 CA LEU A 77 -9.838 3.226 -20.968 1.00 1.76 C +ATOM 1242 C LEU A 77 -10.847 2.389 -21.754 1.00 1.92 C +ATOM 1243 O LEU A 77 -11.184 2.700 -22.877 1.00 2.09 O +ATOM 1244 CB LEU A 77 -8.499 2.489 -20.903 1.00 1.69 C +ATOM 1245 CG LEU A 77 -7.354 3.498 -20.979 1.00 1.72 C +ATOM 1246 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 1.72 C +ATOM 1247 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 2.01 C +ATOM 1248 H LEU A 77 -9.860 3.093 -18.823 1.00 1.49 H +ATOM 1249 HA LEU A 77 -9.707 4.186 -21.445 1.00 1.83 H +ATOM 1250 HB2 LEU A 77 -8.435 1.940 -19.974 1.00 1.59 H +ATOM 1251 HB3 LEU A 77 -8.425 1.802 -21.733 1.00 1.80 H +ATOM 1252 HG LEU A 77 -7.602 4.369 -20.388 1.00 1.71 H +ATOM 1253 HD11 LEU A 77 -6.215 1.793 -20.345 1.00 1.99 H +ATOM 1254 HD12 LEU A 77 -5.255 3.063 -21.106 1.00 2.11 H +ATOM 1255 HD13 LEU A 77 -5.854 3.274 -19.460 1.00 1.93 H +ATOM 1256 HD21 LEU A 77 -8.090 3.976 -22.938 1.00 2.56 H +ATOM 1257 HD22 LEU A 77 -6.646 4.873 -22.467 1.00 2.23 H +ATOM 1258 HD23 LEU A 77 -6.518 3.176 -22.929 1.00 2.13 H +ATOM 1259 N ILE A 78 -11.311 1.322 -21.144 1.00 1.89 N +ATOM 1260 CA ILE A 78 -12.300 0.399 -21.779 1.00 2.07 C +ATOM 1261 C ILE A 78 -11.558 -0.754 -22.449 1.00 2.17 C +ATOM 1262 O ILE A 78 -10.995 -0.618 -23.516 1.00 2.50 O +ATOM 1263 CB ILE A 78 -13.168 1.137 -22.798 1.00 2.14 C +ATOM 1264 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 2.13 C +ATOM 1265 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 2.25 C +ATOM 1266 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 2.38 C +ATOM 1267 H ILE A 78 -10.995 1.123 -20.241 1.00 1.77 H +ATOM 1268 HA ILE A 78 -12.939 -0.006 -21.005 1.00 2.26 H +ATOM 1269 HB ILE A 78 -12.565 1.442 -23.637 1.00 2.30 H +ATOM 1270 HG12 ILE A 78 -14.843 2.195 -21.975 1.00 2.27 H +ATOM 1271 HG13 ILE A 78 -13.310 2.523 -21.165 1.00 2.04 H +ATOM 1272 HG21 ILE A 78 -14.358 -0.639 -22.616 1.00 2.53 H +ATOM 1273 HG22 ILE A 78 -15.220 0.744 -23.290 1.00 2.38 H +ATOM 1274 HG23 ILE A 78 -14.055 -0.138 -24.279 1.00 2.56 H +ATOM 1275 HD11 ILE A 78 -13.193 3.293 -23.965 1.00 2.64 H +ATOM 1276 HD12 ILE A 78 -14.528 4.101 -23.144 1.00 2.66 H +ATOM 1277 HD13 ILE A 78 -12.883 4.269 -22.529 1.00 2.72 H +ATOM 1278 N LYS A 79 -11.549 -1.893 -21.810 1.00 2.25 N +ATOM 1279 CA LYS A 79 -10.841 -3.072 -22.378 1.00 2.60 C +ATOM 1280 C LYS A 79 -11.762 -3.803 -23.357 1.00 2.97 C +ATOM 1281 O LYS A 79 -12.865 -4.183 -23.019 1.00 3.27 O +ATOM 1282 CB LYS A 79 -10.447 -4.018 -21.239 1.00 2.80 C +ATOM 1283 CG LYS A 79 -9.148 -4.741 -21.598 1.00 3.38 C +ATOM 1284 CD LYS A 79 -8.868 -5.834 -20.563 1.00 3.94 C +ATOM 1285 CE LYS A 79 -8.755 -7.188 -21.268 1.00 4.56 C +ATOM 1286 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 5.22 N +ATOM 1287 H LYS A 79 -12.008 -1.968 -20.948 1.00 2.32 H +ATOM 1288 HA LYS A 79 -9.951 -2.744 -22.896 1.00 2.72 H +ATOM 1289 HB2 LYS A 79 -10.306 -3.447 -20.330 1.00 2.65 H +ATOM 1290 HB3 LYS A 79 -11.232 -4.745 -21.088 1.00 3.01 H +ATOM 1291 HG2 LYS A 79 -9.243 -5.186 -22.578 1.00 3.67 H +ATOM 1292 HG3 LYS A 79 -8.332 -4.034 -21.601 1.00 3.67 H +ATOM 1293 HD2 LYS A 79 -7.942 -5.615 -20.051 1.00 4.28 H +ATOM 1294 HD3 LYS A 79 -9.676 -5.869 -19.849 1.00 4.08 H +ATOM 1295 HE2 LYS A 79 -9.594 -7.317 -21.935 1.00 4.79 H +ATOM 1296 HE3 LYS A 79 -7.835 -7.223 -21.833 1.00 4.75 H +ATOM 1297 HZ1 LYS A 79 -9.627 -8.226 -19.688 1.00 5.33 H +ATOM 1298 HZ2 LYS A 79 -8.709 -9.199 -20.731 1.00 5.57 H +ATOM 1299 HZ3 LYS A 79 -7.929 -8.169 -19.627 1.00 5.57 H +ATOM 1300 N LYS A 80 -11.318 -3.995 -24.570 1.00 3.27 N +ATOM 1301 CA LYS A 80 -12.166 -4.698 -25.578 1.00 3.83 C +ATOM 1302 C LYS A 80 -13.409 -3.855 -25.871 1.00 4.00 C +ATOM 1303 O LYS A 80 -14.435 -4.438 -26.180 1.00 4.36 O +ATOM 1304 CB LYS A 80 -12.597 -6.068 -25.037 1.00 4.43 C +ATOM 1305 CG LYS A 80 -11.368 -6.950 -24.795 1.00 5.03 C +ATOM 1306 CD LYS A 80 -10.712 -7.300 -26.133 1.00 5.77 C +ATOM 1307 CE LYS A 80 -9.211 -7.513 -25.928 1.00 6.68 C +ATOM 1308 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 7.38 N +ATOM 1309 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 4.28 O +ATOM 1310 H LYS A 80 -10.426 -3.670 -24.821 1.00 3.31 H +ATOM 1311 HA LYS A 80 -11.603 -4.832 -26.490 1.00 4.17 H +ATOM 1312 HB2 LYS A 80 -13.133 -5.935 -24.109 1.00 4.57 H +ATOM 1313 HB3 LYS A 80 -13.243 -6.548 -25.756 1.00 4.74 H +ATOM 1314 HG2 LYS A 80 -10.659 -6.423 -24.173 1.00 5.27 H +ATOM 1315 HG3 LYS A 80 -11.672 -7.859 -24.299 1.00 5.11 H +ATOM 1316 HD2 LYS A 80 -11.156 -8.206 -26.523 1.00 5.83 H +ATOM 1317 HD3 LYS A 80 -10.867 -6.494 -26.833 1.00 5.97 H +ATOM 1318 HE2 LYS A 80 -8.712 -7.496 -26.886 1.00 6.97 H +ATOM 1319 HE3 LYS A 80 -8.818 -6.726 -25.303 1.00 6.87 H +ATOM 1320 HZ1 LYS A 80 -9.894 -9.262 -25.026 1.00 7.46 H +ATOM 1321 HZ2 LYS A 80 -8.467 -9.458 -25.926 1.00 7.83 H +ATOM 1322 HZ3 LYS A 80 -8.419 -8.696 -24.408 1.00 7.60 H diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/membrane_span/input_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/membrane_span/input_A.span index ab6653d..79e5de3 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/membrane_span/input_A.span +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/membrane_span/input_A.span @@ -2,5 +2,5 @@ Rosetta-generated spanfile from SpanningTopology object 2 80 antiparallel n2c - 12 33 + 12 32 52 73 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb index 925b26b..8fd1ecd 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb @@ -1,1323 +1,1331 @@ +HEADER XXXX EXPDTA THEORETICAL MODEL -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 50.00 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 50.00 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 50.00 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 50.00 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 50.00 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 50.00 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 50.00 C -ATOM 8 1H VAL A 1 1.925 -20.044 6.917 1.00 50.00 H -ATOM 9 2H VAL A 1 2.808 -20.648 8.151 1.00 50.00 H -ATOM 10 3H VAL A 1 1.177 -20.651 8.235 1.00 50.00 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 50.00 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 50.00 H -ATOM 13 1HG1 VAL A 1 -0.277 -19.650 9.164 1.00 50.00 H -ATOM 14 2HG1 VAL A 1 -1.337 -18.334 8.655 1.00 50.00 H -ATOM 15 3HG1 VAL A 1 -0.699 -19.465 7.461 1.00 50.00 H -ATOM 16 1HG2 VAL A 1 1.546 -16.272 9.094 1.00 50.00 H -ATOM 17 2HG2 VAL A 1 -0.159 -16.144 8.663 1.00 50.00 H -ATOM 18 3HG2 VAL A 1 0.327 -17.098 10.064 1.00 50.00 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 50.00 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 50.00 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 50.00 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 50.00 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 50.00 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 50.00 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 50.00 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 50.00 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 50.00 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 50.00 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 50.00 H -ATOM 30 1HB GLN A 2 4.114 -21.223 11.959 1.00 50.00 H -ATOM 31 2HB GLN A 2 5.395 -20.012 11.957 1.00 50.00 H -ATOM 32 1HG GLN A 2 5.100 -21.388 14.113 1.00 50.00 H -ATOM 33 2HG GLN A 2 5.195 -19.638 14.295 1.00 50.00 H -ATOM 34 1HE2 GLN A 2 2.009 -19.422 15.761 1.00 50.00 H -ATOM 35 2HE2 GLN A 2 3.509 -18.689 15.456 1.00 50.00 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 50.00 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 50.00 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 50.00 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 50.00 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 50.00 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 50.00 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 50.00 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 50.00 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 50.00 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 50.00 H -ATOM 46 1HB LEU A 3 2.349 -15.694 13.547 1.00 50.00 H -ATOM 47 2HB LEU A 3 3.613 -14.867 14.459 1.00 50.00 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 50.00 H -ATOM 49 1HD1 LEU A 3 0.848 -14.524 12.192 1.00 50.00 H -ATOM 50 2HD1 LEU A 3 1.179 -12.895 11.603 1.00 50.00 H -ATOM 51 3HD1 LEU A 3 2.141 -14.256 11.023 1.00 50.00 H -ATOM 52 1HD2 LEU A 3 2.535 -12.966 15.061 1.00 50.00 H -ATOM 53 2HD2 LEU A 3 1.695 -11.912 13.925 1.00 50.00 H -ATOM 54 3HD2 LEU A 3 0.975 -13.452 14.397 1.00 50.00 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 50.00 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 50.00 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 50.00 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 50.00 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 50.00 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 50.00 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 50.00 H -ATOM 62 1HB ALA A 4 7.976 -14.199 12.734 1.00 50.00 H -ATOM 63 2HB ALA A 4 8.967 -13.600 14.063 1.00 50.00 H -ATOM 64 3HB ALA A 4 9.018 -15.307 13.625 1.00 50.00 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 0.00 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 0.00 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 0.00 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 0.00 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 0.00 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 0.00 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 0.00 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 0.00 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 0.00 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 0.00 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 0.00 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 0.00 H -ATOM 77 1HB HIS A 5 5.398 -10.987 16.023 1.00 0.00 H -ATOM 78 2HB HIS A 5 5.620 -10.307 17.636 1.00 0.00 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 0.00 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 0.00 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 0.00 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 0.00 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 0.00 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 0.00 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 0.00 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 0.00 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 0.00 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 0.00 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 0.00 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 0.00 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 0.00 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 0.00 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 0.00 H -ATOM 94 1HB HIS A 6 4.112 -14.086 20.125 1.00 0.00 H -ATOM 95 2HB HIS A 6 3.498 -13.599 21.705 1.00 0.00 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 0.00 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 0.00 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 0.00 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 0.00 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 0.00 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 0.00 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 0.00 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 0.00 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 0.00 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 0.00 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 0.00 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 0.00 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 0.00 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 0.00 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 0.00 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 0.00 H -ATOM 112 1HB PHE A 7 6.719 -11.356 23.478 1.00 0.00 H -ATOM 113 2HB PHE A 7 6.504 -10.028 24.620 1.00 0.00 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 0.00 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 0.00 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 0.00 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 0.00 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 0.00 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 0.00 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 0.00 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 0.00 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 0.00 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 0.00 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 0.00 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 0.00 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 0.00 H -ATOM 127 1HB SER A 8 5.982 -5.131 23.882 1.00 0.00 H -ATOM 128 2HB SER A 8 6.431 -6.722 24.489 1.00 0.00 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 0.00 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 0.00 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 0.00 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 0.00 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 0.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 0.00 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 0.00 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 0.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 0.00 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 0.00 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 0.00 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 0.00 H -ATOM 141 1HB GLU A 9 2.341 -2.961 21.018 1.00 0.00 H -ATOM 142 2HB GLU A 9 1.671 -3.768 19.600 1.00 0.00 H -ATOM 143 1HG GLU A 9 1.236 -5.716 21.372 1.00 0.00 H -ATOM 144 2HG GLU A 9 1.243 -4.358 22.497 1.00 0.00 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 0.00 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 0.00 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 0.00 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 0.00 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 0.00 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 0.00 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 0.00 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 0.00 H -ATOM 153 1HB PRO A 10 6.953 -4.952 16.355 1.00 0.00 H -ATOM 154 2HB PRO A 10 8.045 -5.214 17.721 1.00 0.00 H -ATOM 155 1HG PRO A 10 5.833 -6.875 16.885 1.00 0.00 H -ATOM 156 2HG PRO A 10 6.947 -7.145 18.231 1.00 0.00 H -ATOM 157 1HD PRO A 10 4.185 -6.357 18.373 1.00 0.00 H -ATOM 158 2HD PRO A 10 5.319 -6.583 19.720 1.00 0.00 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 0.00 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 0.00 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 0.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.00 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 0.00 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 0.00 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 0.00 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 0.00 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 0.00 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 0.00 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 0.00 H -ATOM 170 1HB GLU A 11 6.853 0.714 17.318 1.00 0.00 H -ATOM 171 2HB GLU A 11 5.609 1.467 16.319 1.00 0.00 H -ATOM 172 1HG GLU A 11 4.765 2.151 18.324 1.00 0.00 H -ATOM 173 2HG GLU A 11 4.094 0.521 18.377 1.00 0.00 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 50.00 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 50.00 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 50.00 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 50.00 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 50.00 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 50.00 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 50.00 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 50.00 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 50.00 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 50.00 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 50.00 H -ATOM 185 1HG1 ILE A 12 10.822 -2.356 12.586 1.00 50.00 H -ATOM 186 2HG1 ILE A 12 9.246 -2.212 11.808 1.00 50.00 H -ATOM 187 1HG2 ILE A 12 8.799 -3.329 15.413 1.00 50.00 H -ATOM 188 2HG2 ILE A 12 9.003 -3.984 13.789 1.00 50.00 H -ATOM 189 3HG2 ILE A 12 10.412 -3.455 14.709 1.00 50.00 H -ATOM 190 1HD1 ILE A 12 9.686 0.312 12.896 1.00 50.00 H -ATOM 191 2HD1 ILE A 12 11.267 -0.160 12.271 1.00 50.00 H -ATOM 192 3HD1 ILE A 12 9.868 -0.129 11.198 1.00 50.00 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 50.00 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 50.00 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 50.00 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 50.00 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 50.00 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 50.00 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 50.00 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 50.00 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 50.00 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 50.00 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 50.00 H -ATOM 204 1HG2 THR A 13 7.912 -5.721 14.906 1.00 50.00 H -ATOM 205 2HG2 THR A 13 7.125 -7.157 15.562 1.00 50.00 H -ATOM 206 3HG2 THR A 13 7.690 -7.146 13.891 1.00 50.00 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 50.00 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 50.00 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 50.00 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 50.00 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 50.00 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 50.00 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 50.00 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 50.00 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 50.00 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 50.00 H -ATOM 217 1HB LEU A 14 2.089 -3.078 14.913 1.00 50.00 H -ATOM 218 2HB LEU A 14 2.151 -1.562 14.014 1.00 50.00 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 50.00 H -ATOM 220 1HD1 LEU A 14 0.237 -1.411 15.384 1.00 50.00 H -ATOM 221 2HD1 LEU A 14 -0.667 -0.852 13.975 1.00 50.00 H -ATOM 222 3HD1 LEU A 14 -1.284 -2.190 14.946 1.00 50.00 H -ATOM 223 1HD2 LEU A 14 0.664 -1.509 11.922 1.00 50.00 H -ATOM 224 2HD2 LEU A 14 0.400 -3.222 11.594 1.00 50.00 H -ATOM 225 3HD2 LEU A 14 -0.954 -2.195 12.067 1.00 50.00 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 50.00 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 50.00 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 50.00 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 50.00 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 50.00 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 50.00 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 50.00 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 50.00 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 50.00 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 50.00 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 50.00 H -ATOM 237 1HG1 ILE A 15 3.818 2.192 11.913 1.00 50.00 H -ATOM 238 2HG1 ILE A 15 4.088 0.846 13.021 1.00 50.00 H -ATOM 239 1HG2 ILE A 15 4.408 1.911 9.510 1.00 50.00 H -ATOM 240 2HG2 ILE A 15 5.973 2.324 10.211 1.00 50.00 H -ATOM 241 3HG2 ILE A 15 5.828 0.933 9.136 1.00 50.00 H -ATOM 242 1HD1 ILE A 15 6.365 2.600 12.102 1.00 50.00 H -ATOM 243 2HD1 ILE A 15 5.370 3.040 13.490 1.00 50.00 H -ATOM 244 3HD1 ILE A 15 6.296 1.540 13.509 1.00 50.00 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 50.00 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 50.00 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 50.00 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 50.00 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 50.00 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 50.00 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 50.00 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 50.00 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 50.00 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 50.00 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 50.00 H -ATOM 256 1HG1 ILE A 16 8.516 -2.734 8.425 1.00 50.00 H -ATOM 257 2HG1 ILE A 16 7.901 -2.381 10.039 1.00 50.00 H -ATOM 258 1HG2 ILE A 16 6.422 -4.757 7.065 1.00 50.00 H -ATOM 259 2HG2 ILE A 16 8.112 -4.844 7.561 1.00 50.00 H -ATOM 260 3HG2 ILE A 16 6.926 -5.934 8.278 1.00 50.00 H -ATOM 261 1HD1 ILE A 16 9.211 -5.008 9.297 1.00 50.00 H -ATOM 262 2HD1 ILE A 16 10.086 -3.653 10.011 1.00 50.00 H -ATOM 263 3HD1 ILE A 16 8.792 -4.441 10.913 1.00 50.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 50.00 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 50.00 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 50.00 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 50.00 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 50.00 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 50.00 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 50.00 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 50.00 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 50.00 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 50.00 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 50.00 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 50.00 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 50.00 H -ATOM 277 1HB PHE A 17 1.924 -4.887 10.445 1.00 50.00 H -ATOM 278 2HB PHE A 17 0.791 -5.706 9.371 1.00 50.00 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 50.00 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 50.00 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 50.00 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 50.00 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 50.00 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 50.00 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 50.00 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 50.00 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 50.00 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 50.00 H -ATOM 289 1HA GLY A 18 -0.474 -2.475 7.247 1.00 50.00 H -ATOM 290 2HA GLY A 18 0.438 -1.089 7.852 1.00 50.00 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 50.00 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 50.00 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 50.00 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 50.00 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 50.00 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 50.00 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 50.00 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 50.00 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 50.00 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 50.00 H -ATOM 301 1HG1 VAL A 19 4.415 -1.047 2.547 1.00 50.00 H -ATOM 302 2HG1 VAL A 19 5.461 0.194 3.239 1.00 50.00 H -ATOM 303 3HG1 VAL A 19 5.986 -1.490 3.217 1.00 50.00 H -ATOM 304 1HG2 VAL A 19 3.803 0.365 6.153 1.00 50.00 H -ATOM 305 2HG2 VAL A 19 5.539 0.058 6.204 1.00 50.00 H -ATOM 306 3HG2 VAL A 19 4.857 1.053 4.918 1.00 50.00 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 50.00 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 50.00 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 50.00 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 50.00 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 50.00 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 50.00 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 50.00 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 50.00 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 50.00 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 50.00 H -ATOM 317 1HB MET A 20 2.699 -6.028 5.370 1.00 50.00 H -ATOM 318 2HB MET A 20 2.828 -7.082 3.961 1.00 50.00 H -ATOM 319 1HG MET A 20 5.189 -5.878 3.715 1.00 50.00 H -ATOM 320 2HG MET A 20 4.982 -5.632 5.449 1.00 50.00 H -ATOM 321 1HE MET A 20 6.970 -6.893 3.720 1.00 50.00 H -ATOM 322 2HE MET A 20 7.575 -7.912 5.023 1.00 50.00 H -ATOM 323 3HE MET A 20 7.014 -8.650 3.525 1.00 50.00 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 50.00 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 50.00 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 50.00 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 50.00 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 50.00 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 50.00 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 50.00 H -ATOM 331 1HB ALA A 21 -1.239 -4.012 5.520 1.00 50.00 H -ATOM 332 2HB ALA A 21 -2.636 -3.839 4.453 1.00 50.00 H -ATOM 333 3HB ALA A 21 -2.282 -5.395 5.202 1.00 50.00 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 50.00 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 50.00 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 50.00 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 50.00 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 50.00 H -ATOM 339 1HA GLY A 22 -2.114 -1.684 1.151 1.00 50.00 H -ATOM 340 2HA GLY A 22 -0.545 -0.911 1.393 1.00 50.00 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 50.00 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 50.00 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 50.00 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 50.00 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 50.00 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 50.00 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 50.00 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 50.00 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 50.00 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 50.00 H -ATOM 351 1HG1 VAL A 23 2.853 -4.691 -2.941 1.00 50.00 H -ATOM 352 2HG1 VAL A 23 4.186 -5.263 -1.938 1.00 50.00 H -ATOM 353 3HG1 VAL A 23 2.639 -6.110 -1.917 1.00 50.00 H -ATOM 354 1HG2 VAL A 23 3.137 -2.160 -0.938 1.00 50.00 H -ATOM 355 2HG2 VAL A 23 3.944 -3.044 0.357 1.00 50.00 H -ATOM 356 3HG2 VAL A 23 4.479 -3.241 -1.311 1.00 50.00 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 50.00 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 50.00 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 50.00 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 50.00 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 50.00 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 50.00 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 50.00 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 50.00 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 50.00 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 50.00 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 50.00 H -ATOM 368 1HG1 ILE A 24 0.622 -7.270 1.018 1.00 50.00 H -ATOM 369 2HG1 ILE A 24 -0.359 -8.393 1.961 1.00 50.00 H -ATOM 370 1HG2 ILE A 24 -2.186 -8.949 -1.123 1.00 50.00 H -ATOM 371 2HG2 ILE A 24 -2.016 -9.569 0.518 1.00 50.00 H -ATOM 372 3HG2 ILE A 24 -3.316 -8.443 0.133 1.00 50.00 H -ATOM 373 1HD1 ILE A 24 0.259 -9.084 -0.886 1.00 50.00 H -ATOM 374 2HD1 ILE A 24 1.524 -9.294 0.324 1.00 50.00 H -ATOM 375 3HD1 ILE A 24 -0.008 -10.152 0.492 1.00 50.00 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 50.00 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 50.00 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 50.00 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 50.00 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 50.00 H -ATOM 381 1HA GLY A 25 -4.875 -5.493 -1.780 1.00 50.00 H -ATOM 382 2HA GLY A 25 -4.454 -3.864 -1.246 1.00 50.00 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 50.00 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 50.00 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 50.00 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 50.00 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 50.00 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 50.00 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 50.00 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 50.00 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 50.00 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 50.00 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 50.00 H -ATOM 394 1HG2 THR A 26 -1.096 -2.740 -6.946 1.00 50.00 H -ATOM 395 2HG2 THR A 26 -1.145 -1.045 -6.461 1.00 50.00 H -ATOM 396 3HG2 THR A 26 0.365 -1.948 -6.355 1.00 50.00 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 50.00 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 50.00 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 50.00 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 50.00 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 50.00 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 50.00 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 50.00 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 50.00 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 50.00 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 50.00 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 50.00 H -ATOM 408 1HG1 ILE A 27 1.339 -6.927 -5.942 1.00 50.00 H -ATOM 409 2HG1 ILE A 27 0.881 -6.243 -4.383 1.00 50.00 H -ATOM 410 1HG2 ILE A 27 -0.940 -8.941 -6.843 1.00 50.00 H -ATOM 411 2HG2 ILE A 27 0.575 -9.321 -6.021 1.00 50.00 H -ATOM 412 3HG2 ILE A 27 -0.964 -9.778 -5.290 1.00 50.00 H -ATOM 413 1HD1 ILE A 27 1.140 -8.798 -3.625 1.00 50.00 H -ATOM 414 2HD1 ILE A 27 2.251 -8.821 -4.994 1.00 50.00 H -ATOM 415 3HD1 ILE A 27 2.516 -7.696 -3.661 1.00 50.00 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 50.00 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 50.00 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 50.00 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 50.00 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 50.00 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 50.00 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 50.00 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 50.00 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 50.00 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 50.00 H -ATOM 426 1HB LEU A 28 -5.894 -8.926 -3.958 1.00 50.00 H -ATOM 427 2HB LEU A 28 -5.177 -7.372 -3.555 1.00 50.00 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 50.00 H -ATOM 429 1HD1 LEU A 28 -7.500 -8.412 -6.265 1.00 50.00 H -ATOM 430 2HD1 LEU A 28 -8.217 -9.045 -4.783 1.00 50.00 H -ATOM 431 3HD1 LEU A 28 -8.919 -7.630 -5.568 1.00 50.00 H -ATOM 432 1HD2 LEU A 28 -7.123 -7.383 -2.373 1.00 50.00 H -ATOM 433 2HD2 LEU A 28 -7.850 -5.908 -3.009 1.00 50.00 H -ATOM 434 3HD2 LEU A 28 -8.716 -7.440 -3.126 1.00 50.00 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 50.00 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 50.00 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 50.00 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 50.00 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 50.00 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 50.00 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 50.00 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 50.00 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 50.00 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 50.00 H -ATOM 445 1HB LEU A 29 -6.215 -3.323 -6.439 1.00 50.00 H -ATOM 446 2HB LEU A 29 -4.897 -3.312 -7.612 1.00 50.00 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 50.00 H -ATOM 448 1HD1 LEU A 29 -8.540 -3.723 -7.684 1.00 50.00 H -ATOM 449 2HD1 LEU A 29 -8.337 -2.085 -7.062 1.00 50.00 H -ATOM 450 3HD1 LEU A 29 -8.885 -2.338 -8.720 1.00 50.00 H -ATOM 451 1HD2 LEU A 29 -5.702 -1.076 -7.551 1.00 50.00 H -ATOM 452 2HD2 LEU A 29 -5.634 -1.142 -9.312 1.00 50.00 H -ATOM 453 3HD2 LEU A 29 -7.102 -0.590 -8.507 1.00 50.00 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 50.00 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 50.00 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 50.00 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 50.00 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 50.00 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 50.00 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 50.00 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 50.00 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 50.00 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 50.00 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 50.00 H -ATOM 465 1HG1 ILE A 30 -1.532 -3.865 -10.561 1.00 50.00 H -ATOM 466 2HG1 ILE A 30 -2.187 -4.150 -8.948 1.00 50.00 H -ATOM 467 1HG2 ILE A 30 -1.985 -6.973 -12.031 1.00 50.00 H -ATOM 468 2HG2 ILE A 30 -1.135 -5.428 -12.049 1.00 50.00 H -ATOM 469 3HG2 ILE A 30 -0.418 -6.820 -11.236 1.00 50.00 H -ATOM 470 1HD1 ILE A 30 0.153 -5.717 -9.113 1.00 50.00 H -ATOM 471 2HD1 ILE A 30 0.572 -4.152 -9.807 1.00 50.00 H -ATOM 472 3HD1 ILE A 30 -0.077 -4.245 -8.170 1.00 50.00 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 50.00 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 50.00 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 50.00 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 50.00 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 50.00 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 50.00 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 50.00 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 50.00 H -ATOM 481 1HB SER A 31 -5.370 -10.056 -8.498 1.00 50.00 H -ATOM 482 2HB SER A 31 -5.009 -11.426 -9.544 1.00 50.00 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 50.00 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 50.00 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 50.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 50.00 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 50.00 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 50.00 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 50.00 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 50.00 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 50.00 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 50.00 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 50.00 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 50.00 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 50.00 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 50.00 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 50.00 H -ATOM 498 1HB TYR A 32 -8.430 -7.136 -9.298 1.00 50.00 H -ATOM 499 2HB TYR A 32 -9.525 -6.790 -10.637 1.00 50.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 50.00 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 50.00 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 50.00 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 50.00 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 50.00 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 50.00 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 50.00 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 50.00 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 50.00 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 50.00 H -ATOM 510 1HA GLY A 33 -8.117 -5.739 -14.121 1.00 50.00 H -ATOM 511 2HA GLY A 33 -6.458 -5.315 -13.695 1.00 50.00 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 50.00 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 50.00 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 50.00 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 50.00 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 50.00 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 50.00 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 50.00 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 50.00 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 50.00 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 50.00 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 50.00 H -ATOM 523 1HG1 ILE A 34 -1.999 -10.456 -15.325 1.00 50.00 H -ATOM 524 2HG1 ILE A 34 -3.181 -10.328 -16.627 1.00 50.00 H -ATOM 525 1HG2 ILE A 34 -5.179 -10.909 -13.539 1.00 50.00 H -ATOM 526 2HG2 ILE A 34 -4.623 -11.650 -15.037 1.00 50.00 H -ATOM 527 3HG2 ILE A 34 -3.521 -11.490 -13.669 1.00 50.00 H -ATOM 528 1HD1 ILE A 34 -2.685 -7.706 -15.563 1.00 50.00 H -ATOM 529 2HD1 ILE A 34 -1.143 -8.469 -15.951 1.00 50.00 H -ATOM 530 3HD1 ILE A 34 -2.383 -8.305 -17.194 1.00 50.00 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 50.00 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 50.00 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 50.00 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 50.00 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 50.00 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 50.00 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 50.00 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 50.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 50.00 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 50.00 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 50.00 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 50.00 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 50.00 H -ATOM 544 1HB ARG A 35 -9.198 -10.745 -13.492 1.00 50.00 H -ATOM 545 2HB ARG A 35 -9.683 -12.271 -14.231 1.00 50.00 H -ATOM 546 1HG ARG A 35 -7.086 -12.805 -13.528 1.00 50.00 H -ATOM 547 2HG ARG A 35 -7.595 -11.740 -12.217 1.00 50.00 H -ATOM 548 1HD ARG A 35 -9.040 -14.248 -13.124 1.00 50.00 H -ATOM 549 2HD ARG A 35 -8.082 -14.083 -11.654 1.00 50.00 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 50.00 H -ATOM 551 1HH1 ARG A 35 -9.859 -14.556 -9.703 1.00 50.00 H -ATOM 552 2HH1 ARG A 35 -11.448 -15.205 -9.938 1.00 50.00 H -ATOM 553 1HH2 ARG A 35 -12.104 -13.285 -12.750 1.00 50.00 H -ATOM 554 2HH2 ARG A 35 -12.718 -14.485 -11.664 1.00 50.00 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 0.00 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 0.00 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 0.00 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 0.00 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 0.00 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 0.00 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 0.00 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 0.00 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 0.00 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 0.00 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 0.00 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 0.00 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 0.00 H -ATOM 568 1HB ARG A 36 -10.779 -7.278 -15.456 1.00 0.00 H -ATOM 569 2HB ARG A 36 -9.608 -6.688 -16.636 1.00 0.00 H -ATOM 570 1HG ARG A 36 -12.155 -7.451 -17.863 1.00 0.00 H -ATOM 571 2HG ARG A 36 -12.332 -6.162 -16.671 1.00 0.00 H -ATOM 572 1HD ARG A 36 -10.210 -6.099 -18.826 1.00 0.00 H -ATOM 573 2HD ARG A 36 -11.815 -5.407 -19.056 1.00 0.00 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 0.00 H -ATOM 575 1HH1 ARG A 36 -13.078 -4.084 -17.544 1.00 0.00 H -ATOM 576 2HH1 ARG A 36 -13.145 -3.509 -15.912 1.00 0.00 H -ATOM 577 1HH2 ARG A 36 -9.726 -3.783 -15.397 1.00 0.00 H -ATOM 578 2HH2 ARG A 36 -11.245 -3.340 -14.696 1.00 0.00 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 0.00 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 0.00 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 0.00 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 0.00 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 0.00 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 0.00 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 0.00 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 0.00 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 0.00 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 0.00 H -ATOM 589 1HB LEU A 37 -5.966 -7.837 -18.456 1.00 0.00 H -ATOM 590 2HB LEU A 37 -5.533 -8.744 -19.906 1.00 0.00 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 0.00 H -ATOM 592 1HD1 LEU A 37 -4.064 -6.727 -19.047 1.00 0.00 H -ATOM 593 2HD1 LEU A 37 -3.993 -5.574 -20.379 1.00 0.00 H -ATOM 594 3HD1 LEU A 37 -4.941 -5.201 -18.939 1.00 0.00 H -ATOM 595 1HD2 LEU A 37 -5.208 -7.960 -21.816 1.00 0.00 H -ATOM 596 2HD2 LEU A 37 -6.460 -6.812 -22.291 1.00 0.00 H -ATOM 597 3HD2 LEU A 37 -4.798 -6.264 -22.075 1.00 0.00 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 0.00 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 0.00 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 0.00 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 0.00 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 0.00 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 0.00 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 0.00 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 0.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 0.00 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 0.00 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 0.00 H -ATOM 609 1HG1 ILE A 38 -6.130 -12.131 -17.575 1.00 0.00 H -ATOM 610 2HG1 ILE A 38 -7.854 -12.431 -17.787 1.00 0.00 H -ATOM 611 1HG2 ILE A 38 -5.064 -12.654 -20.840 1.00 0.00 H -ATOM 612 2HG2 ILE A 38 -4.829 -11.923 -19.253 1.00 0.00 H -ATOM 613 3HG2 ILE A 38 -4.576 -13.653 -19.472 1.00 0.00 H -ATOM 614 1HD1 ILE A 38 -6.918 -14.975 -17.874 1.00 0.00 H -ATOM 615 2HD1 ILE A 38 -5.726 -14.244 -16.797 1.00 0.00 H -ATOM 616 3HD1 ILE A 38 -7.440 -14.188 -16.384 1.00 0.00 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 0.00 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 0.00 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 0.00 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 0.00 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 0.00 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 0.00 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 0.00 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 0.00 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 0.00 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 0.00 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 0.00 H -ATOM 628 1HB LYS A 39 -10.925 -12.317 -18.174 1.00 0.00 H -ATOM 629 2HB LYS A 39 -12.241 -12.564 -19.322 1.00 0.00 H -ATOM 630 1HG LYS A 39 -13.333 -13.280 -17.434 1.00 0.00 H -ATOM 631 2HG LYS A 39 -12.536 -14.799 -17.847 1.00 0.00 H -ATOM 632 1HD LYS A 39 -10.655 -13.253 -16.383 1.00 0.00 H -ATOM 633 2HD LYS A 39 -12.182 -13.178 -15.502 1.00 0.00 H -ATOM 634 1HE LYS A 39 -11.451 -15.848 -16.555 1.00 0.00 H -ATOM 635 2HE LYS A 39 -10.421 -15.233 -15.264 1.00 0.00 H -ATOM 636 1HZ LYS A 39 -12.927 -14.629 -14.421 1.00 0.00 H -ATOM 637 2HZ LYS A 39 -13.138 -16.142 -15.155 1.00 0.00 H -ATOM 638 3HZ LYS A 39 -12.006 -15.958 -13.903 1.00 0.00 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 0.00 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 0.00 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 0.00 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 0.00 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 0.00 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 0.00 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 0.00 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 0.00 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 0.00 N -ATOM 648 H LYS A 40 -13.071 -14.674 -20.158 1.00 0.00 H -ATOM 649 HA LYS A 40 -14.161 -14.866 -22.232 1.00 0.00 H -ATOM 650 1HB LYS A 40 -12.896 -12.596 -22.527 1.00 0.00 H -ATOM 651 2HB LYS A 40 -11.810 -13.532 -23.555 1.00 0.00 H -ATOM 652 1HG LYS A 40 -14.260 -14.362 -24.459 1.00 0.00 H -ATOM 653 2HG LYS A 40 -14.590 -12.679 -24.047 1.00 0.00 H -ATOM 654 1HD LYS A 40 -12.982 -11.863 -25.553 1.00 0.00 H -ATOM 655 2HD LYS A 40 -12.135 -13.407 -25.630 1.00 0.00 H -ATOM 656 1HE LYS A 40 -13.445 -12.989 -27.691 1.00 0.00 H -ATOM 657 2HE LYS A 40 -14.035 -14.409 -26.826 1.00 0.00 H -ATOM 658 1HZ LYS A 40 -15.575 -12.667 -25.695 1.00 0.00 H -ATOM 659 2HZ LYS A 40 -15.258 -11.752 -27.090 1.00 0.00 H -ATOM 660 3HZ LYS A 40 -15.972 -13.285 -27.228 1.00 0.00 H -ATOM 661 N VAL A 41 10.922 3.839 1.467 1.00 50.00 N -ATOM 662 CA VAL A 41 10.922 2.946 2.660 1.00 50.00 C -ATOM 663 C VAL A 41 11.924 3.470 3.690 1.00 50.00 C -ATOM 664 O VAL A 41 12.858 2.788 4.065 1.00 50.00 O -ATOM 665 CB VAL A 41 11.319 1.531 2.237 1.00 50.00 C -ATOM 666 CG1 VAL A 41 12.773 1.530 1.761 1.00 50.00 C -ATOM 667 CG2 VAL A 41 11.175 0.584 3.430 1.00 50.00 C -ATOM 668 H VAL A 41 11.459 4.694 1.493 1.00 50.00 H -ATOM 669 HA VAL A 41 9.934 2.928 3.095 1.00 50.00 H -ATOM 670 HB VAL A 41 10.677 1.202 1.432 1.00 50.00 H -ATOM 671 1HG1 VAL A 41 13.082 2.542 1.546 1.00 50.00 H -ATOM 672 2HG1 VAL A 41 13.404 1.118 2.534 1.00 50.00 H -ATOM 673 3HG1 VAL A 41 12.859 0.930 0.867 1.00 50.00 H -ATOM 674 1HG2 VAL A 41 10.220 0.749 3.907 1.00 50.00 H -ATOM 675 2HG2 VAL A 41 11.233 -0.439 3.087 1.00 50.00 H -ATOM 676 3HG2 VAL A 41 11.968 0.772 4.137 1.00 50.00 H -ATOM 677 N GLN A 42 11.741 4.678 4.152 1.00 50.00 N -ATOM 678 CA GLN A 42 12.685 5.241 5.159 1.00 50.00 C -ATOM 679 C GLN A 42 12.590 4.431 6.454 1.00 50.00 C -ATOM 680 O GLN A 42 11.536 3.947 6.817 1.00 50.00 O -ATOM 681 CB GLN A 42 12.323 6.702 5.444 1.00 50.00 C -ATOM 682 CG GLN A 42 12.678 7.573 4.235 1.00 50.00 C -ATOM 683 CD GLN A 42 14.098 7.249 3.768 1.00 50.00 C -ATOM 684 OE1 GLN A 42 14.289 6.722 2.689 1.00 50.00 O -ATOM 685 NE2 GLN A 42 15.109 7.543 4.538 1.00 50.00 N -ATOM 686 H GLN A 42 10.982 5.213 3.838 1.00 50.00 H -ATOM 687 HA GLN A 42 13.693 5.187 4.776 1.00 50.00 H -ATOM 688 1HB GLN A 42 11.263 6.777 5.642 1.00 50.00 H -ATOM 689 2HB GLN A 42 12.873 7.046 6.307 1.00 50.00 H -ATOM 690 1HG GLN A 42 11.980 7.380 3.433 1.00 50.00 H -ATOM 691 2HG GLN A 42 12.623 8.615 4.516 1.00 50.00 H -ATOM 692 1HE2 GLN A 42 16.022 7.339 4.248 1.00 50.00 H -ATOM 693 2HE2 GLN A 42 14.955 7.968 5.408 1.00 50.00 H -ATOM 694 N LEU A 43 13.683 4.279 7.151 1.00 50.00 N -ATOM 695 CA LEU A 43 13.652 3.498 8.420 1.00 50.00 C -ATOM 696 C LEU A 43 14.482 4.216 9.485 1.00 50.00 C -ATOM 697 O LEU A 43 14.705 3.701 10.563 1.00 50.00 O -ATOM 698 CB LEU A 43 14.237 2.106 8.175 1.00 50.00 C -ATOM 699 CG LEU A 43 13.415 1.065 8.934 1.00 50.00 C -ATOM 700 CD1 LEU A 43 11.964 1.106 8.452 1.00 50.00 C -ATOM 701 CD2 LEU A 43 13.997 -0.328 8.679 1.00 50.00 C -ATOM 702 H LEU A 43 14.523 4.675 6.840 1.00 50.00 H -ATOM 703 HA LEU A 43 12.632 3.404 8.760 1.00 50.00 H -ATOM 704 1HB LEU A 43 14.211 1.886 7.117 1.00 50.00 H -ATOM 705 2HB LEU A 43 15.259 2.080 8.523 1.00 50.00 H -ATOM 706 HG LEU A 43 13.449 1.282 9.993 1.00 50.00 H -ATOM 707 1HD1 LEU A 43 11.922 1.571 7.477 1.00 50.00 H -ATOM 708 2HD1 LEU A 43 11.577 0.100 8.388 1.00 50.00 H -ATOM 709 3HD1 LEU A 43 11.369 1.676 9.149 1.00 50.00 H -ATOM 710 1HD2 LEU A 43 15.044 -0.240 8.430 1.00 50.00 H -ATOM 711 2HD2 LEU A 43 13.887 -0.932 9.567 1.00 50.00 H -ATOM 712 3HD2 LEU A 43 13.470 -0.794 7.859 1.00 50.00 H -ATOM 713 N ALA A 44 14.945 5.401 9.196 1.00 50.00 N -ATOM 714 CA ALA A 44 15.760 6.146 10.196 1.00 50.00 C -ATOM 715 C ALA A 44 14.835 6.805 11.222 1.00 50.00 C -ATOM 716 O ALA A 44 15.270 7.261 12.261 1.00 50.00 O -ATOM 717 CB ALA A 44 16.585 7.221 9.486 1.00 50.00 C -ATOM 718 H ALA A 44 14.757 5.802 8.321 1.00 50.00 H -ATOM 719 HA ALA A 44 16.423 5.457 10.700 1.00 50.00 H -ATOM 720 1HB ALA A 44 16.074 7.530 8.586 1.00 50.00 H -ATOM 721 2HB ALA A 44 16.707 8.071 10.141 1.00 50.00 H -ATOM 722 3HB ALA A 44 17.555 6.821 9.231 1.00 50.00 H -ATOM 723 N HIS A 45 13.561 6.858 10.937 1.00 50.00 N -ATOM 724 CA HIS A 45 12.602 7.485 11.894 1.00 50.00 C -ATOM 725 C HIS A 45 12.691 9.009 11.785 1.00 50.00 C -ATOM 726 O HIS A 45 13.696 9.608 12.110 1.00 50.00 O -ATOM 727 CB HIS A 45 12.948 7.057 13.321 1.00 50.00 C -ATOM 728 CG HIS A 45 11.681 6.764 14.080 1.00 50.00 C -ATOM 729 ND1 HIS A 45 11.040 5.538 14.002 1.00 50.00 N -ATOM 730 CD2 HIS A 45 10.926 7.528 14.935 1.00 50.00 C -ATOM 731 CE1 HIS A 45 9.951 5.599 14.791 1.00 50.00 C -ATOM 732 NE2 HIS A 45 9.835 6.791 15.383 1.00 50.00 N -ATOM 733 H HIS A 45 13.233 6.483 10.094 1.00 50.00 H -ATOM 734 HA HIS A 45 11.598 7.166 11.656 1.00 50.00 H -ATOM 735 1HB HIS A 45 13.562 6.168 13.291 1.00 50.00 H -ATOM 736 2HB HIS A 45 13.486 7.851 13.815 1.00 50.00 H -ATOM 737 HD1 HIS A 45 11.326 4.766 13.471 1.00 50.00 H -ATOM 738 HD2 HIS A 45 11.148 8.546 15.218 1.00 50.00 H -ATOM 739 HE1 HIS A 45 9.257 4.783 14.931 1.00 50.00 H -ATOM 740 N HIS A 46 11.642 9.641 11.330 1.00 50.00 N -ATOM 741 CA HIS A 46 11.663 11.126 11.202 1.00 50.00 C -ATOM 742 C HIS A 46 10.453 11.584 10.386 1.00 50.00 C -ATOM 743 O HIS A 46 10.539 12.499 9.591 1.00 50.00 O -ATOM 744 CB HIS A 46 12.947 11.562 10.496 1.00 50.00 C -ATOM 745 CG HIS A 46 13.878 12.195 11.493 1.00 50.00 C -ATOM 746 ND1 HIS A 46 15.168 11.734 11.697 1.00 50.00 N -ATOM 747 CD2 HIS A 46 13.718 13.256 12.350 1.00 50.00 C -ATOM 748 CE1 HIS A 46 15.731 12.506 12.643 1.00 50.00 C -ATOM 749 NE2 HIS A 46 14.890 13.450 13.076 1.00 50.00 N -ATOM 750 H HIS A 46 10.841 9.139 11.075 1.00 50.00 H -ATOM 751 HA HIS A 46 11.623 11.573 12.185 1.00 50.00 H -ATOM 752 1HB HIS A 46 13.425 10.700 10.053 1.00 50.00 H -ATOM 753 2HB HIS A 46 12.708 12.277 9.722 1.00 50.00 H -ATOM 754 HD1 HIS A 46 15.594 10.982 11.234 1.00 50.00 H -ATOM 755 HD2 HIS A 46 12.821 13.848 12.447 1.00 50.00 H -ATOM 756 HE1 HIS A 46 16.739 12.379 13.009 1.00 50.00 H -ATOM 757 N PHE A 47 9.325 10.955 10.575 1.00 50.00 N -ATOM 758 CA PHE A 47 8.112 11.355 9.808 1.00 50.00 C -ATOM 759 C PHE A 47 6.882 11.261 10.712 1.00 50.00 C -ATOM 760 O PHE A 47 6.497 12.218 11.354 1.00 50.00 O -ATOM 761 CB PHE A 47 7.938 10.421 8.609 1.00 50.00 C -ATOM 762 CG PHE A 47 8.436 11.107 7.359 1.00 50.00 C -ATOM 763 CD1 PHE A 47 9.807 11.315 7.173 1.00 50.00 C -ATOM 764 CD2 PHE A 47 7.524 11.534 6.387 1.00 50.00 C -ATOM 765 CE1 PHE A 47 10.268 11.950 6.014 1.00 50.00 C -ATOM 766 CE2 PHE A 47 7.985 12.169 5.227 1.00 50.00 C -ATOM 767 CZ PHE A 47 9.357 12.377 5.040 1.00 50.00 C -ATOM 768 H PHE A 47 9.277 10.218 11.220 1.00 50.00 H -ATOM 769 HA PHE A 47 8.226 12.371 9.459 1.00 50.00 H -ATOM 770 1HB PHE A 47 8.505 9.516 8.773 1.00 50.00 H -ATOM 771 2HB PHE A 47 6.893 10.175 8.492 1.00 50.00 H -ATOM 772 HD1 PHE A 47 10.510 10.985 7.923 1.00 50.00 H -ATOM 773 HD2 PHE A 47 6.466 11.374 6.530 1.00 50.00 H -ATOM 774 HE1 PHE A 47 11.326 12.110 5.870 1.00 50.00 H -ATOM 775 HE2 PHE A 47 7.282 12.498 4.476 1.00 50.00 H -ATOM 776 HZ PHE A 47 9.712 12.867 4.145 1.00 50.00 H -ATOM 777 N SER A 48 6.261 10.114 10.769 1.00 50.00 N -ATOM 778 CA SER A 48 5.057 9.961 11.633 1.00 50.00 C -ATOM 779 C SER A 48 5.489 9.555 13.043 1.00 50.00 C -ATOM 780 O SER A 48 5.878 8.430 13.285 1.00 50.00 O -ATOM 781 CB SER A 48 4.145 8.883 11.047 1.00 50.00 C -ATOM 782 OG SER A 48 3.607 9.343 9.814 1.00 50.00 O -ATOM 783 H SER A 48 6.587 9.354 10.243 1.00 50.00 H -ATOM 784 HA SER A 48 4.523 10.899 11.676 1.00 50.00 H -ATOM 785 1HB SER A 48 4.713 7.985 10.873 1.00 50.00 H -ATOM 786 2HB SER A 48 3.345 8.672 11.745 1.00 50.00 H -ATOM 787 HG SER A 48 3.215 10.207 9.965 1.00 50.00 H -ATOM 788 N GLU A 49 5.424 10.465 13.977 1.00 0.00 N -ATOM 789 CA GLU A 49 5.831 10.134 15.371 1.00 0.00 C -ATOM 790 C GLU A 49 4.836 9.143 15.986 1.00 0.00 C -ATOM 791 O GLU A 49 5.227 8.092 16.453 1.00 0.00 O -ATOM 792 CB GLU A 49 5.867 11.414 16.210 1.00 0.00 C -ATOM 793 CG GLU A 49 7.321 11.828 16.447 1.00 0.00 C -ATOM 794 CD GLU A 49 7.751 12.827 15.371 1.00 0.00 C -ATOM 795 OE1 GLU A 49 7.075 13.831 15.219 1.00 0.00 O -ATOM 796 OE2 GLU A 49 8.748 12.570 14.716 1.00 0.00 O -ATOM 797 H GLU A 49 5.108 11.367 13.760 1.00 0.00 H -ATOM 798 HA GLU A 49 6.815 9.689 15.358 1.00 0.00 H -ATOM 799 1HB GLU A 49 5.348 12.202 15.685 1.00 0.00 H -ATOM 800 2HB GLU A 49 5.386 11.235 17.159 1.00 0.00 H -ATOM 801 1HG GLU A 49 7.411 12.287 17.421 1.00 0.00 H -ATOM 802 2HG GLU A 49 7.957 10.956 16.400 1.00 0.00 H -ATOM 803 N PRO A 50 3.576 9.506 15.974 1.00 0.00 N -ATOM 804 CA PRO A 50 2.512 8.653 16.536 1.00 0.00 C -ATOM 805 C PRO A 50 2.466 7.303 15.812 1.00 0.00 C -ATOM 806 O PRO A 50 2.901 7.176 14.683 1.00 0.00 O -ATOM 807 CB PRO A 50 1.213 9.437 16.302 1.00 0.00 C -ATOM 808 CG PRO A 50 1.588 10.778 15.622 1.00 0.00 C -ATOM 809 CD PRO A 50 3.110 10.785 15.405 1.00 0.00 C -ATOM 810 HA PRO A 50 2.666 8.508 17.594 1.00 0.00 H -ATOM 811 1HB PRO A 50 0.555 8.868 15.659 1.00 0.00 H -ATOM 812 2HB PRO A 50 0.728 9.633 17.245 1.00 0.00 H -ATOM 813 1HG PRO A 50 1.081 10.861 14.671 1.00 0.00 H -ATOM 814 2HG PRO A 50 1.310 11.603 16.260 1.00 0.00 H -ATOM 815 1HD PRO A 50 3.333 10.836 14.349 1.00 0.00 H -ATOM 816 2HD PRO A 50 3.561 11.612 15.930 1.00 0.00 H -ATOM 817 N GLU A 51 1.940 6.296 16.454 1.00 0.00 N -ATOM 818 CA GLU A 51 1.864 4.955 15.808 1.00 0.00 C -ATOM 819 C GLU A 51 0.907 5.007 14.616 1.00 0.00 C -ATOM 820 O GLU A 51 1.324 4.983 13.476 1.00 0.00 O -ATOM 821 CB GLU A 51 1.354 3.929 16.821 1.00 0.00 C -ATOM 822 CG GLU A 51 2.332 3.834 17.993 1.00 0.00 C -ATOM 823 CD GLU A 51 1.565 3.975 19.308 1.00 0.00 C -ATOM 824 OE1 GLU A 51 0.939 5.004 19.498 1.00 0.00 O -ATOM 825 OE2 GLU A 51 1.616 3.051 20.103 1.00 0.00 O -ATOM 826 H GLU A 51 1.595 6.422 17.362 1.00 0.00 H -ATOM 827 HA GLU A 51 2.847 4.664 15.467 1.00 0.00 H -ATOM 828 1HB GLU A 51 0.383 4.236 17.185 1.00 0.00 H -ATOM 829 2HB GLU A 51 1.270 2.963 16.345 1.00 0.00 H -ATOM 830 1HG GLU A 51 2.831 2.876 17.966 1.00 0.00 H -ATOM 831 2HG GLU A 51 3.063 4.624 17.917 1.00 0.00 H -ATOM 832 N ILE A 52 -0.374 5.068 14.874 1.00 50.00 N -ATOM 833 CA ILE A 52 -1.367 5.112 13.766 1.00 50.00 C -ATOM 834 C ILE A 52 -0.853 6.001 12.631 1.00 50.00 C -ATOM 835 O ILE A 52 -0.984 5.675 11.467 1.00 50.00 O -ATOM 836 CB ILE A 52 -2.692 5.662 14.302 1.00 50.00 C -ATOM 837 CG1 ILE A 52 -3.814 5.264 13.351 1.00 50.00 C -ATOM 838 CG2 ILE A 52 -2.627 7.189 14.409 1.00 50.00 C -ATOM 839 CD1 ILE A 52 -4.804 4.363 14.087 1.00 50.00 C -ATOM 840 H ILE A 52 -0.685 5.079 15.801 1.00 50.00 H -ATOM 841 HA ILE A 52 -1.525 4.111 13.392 1.00 50.00 H -ATOM 842 HB ILE A 52 -2.887 5.244 15.279 1.00 50.00 H -ATOM 843 1HG1 ILE A 52 -4.320 6.151 13.000 1.00 50.00 H -ATOM 844 2HG1 ILE A 52 -3.396 4.729 12.512 1.00 50.00 H -ATOM 845 1HG2 ILE A 52 -1.726 7.475 14.929 1.00 50.00 H -ATOM 846 2HG2 ILE A 52 -2.623 7.619 13.418 1.00 50.00 H -ATOM 847 3HG2 ILE A 52 -3.487 7.549 14.953 1.00 50.00 H -ATOM 848 1HD1 ILE A 52 -4.282 3.807 14.852 1.00 50.00 H -ATOM 849 2HD1 ILE A 52 -5.573 4.969 14.544 1.00 50.00 H -ATOM 850 3HD1 ILE A 52 -5.256 3.675 13.387 1.00 50.00 H -ATOM 851 N THR A 53 -0.268 7.118 12.958 1.00 50.00 N -ATOM 852 CA THR A 53 0.256 8.023 11.896 1.00 50.00 C -ATOM 853 C THR A 53 1.333 7.292 11.090 1.00 50.00 C -ATOM 854 O THR A 53 1.343 7.327 9.874 1.00 50.00 O -ATOM 855 CB THR A 53 0.847 9.286 12.533 1.00 50.00 C -ATOM 856 OG1 THR A 53 1.523 8.946 13.737 1.00 50.00 O -ATOM 857 CG2 THR A 53 -0.276 10.276 12.839 1.00 50.00 C -ATOM 858 H THR A 53 -0.170 7.363 13.901 1.00 50.00 H -ATOM 859 HA THR A 53 -0.554 8.302 11.237 1.00 50.00 H -ATOM 860 HB THR A 53 1.544 9.741 11.847 1.00 50.00 H -ATOM 861 HG1 THR A 53 1.591 7.992 13.783 1.00 50.00 H -ATOM 862 1HG2 THR A 53 -1.138 10.041 12.234 1.00 50.00 H -ATOM 863 2HG2 THR A 53 -0.541 10.209 13.884 1.00 50.00 H -ATOM 864 3HG2 THR A 53 0.057 11.279 12.617 1.00 50.00 H -ATOM 865 N LEU A 54 2.250 6.639 11.749 1.00 50.00 N -ATOM 866 CA LEU A 54 3.319 5.923 10.997 1.00 50.00 C -ATOM 867 C LEU A 54 2.749 4.655 10.362 1.00 50.00 C -ATOM 868 O LEU A 54 2.981 4.385 9.202 1.00 50.00 O -ATOM 869 CB LEU A 54 4.460 5.541 11.947 1.00 50.00 C -ATOM 870 CG LEU A 54 5.801 5.645 11.214 1.00 50.00 C -ATOM 871 CD1 LEU A 54 6.877 4.911 12.016 1.00 50.00 C -ATOM 872 CD2 LEU A 54 5.685 5.009 9.825 1.00 50.00 C -ATOM 873 H LEU A 54 2.238 6.624 12.730 1.00 50.00 H -ATOM 874 HA LEU A 54 3.702 6.566 10.218 1.00 50.00 H -ATOM 875 1HB LEU A 54 4.463 6.210 12.795 1.00 50.00 H -ATOM 876 2HB LEU A 54 4.318 4.527 12.290 1.00 50.00 H -ATOM 877 HG LEU A 54 6.075 6.685 11.114 1.00 50.00 H -ATOM 878 1HD1 LEU A 54 6.444 4.521 12.925 1.00 50.00 H -ATOM 879 2HD1 LEU A 54 7.271 4.095 11.428 1.00 50.00 H -ATOM 880 3HD1 LEU A 54 7.674 5.596 12.261 1.00 50.00 H -ATOM 881 1HD2 LEU A 54 5.233 4.032 9.913 1.00 50.00 H -ATOM 882 2HD2 LEU A 54 5.072 5.635 9.194 1.00 50.00 H -ATOM 883 3HD2 LEU A 54 6.669 4.913 9.391 1.00 50.00 H -ATOM 884 N ILE A 55 2.014 3.863 11.097 1.00 50.00 N -ATOM 885 CA ILE A 55 1.463 2.621 10.485 1.00 50.00 C -ATOM 886 C ILE A 55 0.616 2.986 9.264 1.00 50.00 C -ATOM 887 O ILE A 55 0.783 2.429 8.196 1.00 50.00 O -ATOM 888 CB ILE A 55 0.593 1.885 11.506 1.00 50.00 C -ATOM 889 CG1 ILE A 55 1.424 1.569 12.752 1.00 50.00 C -ATOM 890 CG2 ILE A 55 0.078 0.582 10.891 1.00 50.00 C -ATOM 891 CD1 ILE A 55 0.493 1.180 13.901 1.00 50.00 C -ATOM 892 H ILE A 55 1.832 4.078 12.036 1.00 50.00 H -ATOM 893 HA ILE A 55 2.277 1.981 10.179 1.00 50.00 H -ATOM 894 HB ILE A 55 -0.246 2.508 11.781 1.00 50.00 H -ATOM 895 1HG1 ILE A 55 2.095 0.750 12.537 1.00 50.00 H -ATOM 896 2HG1 ILE A 55 1.996 2.440 13.033 1.00 50.00 H -ATOM 897 1HG2 ILE A 55 -0.424 0.799 9.960 1.00 50.00 H -ATOM 898 2HG2 ILE A 55 0.910 -0.081 10.706 1.00 50.00 H -ATOM 899 3HG2 ILE A 55 -0.614 0.112 11.573 1.00 50.00 H -ATOM 900 1HD1 ILE A 55 -0.496 0.980 13.512 1.00 50.00 H -ATOM 901 2HD1 ILE A 55 0.873 0.294 14.389 1.00 50.00 H -ATOM 902 3HD1 ILE A 55 0.441 1.990 14.614 1.00 50.00 H -ATOM 903 N ILE A 56 -0.272 3.938 9.397 1.00 50.00 N -ATOM 904 CA ILE A 56 -1.092 4.344 8.222 1.00 50.00 C -ATOM 905 C ILE A 56 -0.154 4.797 7.104 1.00 50.00 C -ATOM 906 O ILE A 56 -0.285 4.401 5.961 1.00 50.00 O -ATOM 907 CB ILE A 56 -2.051 5.475 8.611 1.00 50.00 C -ATOM 908 CG1 ILE A 56 -3.076 5.680 7.493 1.00 50.00 C -ATOM 909 CG2 ILE A 56 -1.276 6.773 8.831 1.00 50.00 C -ATOM 910 CD1 ILE A 56 -4.484 5.462 8.048 1.00 50.00 C -ATOM 911 H ILE A 56 -0.382 4.394 10.258 1.00 50.00 H -ATOM 912 HA ILE A 56 -1.664 3.493 7.879 1.00 50.00 H -ATOM 913 HB ILE A 56 -2.563 5.209 9.522 1.00 50.00 H -ATOM 914 1HG1 ILE A 56 -2.991 6.685 7.106 1.00 50.00 H -ATOM 915 2HG1 ILE A 56 -2.890 4.970 6.700 1.00 50.00 H -ATOM 916 1HG2 ILE A 56 -0.760 7.045 7.924 1.00 50.00 H -ATOM 917 2HG2 ILE A 56 -1.964 7.560 9.103 1.00 50.00 H -ATOM 918 3HG2 ILE A 56 -0.563 6.630 9.626 1.00 50.00 H -ATOM 919 1HD1 ILE A 56 -4.422 4.972 9.008 1.00 50.00 H -ATOM 920 2HD1 ILE A 56 -4.978 6.416 8.162 1.00 50.00 H -ATOM 921 3HD1 ILE A 56 -5.049 4.845 7.365 1.00 50.00 H -ATOM 922 N PHE A 57 0.802 5.624 7.438 1.00 50.00 N -ATOM 923 CA PHE A 57 1.770 6.113 6.413 1.00 50.00 C -ATOM 924 C PHE A 57 2.465 4.923 5.758 1.00 50.00 C -ATOM 925 O PHE A 57 2.591 4.852 4.552 1.00 50.00 O -ATOM 926 CB PHE A 57 2.821 7.018 7.066 1.00 50.00 C -ATOM 927 CG PHE A 57 2.475 8.464 6.792 1.00 50.00 C -ATOM 928 CD1 PHE A 57 1.389 9.059 7.443 1.00 50.00 C -ATOM 929 CD2 PHE A 57 3.242 9.206 5.885 1.00 50.00 C -ATOM 930 CE1 PHE A 57 1.068 10.398 7.188 1.00 50.00 C -ATOM 931 CE2 PHE A 57 2.920 10.546 5.631 1.00 50.00 C -ATOM 932 CZ PHE A 57 1.834 11.141 6.282 1.00 50.00 C -ATOM 933 H PHE A 57 0.880 5.921 8.370 1.00 50.00 H -ATOM 934 HA PHE A 57 1.235 6.674 5.659 1.00 50.00 H -ATOM 935 1HB PHE A 57 2.840 6.848 8.133 1.00 50.00 H -ATOM 936 2HB PHE A 57 3.792 6.799 6.650 1.00 50.00 H -ATOM 937 HD1 PHE A 57 0.797 8.485 8.142 1.00 50.00 H -ATOM 938 HD2 PHE A 57 4.080 8.747 5.384 1.00 50.00 H -ATOM 939 HE1 PHE A 57 0.229 10.857 7.691 1.00 50.00 H -ATOM 940 HE2 PHE A 57 3.512 11.118 4.931 1.00 50.00 H -ATOM 941 HZ PHE A 57 1.586 12.173 6.085 1.00 50.00 H -ATOM 942 N GLY A 58 2.926 3.987 6.541 1.00 50.00 N -ATOM 943 CA GLY A 58 3.621 2.807 5.957 1.00 50.00 C -ATOM 944 C GLY A 58 2.695 2.119 4.956 1.00 50.00 C -ATOM 945 O GLY A 58 3.091 1.801 3.854 1.00 50.00 O -ATOM 946 H GLY A 58 2.823 4.065 7.514 1.00 50.00 H -ATOM 947 1HA GLY A 58 4.522 3.132 5.453 1.00 50.00 H -ATOM 948 2HA GLY A 58 3.879 2.113 6.743 1.00 50.00 H -ATOM 949 N VAL A 59 1.460 1.893 5.318 1.00 50.00 N -ATOM 950 CA VAL A 59 0.530 1.234 4.359 1.00 50.00 C -ATOM 951 C VAL A 59 0.476 2.069 3.078 1.00 50.00 C -ATOM 952 O VAL A 59 0.616 1.557 1.982 1.00 50.00 O -ATOM 953 CB VAL A 59 -0.861 1.146 4.986 1.00 50.00 C -ATOM 954 CG1 VAL A 59 -1.835 0.522 3.985 1.00 50.00 C -ATOM 955 CG2 VAL A 59 -0.791 0.275 6.244 1.00 50.00 C -ATOM 956 H VAL A 59 1.148 2.159 6.208 1.00 50.00 H -ATOM 957 HA VAL A 59 0.885 0.243 4.129 1.00 50.00 H -ATOM 958 HB VAL A 59 -1.201 2.138 5.249 1.00 50.00 H -ATOM 959 1HG1 VAL A 59 -1.462 0.668 2.982 1.00 50.00 H -ATOM 960 2HG1 VAL A 59 -1.927 -0.536 4.185 1.00 50.00 H -ATOM 961 3HG1 VAL A 59 -2.802 0.994 4.083 1.00 50.00 H -ATOM 962 1HG2 VAL A 59 0.219 0.277 6.628 1.00 50.00 H -ATOM 963 2HG2 VAL A 59 -1.462 0.669 6.993 1.00 50.00 H -ATOM 964 3HG2 VAL A 59 -1.080 -0.737 5.998 1.00 50.00 H -ATOM 965 N MET A 60 0.305 3.357 3.208 1.00 50.00 N -ATOM 966 CA MET A 60 0.280 4.228 2.000 1.00 50.00 C -ATOM 967 C MET A 60 1.593 4.045 1.238 1.00 50.00 C -ATOM 968 O MET A 60 1.615 3.860 0.036 1.00 50.00 O -ATOM 969 CB MET A 60 0.132 5.690 2.428 1.00 50.00 C -ATOM 970 CG MET A 60 -1.175 5.866 3.203 1.00 50.00 C -ATOM 971 SD MET A 60 -1.605 7.623 3.273 1.00 50.00 S -ATOM 972 CE MET A 60 -0.141 8.182 4.180 1.00 50.00 C -ATOM 973 H MET A 60 0.218 3.753 4.101 1.00 50.00 H -ATOM 974 HA MET A 60 -0.550 3.948 1.367 1.00 50.00 H -ATOM 975 1HB MET A 60 0.966 5.966 3.057 1.00 50.00 H -ATOM 976 2HB MET A 60 0.117 6.322 1.552 1.00 50.00 H -ATOM 977 1HG MET A 60 -1.965 5.323 2.705 1.00 50.00 H -ATOM 978 2HG MET A 60 -1.053 5.485 4.205 1.00 50.00 H -ATOM 979 1HE MET A 60 0.745 7.763 3.725 1.00 50.00 H -ATOM 980 2HE MET A 60 -0.085 9.257 4.147 1.00 50.00 H -ATOM 981 3HE MET A 60 -0.211 7.857 5.210 1.00 50.00 H -ATOM 982 N ALA A 61 2.689 4.093 1.946 1.00 50.00 N -ATOM 983 CA ALA A 61 4.020 3.922 1.300 1.00 50.00 C -ATOM 984 C ALA A 61 4.071 2.579 0.564 1.00 50.00 C -ATOM 985 O ALA A 61 4.520 2.504 -0.563 1.00 50.00 O -ATOM 986 CB ALA A 61 5.132 3.997 2.357 1.00 50.00 C -ATOM 987 H ALA A 61 2.636 4.239 2.912 1.00 50.00 H -ATOM 988 HA ALA A 61 4.164 4.718 0.583 1.00 50.00 H -ATOM 989 1HB ALA A 61 4.700 3.938 3.346 1.00 50.00 H -ATOM 990 2HB ALA A 61 5.827 3.183 2.216 1.00 50.00 H -ATOM 991 3HB ALA A 61 5.657 4.936 2.255 1.00 50.00 H -ATOM 992 N GLY A 62 3.630 1.511 1.183 1.00 50.00 N -ATOM 993 CA GLY A 62 3.682 0.194 0.492 1.00 50.00 C -ATOM 994 C GLY A 62 2.921 0.286 -0.828 1.00 50.00 C -ATOM 995 O GLY A 62 3.406 -0.133 -1.860 1.00 50.00 O -ATOM 996 H GLY A 62 3.271 1.573 2.091 1.00 50.00 H -ATOM 997 1HA GLY A 62 4.713 -0.072 0.300 1.00 50.00 H -ATOM 998 2HA GLY A 62 3.225 -0.559 1.116 1.00 50.00 H -ATOM 999 N VAL A 63 1.738 0.838 -0.817 1.00 50.00 N -ATOM 1000 CA VAL A 63 0.980 0.953 -2.095 1.00 50.00 C -ATOM 1001 C VAL A 63 1.825 1.734 -3.108 1.00 50.00 C -ATOM 1002 O VAL A 63 1.984 1.329 -4.243 1.00 50.00 O -ATOM 1003 CB VAL A 63 -0.337 1.692 -1.851 1.00 50.00 C -ATOM 1004 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 50.00 C -ATOM 1005 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 50.00 C -ATOM 1006 H VAL A 63 1.355 1.179 0.022 1.00 50.00 H -ATOM 1007 HA VAL A 63 0.774 -0.035 -2.481 1.00 50.00 H -ATOM 1008 HB VAL A 63 -0.128 2.685 -1.480 1.00 50.00 H -ATOM 1009 1HG1 VAL A 63 -0.468 2.167 -3.940 1.00 50.00 H -ATOM 1010 2HG1 VAL A 63 -1.483 0.814 -3.439 1.00 50.00 H -ATOM 1011 3HG1 VAL A 63 -1.952 2.465 -3.034 1.00 50.00 H -ATOM 1012 1HG2 VAL A 63 -1.152 -0.129 -1.058 1.00 50.00 H -ATOM 1013 2HG2 VAL A 63 -0.755 1.080 0.164 1.00 50.00 H -ATOM 1014 3HG2 VAL A 63 -2.188 1.281 -0.844 1.00 50.00 H -ATOM 1015 N ILE A 64 2.377 2.848 -2.700 1.00 50.00 N -ATOM 1016 CA ILE A 64 3.220 3.652 -3.630 1.00 50.00 C -ATOM 1017 C ILE A 64 4.373 2.794 -4.161 1.00 50.00 C -ATOM 1018 O ILE A 64 4.652 2.776 -5.343 1.00 50.00 O -ATOM 1019 CB ILE A 64 3.785 4.863 -2.886 1.00 50.00 C -ATOM 1020 CG1 ILE A 64 2.645 5.822 -2.537 1.00 50.00 C -ATOM 1021 CG2 ILE A 64 4.800 5.581 -3.777 1.00 50.00 C -ATOM 1022 CD1 ILE A 64 3.053 6.690 -1.345 1.00 50.00 C -ATOM 1023 H ILE A 64 2.238 3.156 -1.779 1.00 50.00 H -ATOM 1024 HA ILE A 64 2.615 3.992 -4.458 1.00 50.00 H -ATOM 1025 HB ILE A 64 4.272 4.533 -1.979 1.00 50.00 H -ATOM 1026 1HG1 ILE A 64 2.434 6.454 -3.388 1.00 50.00 H -ATOM 1027 2HG1 ILE A 64 1.763 5.255 -2.281 1.00 50.00 H -ATOM 1028 1HG2 ILE A 64 4.393 5.692 -4.771 1.00 50.00 H -ATOM 1029 2HG2 ILE A 64 5.014 6.556 -3.366 1.00 50.00 H -ATOM 1030 3HG2 ILE A 64 5.712 5.003 -3.824 1.00 50.00 H -ATOM 1031 1HD1 ILE A 64 3.602 6.090 -0.634 1.00 50.00 H -ATOM 1032 2HD1 ILE A 64 3.677 7.503 -1.688 1.00 50.00 H -ATOM 1033 3HD1 ILE A 64 2.169 7.090 -0.873 1.00 50.00 H -ATOM 1034 N GLY A 65 5.053 2.091 -3.294 1.00 50.00 N -ATOM 1035 CA GLY A 65 6.193 1.245 -3.750 1.00 50.00 C -ATOM 1036 C GLY A 65 5.711 0.257 -4.810 1.00 50.00 C -ATOM 1037 O GLY A 65 6.327 0.097 -5.845 1.00 50.00 O -ATOM 1038 H GLY A 65 4.820 2.123 -2.344 1.00 50.00 H -ATOM 1039 1HA GLY A 65 6.963 1.877 -4.168 1.00 50.00 H -ATOM 1040 2HA GLY A 65 6.593 0.699 -2.909 1.00 50.00 H -ATOM 1041 N THR A 66 4.615 -0.409 -4.567 1.00 50.00 N -ATOM 1042 CA THR A 66 4.107 -1.382 -5.573 1.00 50.00 C -ATOM 1043 C THR A 66 3.892 -0.660 -6.903 1.00 50.00 C -ATOM 1044 O THR A 66 4.305 -1.126 -7.947 1.00 50.00 O -ATOM 1045 CB THR A 66 2.780 -1.974 -5.091 1.00 50.00 C -ATOM 1046 OG1 THR A 66 2.935 -2.460 -3.763 1.00 50.00 O -ATOM 1047 CG2 THR A 66 2.371 -3.123 -6.014 1.00 50.00 C -ATOM 1048 H THR A 66 4.129 -0.268 -3.727 1.00 50.00 H -ATOM 1049 HA THR A 66 4.829 -2.174 -5.705 1.00 50.00 H -ATOM 1050 HB THR A 66 2.017 -1.213 -5.109 1.00 50.00 H -ATOM 1051 HG1 THR A 66 3.028 -1.704 -3.179 1.00 50.00 H -ATOM 1052 1HG2 THR A 66 2.425 -2.795 -7.042 1.00 50.00 H -ATOM 1053 2HG2 THR A 66 3.041 -3.958 -5.868 1.00 50.00 H -ATOM 1054 3HG2 THR A 66 1.361 -3.428 -5.786 1.00 50.00 H -ATOM 1055 N ILE A 67 3.256 0.481 -6.875 1.00 50.00 N -ATOM 1056 CA ILE A 67 3.029 1.232 -8.141 1.00 50.00 C -ATOM 1057 C ILE A 67 4.377 1.506 -8.812 1.00 50.00 C -ATOM 1058 O ILE A 67 4.550 1.292 -9.996 1.00 50.00 O -ATOM 1059 CB ILE A 67 2.331 2.558 -7.830 1.00 50.00 C -ATOM 1060 CG1 ILE A 67 0.878 2.287 -7.431 1.00 50.00 C -ATOM 1061 CG2 ILE A 67 2.359 3.454 -9.069 1.00 50.00 C -ATOM 1062 CD1 ILE A 67 0.281 3.542 -6.791 1.00 50.00 C -ATOM 1063 H ILE A 67 2.936 0.844 -6.022 1.00 50.00 H -ATOM 1064 HA ILE A 67 2.409 0.645 -8.802 1.00 50.00 H -ATOM 1065 HB ILE A 67 2.843 3.053 -7.017 1.00 50.00 H -ATOM 1066 1HG1 ILE A 67 0.308 2.024 -8.309 1.00 50.00 H -ATOM 1067 2HG1 ILE A 67 0.845 1.473 -6.723 1.00 50.00 H -ATOM 1068 1HG2 ILE A 67 2.751 2.897 -9.907 1.00 50.00 H -ATOM 1069 2HG2 ILE A 67 1.356 3.785 -9.296 1.00 50.00 H -ATOM 1070 3HG2 ILE A 67 2.987 4.311 -8.880 1.00 50.00 H -ATOM 1071 1HD1 ILE A 67 0.898 3.850 -5.960 1.00 50.00 H -ATOM 1072 2HD1 ILE A 67 0.239 4.334 -7.522 1.00 50.00 H -ATOM 1073 3HD1 ILE A 67 -0.716 3.324 -6.437 1.00 50.00 H -ATOM 1074 N LEU A 68 5.335 1.973 -8.058 1.00 50.00 N -ATOM 1075 CA LEU A 68 6.676 2.257 -8.638 1.00 50.00 C -ATOM 1076 C LEU A 68 7.222 0.975 -9.283 1.00 50.00 C -ATOM 1077 O LEU A 68 7.717 0.988 -10.392 1.00 50.00 O -ATOM 1078 CB LEU A 68 7.606 2.778 -7.519 1.00 50.00 C -ATOM 1079 CG LEU A 68 8.904 1.964 -7.431 1.00 50.00 C -ATOM 1080 CD1 LEU A 68 9.801 2.296 -8.625 1.00 50.00 C -ATOM 1081 CD2 LEU A 68 9.635 2.314 -6.133 1.00 50.00 C -ATOM 1082 H LEU A 68 5.175 2.132 -7.105 1.00 50.00 H -ATOM 1083 HA LEU A 68 6.576 3.017 -9.400 1.00 50.00 H -ATOM 1084 1HB LEU A 68 7.854 3.810 -7.718 1.00 50.00 H -ATOM 1085 2HB LEU A 68 7.087 2.718 -6.572 1.00 50.00 H -ATOM 1086 HG LEU A 68 8.667 0.911 -7.439 1.00 50.00 H -ATOM 1087 1HD1 LEU A 68 9.770 3.358 -8.814 1.00 50.00 H -ATOM 1088 2HD1 LEU A 68 10.816 2.000 -8.406 1.00 50.00 H -ATOM 1089 3HD1 LEU A 68 9.451 1.764 -9.497 1.00 50.00 H -ATOM 1090 1HD2 LEU A 68 9.102 3.101 -5.619 1.00 50.00 H -ATOM 1091 2HD2 LEU A 68 9.685 1.440 -5.500 1.00 50.00 H -ATOM 1092 3HD2 LEU A 68 10.636 2.649 -6.363 1.00 50.00 H -ATOM 1093 N LEU A 69 7.140 -0.130 -8.592 1.00 50.00 N -ATOM 1094 CA LEU A 69 7.658 -1.407 -9.164 1.00 50.00 C -ATOM 1095 C LEU A 69 6.966 -1.686 -10.500 1.00 50.00 C -ATOM 1096 O LEU A 69 7.604 -2.009 -11.482 1.00 50.00 O -ATOM 1097 CB LEU A 69 7.375 -2.557 -8.193 1.00 50.00 C -ATOM 1098 CG LEU A 69 8.116 -3.813 -8.658 1.00 50.00 C -ATOM 1099 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 50.00 C -ATOM 1100 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 50.00 C -ATOM 1101 H LEU A 69 6.737 -0.118 -7.696 1.00 50.00 H -ATOM 1102 HA LEU A 69 8.725 -1.324 -9.325 1.00 50.00 H -ATOM 1103 1HB LEU A 69 7.714 -2.284 -7.204 1.00 50.00 H -ATOM 1104 2HB LEU A 69 6.314 -2.755 -8.168 1.00 50.00 H -ATOM 1105 HG LEU A 69 7.742 -4.112 -9.627 1.00 50.00 H -ATOM 1106 1HD1 LEU A 69 9.892 -2.804 -7.997 1.00 50.00 H -ATOM 1107 2HD1 LEU A 69 10.170 -4.432 -8.615 1.00 50.00 H -ATOM 1108 3HD1 LEU A 69 9.836 -3.111 -9.733 1.00 50.00 H -ATOM 1109 1HD2 LEU A 69 7.158 -4.628 -6.916 1.00 50.00 H -ATOM 1110 2HD2 LEU A 69 7.526 -5.818 -8.167 1.00 50.00 H -ATOM 1111 3HD2 LEU A 69 8.819 -5.175 -7.155 1.00 50.00 H -ATOM 1112 N ILE A 70 5.669 -1.563 -10.550 1.00 50.00 N -ATOM 1113 CA ILE A 70 4.949 -1.820 -11.829 1.00 50.00 C -ATOM 1114 C ILE A 70 5.506 -0.908 -12.918 1.00 50.00 C -ATOM 1115 O ILE A 70 5.807 -1.348 -14.009 1.00 50.00 O -ATOM 1116 CB ILE A 70 3.457 -1.543 -11.641 1.00 50.00 C -ATOM 1117 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 50.00 C -ATOM 1118 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 50.00 C -ATOM 1119 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 50.00 C -ATOM 1120 H ILE A 70 5.168 -1.298 -9.748 1.00 50.00 H -ATOM 1121 HA ILE A 70 5.091 -2.850 -12.123 1.00 50.00 H -ATOM 1122 HB ILE A 70 3.322 -0.529 -11.290 1.00 50.00 H -ATOM 1123 1HG1 ILE A 70 2.791 -3.500 -11.063 1.00 50.00 H -ATOM 1124 2HG1 ILE A 70 3.542 -2.576 -9.761 1.00 50.00 H -ATOM 1125 1HG2 ILE A 70 3.348 -2.305 -13.643 1.00 50.00 H -ATOM 1126 2HG2 ILE A 70 1.795 -2.234 -12.810 1.00 50.00 H -ATOM 1127 3HG2 ILE A 70 2.541 -0.755 -13.413 1.00 50.00 H -ATOM 1128 1HD1 ILE A 70 1.473 -0.956 -10.207 1.00 50.00 H -ATOM 1129 2HD1 ILE A 70 0.747 -2.446 -10.807 1.00 50.00 H -ATOM 1130 3HD1 ILE A 70 1.327 -2.356 -9.143 1.00 50.00 H -ATOM 1131 N SER A 71 5.656 0.357 -12.637 1.00 50.00 N -ATOM 1132 CA SER A 71 6.208 1.267 -13.675 1.00 50.00 C -ATOM 1133 C SER A 71 7.569 0.733 -14.108 1.00 50.00 C -ATOM 1134 O SER A 71 7.858 0.612 -15.282 1.00 50.00 O -ATOM 1135 CB SER A 71 6.367 2.674 -13.096 1.00 50.00 C -ATOM 1136 OG SER A 71 5.650 2.763 -11.872 1.00 50.00 O -ATOM 1137 H SER A 71 5.416 0.701 -11.751 1.00 50.00 H -ATOM 1138 HA SER A 71 5.541 1.295 -14.525 1.00 50.00 H -ATOM 1139 1HB SER A 71 7.410 2.872 -12.912 1.00 50.00 H -ATOM 1140 2HB SER A 71 5.984 3.398 -13.804 1.00 50.00 H -ATOM 1141 HG SER A 71 6.131 3.354 -11.290 1.00 50.00 H -ATOM 1142 N TYR A 72 8.404 0.395 -13.164 1.00 50.00 N -ATOM 1143 CA TYR A 72 9.740 -0.152 -13.517 1.00 50.00 C -ATOM 1144 C TYR A 72 9.564 -1.398 -14.390 1.00 50.00 C -ATOM 1145 O TYR A 72 10.198 -1.543 -15.415 1.00 50.00 O -ATOM 1146 CB TYR A 72 10.492 -0.525 -12.239 1.00 50.00 C -ATOM 1147 CG TYR A 72 11.736 0.323 -12.119 1.00 50.00 C -ATOM 1148 CD1 TYR A 72 11.626 1.696 -11.868 1.00 50.00 C -ATOM 1149 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 50.00 C -ATOM 1150 CE1 TYR A 72 12.780 2.482 -11.757 1.00 50.00 C -ATOM 1151 CE2 TYR A 72 14.152 0.521 -12.148 1.00 50.00 C -ATOM 1152 CZ TYR A 72 14.043 1.894 -11.896 1.00 50.00 C -ATOM 1153 OH TYR A 72 15.182 2.668 -11.786 1.00 50.00 O -ATOM 1154 H TYR A 72 8.145 0.492 -12.222 1.00 50.00 H -ATOM 1155 HA TYR A 72 10.302 0.594 -14.062 1.00 50.00 H -ATOM 1156 1HB TYR A 72 9.854 -0.352 -11.384 1.00 50.00 H -ATOM 1157 2HB TYR A 72 10.770 -1.567 -12.276 1.00 50.00 H -ATOM 1158 HD1 TYR A 72 10.652 2.150 -11.760 1.00 50.00 H -ATOM 1159 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 50.00 H -ATOM 1160 HE1 TYR A 72 12.696 3.541 -11.563 1.00 50.00 H -ATOM 1161 HE2 TYR A 72 15.127 0.067 -12.256 1.00 50.00 H -ATOM 1162 HH TYR A 72 15.556 2.523 -10.914 1.00 50.00 H -ATOM 1163 N GLY A 73 8.699 -2.298 -13.994 1.00 50.00 N -ATOM 1164 CA GLY A 73 8.481 -3.528 -14.806 1.00 50.00 C -ATOM 1165 C GLY A 73 8.060 -3.130 -16.219 1.00 50.00 C -ATOM 1166 O GLY A 73 8.584 -3.624 -17.197 1.00 50.00 O -ATOM 1167 H GLY A 73 8.193 -2.164 -13.166 1.00 50.00 H -ATOM 1168 1HA GLY A 73 9.397 -4.099 -14.848 1.00 50.00 H -ATOM 1169 2HA GLY A 73 7.703 -4.125 -14.357 1.00 50.00 H -ATOM 1170 N ILE A 74 7.121 -2.230 -16.334 1.00 0.00 N -ATOM 1171 CA ILE A 74 6.678 -1.795 -17.690 1.00 0.00 C -ATOM 1172 C ILE A 74 7.891 -1.262 -18.459 1.00 0.00 C -ATOM 1173 O ILE A 74 8.114 -1.609 -19.600 1.00 0.00 O -ATOM 1174 CB ILE A 74 5.607 -0.702 -17.560 1.00 0.00 C -ATOM 1175 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 0.00 C -ATOM 1176 CG2 ILE A 74 5.525 0.112 -18.855 1.00 0.00 C -ATOM 1177 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 0.00 C -ATOM 1178 H ILE A 74 6.712 -1.840 -15.529 1.00 0.00 H -ATOM 1179 HA ILE A 74 6.264 -2.643 -18.218 1.00 0.00 H -ATOM 1180 HB ILE A 74 5.858 -0.045 -16.740 1.00 0.00 H -ATOM 1181 1HG1 ILE A 74 3.476 -0.808 -17.814 1.00 0.00 H -ATOM 1182 2HG1 ILE A 74 4.266 -2.376 -17.649 1.00 0.00 H -ATOM 1183 1HG2 ILE A 74 5.698 -0.538 -19.700 1.00 0.00 H -ATOM 1184 2HG2 ILE A 74 4.544 0.557 -18.940 1.00 0.00 H -ATOM 1185 3HG2 ILE A 74 6.273 0.890 -18.840 1.00 0.00 H -ATOM 1186 1HD1 ILE A 74 4.355 -0.444 -15.355 1.00 0.00 H -ATOM 1187 2HD1 ILE A 74 2.890 -1.386 -15.633 1.00 0.00 H -ATOM 1188 3HD1 ILE A 74 4.421 -2.206 -15.332 1.00 0.00 H -ATOM 1189 N ARG A 75 8.676 -0.423 -17.840 1.00 0.00 N -ATOM 1190 CA ARG A 75 9.878 0.131 -18.532 1.00 0.00 C -ATOM 1191 C ARG A 75 10.776 -1.015 -18.998 1.00 0.00 C -ATOM 1192 O ARG A 75 11.228 -1.035 -20.125 1.00 0.00 O -ATOM 1193 CB ARG A 75 10.658 1.040 -17.578 1.00 0.00 C -ATOM 1194 CG ARG A 75 11.623 1.914 -18.382 1.00 0.00 C -ATOM 1195 CD ARG A 75 13.054 1.412 -18.184 1.00 0.00 C -ATOM 1196 NE ARG A 75 13.332 1.263 -16.727 1.00 0.00 N -ATOM 1197 CZ ARG A 75 14.366 0.573 -16.328 1.00 0.00 C -ATOM 1198 NH1 ARG A 75 15.557 0.864 -16.776 1.00 0.00 N -ATOM 1199 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 0.00 N -ATOM 1200 H ARG A 75 8.476 -0.160 -16.917 1.00 0.00 H -ATOM 1201 HA ARG A 75 9.559 0.701 -19.396 1.00 0.00 H -ATOM 1202 1HB ARG A 75 9.968 1.671 -17.035 1.00 0.00 H -ATOM 1203 2HB ARG A 75 11.219 0.435 -16.881 1.00 0.00 H -ATOM 1204 1HG ARG A 75 11.365 1.864 -19.430 1.00 0.00 H -ATOM 1205 2HG ARG A 75 11.551 2.936 -18.041 1.00 0.00 H -ATOM 1206 1HD ARG A 75 13.172 0.457 -18.673 1.00 0.00 H -ATOM 1207 2HD ARG A 75 13.748 2.123 -18.611 1.00 0.00 H -ATOM 1208 HE ARG A 75 12.738 1.680 -16.070 1.00 0.00 H -ATOM 1209 1HH1 ARG A 75 15.677 1.614 -17.426 1.00 0.00 H -ATOM 1210 2HH1 ARG A 75 16.349 0.335 -16.471 1.00 0.00 H -ATOM 1211 1HH2 ARG A 75 13.297 -0.628 -15.136 1.00 0.00 H -ATOM 1212 2HH2 ARG A 75 15.002 -0.934 -15.174 1.00 0.00 H -ATOM 1213 N ARG A 76 11.039 -1.973 -18.150 1.00 0.00 N -ATOM 1214 CA ARG A 76 11.906 -3.104 -18.580 1.00 0.00 C -ATOM 1215 C ARG A 76 11.275 -3.729 -19.819 1.00 0.00 C -ATOM 1216 O ARG A 76 11.926 -3.948 -20.820 1.00 0.00 O -ATOM 1217 CB ARG A 76 11.991 -4.145 -17.460 1.00 0.00 C -ATOM 1218 CG ARG A 76 13.012 -5.220 -17.838 1.00 0.00 C -ATOM 1219 CD ARG A 76 13.707 -5.731 -16.573 1.00 0.00 C -ATOM 1220 NE ARG A 76 14.771 -6.708 -16.944 1.00 0.00 N -ATOM 1221 CZ ARG A 76 14.588 -7.531 -17.942 1.00 0.00 C -ATOM 1222 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 0.00 N -ATOM 1223 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 0.00 N -ATOM 1224 H ARG A 76 10.666 -1.950 -17.243 1.00 0.00 H -ATOM 1225 HA ARG A 76 12.894 -2.738 -18.818 1.00 0.00 H -ATOM 1226 1HB ARG A 76 12.299 -3.662 -16.543 1.00 0.00 H -ATOM 1227 2HB ARG A 76 11.024 -4.602 -17.319 1.00 0.00 H -ATOM 1228 1HG ARG A 76 12.506 -6.040 -18.328 1.00 0.00 H -ATOM 1229 2HG ARG A 76 13.748 -4.800 -18.506 1.00 0.00 H -ATOM 1230 1HD ARG A 76 14.152 -4.900 -16.048 1.00 0.00 H -ATOM 1231 2HD ARG A 76 12.981 -6.214 -15.935 1.00 0.00 H -ATOM 1232 HE ARG A 76 15.611 -6.733 -16.438 1.00 0.00 H -ATOM 1233 1HH1 ARG A 76 13.523 -8.841 -16.865 1.00 0.00 H -ATOM 1234 2HH1 ARG A 76 13.765 -9.259 -18.529 1.00 0.00 H -ATOM 1235 1HH2 ARG A 76 15.610 -6.413 -19.253 1.00 0.00 H -ATOM 1236 2HH2 ARG A 76 14.946 -7.885 -19.880 1.00 0.00 H -ATOM 1237 N LEU A 77 9.997 -3.976 -19.771 1.00 0.00 N -ATOM 1238 CA LEU A 77 9.304 -4.538 -20.959 1.00 0.00 C -ATOM 1239 C LEU A 77 9.532 -3.582 -22.129 1.00 0.00 C -ATOM 1240 O LEU A 77 9.858 -3.993 -23.223 1.00 0.00 O -ATOM 1241 CB LEU A 77 7.806 -4.653 -20.673 1.00 0.00 C -ATOM 1242 CG LEU A 77 7.473 -6.083 -20.247 1.00 0.00 C -ATOM 1243 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 0.00 C -ATOM 1244 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 0.00 C -ATOM 1245 H LEU A 77 9.486 -3.761 -18.963 1.00 0.00 H -ATOM 1246 HA LEU A 77 9.710 -5.510 -21.195 1.00 0.00 H -ATOM 1247 1HB LEU A 77 7.537 -3.969 -19.881 1.00 0.00 H -ATOM 1248 2HB LEU A 77 7.249 -4.407 -21.565 1.00 0.00 H -ATOM 1249 HG LEU A 77 8.251 -6.454 -19.594 1.00 0.00 H -ATOM 1250 1HD1 LEU A 77 5.630 -5.153 -19.660 1.00 0.00 H -ATOM 1251 2HD1 LEU A 77 5.521 -6.900 -19.882 1.00 0.00 H -ATOM 1252 3HD1 LEU A 77 6.311 -6.240 -18.449 1.00 0.00 H -ATOM 1253 1HD2 LEU A 77 8.122 -6.669 -22.208 1.00 0.00 H -ATOM 1254 2HD2 LEU A 77 7.546 -8.001 -21.207 1.00 0.00 H -ATOM 1255 3HD2 LEU A 77 6.393 -6.876 -21.925 1.00 0.00 H -ATOM 1256 N ILE A 78 9.346 -2.306 -21.877 1.00 0.00 N -ATOM 1257 CA ILE A 78 9.524 -1.246 -22.916 1.00 0.00 C -ATOM 1258 C ILE A 78 8.176 -0.941 -23.564 1.00 0.00 C -ATOM 1259 O ILE A 78 7.685 -1.678 -24.395 1.00 0.00 O -ATOM 1260 CB ILE A 78 10.538 -1.679 -23.975 1.00 0.00 C -ATOM 1261 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 0.00 C -ATOM 1262 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 0.00 C -ATOM 1263 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 0.00 C -ATOM 1264 H ILE A 78 9.078 -2.040 -20.976 1.00 0.00 H -ATOM 1265 HA ILE A 78 9.885 -0.348 -22.433 1.00 0.00 H -ATOM 1266 HB ILE A 78 10.139 -2.498 -24.549 1.00 0.00 H -ATOM 1267 1HG1 ILE A 78 12.595 -1.363 -23.453 1.00 0.00 H -ATOM 1268 2HG1 ILE A 78 11.651 -2.190 -22.212 1.00 0.00 H -ATOM 1269 1HG2 ILE A 78 10.468 0.412 -24.455 1.00 0.00 H -ATOM 1270 2HG2 ILE A 78 11.895 -0.425 -25.067 1.00 0.00 H -ATOM 1271 3HG2 ILE A 78 10.332 -0.656 -25.851 1.00 0.00 H -ATOM 1272 1HD1 ILE A 78 11.693 -3.722 -24.683 1.00 0.00 H -ATOM 1273 2HD1 ILE A 78 13.331 -3.392 -24.117 1.00 0.00 H -ATOM 1274 3HD1 ILE A 78 12.181 -4.213 -23.061 1.00 0.00 H -ATOM 1275 N LYS A 79 7.572 0.147 -23.170 1.00 0.00 N -ATOM 1276 CA LYS A 79 6.247 0.522 -23.735 1.00 0.00 C -ATOM 1277 C LYS A 79 6.445 1.288 -25.045 1.00 0.00 C -ATOM 1278 O LYS A 79 7.143 2.281 -25.094 1.00 0.00 O -ATOM 1279 CB LYS A 79 5.505 1.407 -22.730 1.00 0.00 C -ATOM 1280 CG LYS A 79 3.998 1.172 -22.853 1.00 0.00 C -ATOM 1281 CD LYS A 79 3.248 2.201 -22.003 1.00 0.00 C -ATOM 1282 CE LYS A 79 2.282 2.990 -22.891 1.00 0.00 C -ATOM 1283 NZ LYS A 79 1.757 4.161 -22.134 1.00 0.00 N -ATOM 1284 H LYS A 79 7.993 0.717 -22.493 1.00 0.00 H -ATOM 1285 HA LYS A 79 5.669 -0.371 -23.923 1.00 0.00 H -ATOM 1286 1HB LYS A 79 5.829 1.162 -21.726 1.00 0.00 H -ATOM 1287 2HB LYS A 79 5.723 2.445 -22.934 1.00 0.00 H -ATOM 1288 1HG LYS A 79 3.702 1.271 -23.886 1.00 0.00 H -ATOM 1289 2HG LYS A 79 3.760 0.178 -22.503 1.00 0.00 H -ATOM 1290 1HD LYS A 79 2.693 1.693 -21.228 1.00 0.00 H -ATOM 1291 2HD LYS A 79 3.956 2.880 -21.553 1.00 0.00 H -ATOM 1292 1HE LYS A 79 2.803 3.334 -23.771 1.00 0.00 H -ATOM 1293 2HE LYS A 79 1.461 2.353 -23.183 1.00 0.00 H -ATOM 1294 1HZ LYS A 79 2.549 4.760 -21.827 1.00 0.00 H -ATOM 1295 2HZ LYS A 79 1.124 4.714 -22.746 1.00 0.00 H -ATOM 1296 3HZ LYS A 79 1.230 3.827 -21.301 1.00 0.00 H -ATOM 1297 N LYS A 80 5.839 0.828 -26.107 1.00 0.00 N -ATOM 1298 CA LYS A 80 5.992 1.524 -27.419 1.00 0.00 C -ATOM 1299 C LYS A 80 7.450 1.434 -27.874 1.00 0.00 C -ATOM 1300 O LYS A 80 7.894 2.347 -28.552 1.00 0.00 O -ATOM 1301 OXT LYS A 80 8.096 0.455 -27.539 1.00 0.00 O -ATOM 1302 CB LYS A 80 5.593 3.000 -27.279 1.00 0.00 C -ATOM 1303 CG LYS A 80 4.118 3.112 -26.883 1.00 0.00 C -ATOM 1304 CD LYS A 80 3.235 2.626 -28.036 1.00 0.00 C -ATOM 1305 CE LYS A 80 1.930 2.054 -27.477 1.00 0.00 C -ATOM 1306 NZ LYS A 80 1.045 3.172 -27.041 1.00 0.00 N -ATOM 1307 H LYS A 80 5.287 0.019 -26.042 1.00 0.00 H -ATOM 1308 HA LYS A 80 5.359 1.049 -28.154 1.00 0.00 H -ATOM 1309 1HB LYS A 80 6.206 3.467 -26.523 1.00 0.00 H -ATOM 1310 2HB LYS A 80 5.747 3.502 -28.223 1.00 0.00 H -ATOM 1311 1HG LYS A 80 3.930 2.510 -26.006 1.00 0.00 H -ATOM 1312 2HG LYS A 80 3.882 4.143 -26.666 1.00 0.00 H -ATOM 1313 1HD LYS A 80 3.014 3.455 -28.693 1.00 0.00 H -ATOM 1314 2HD LYS A 80 3.754 1.858 -28.589 1.00 0.00 H -ATOM 1315 1HE LYS A 80 1.432 1.480 -28.244 1.00 0.00 H -ATOM 1316 2HE LYS A 80 2.149 1.417 -26.633 1.00 0.00 H -ATOM 1317 1HZ LYS A 80 1.552 4.074 -27.134 1.00 0.00 H -ATOM 1318 2HZ LYS A 80 0.192 3.188 -27.637 1.00 0.00 H -ATOM 1319 3HZ LYS A 80 0.772 3.030 -26.048 1.00 0.00 H +REMARK 220 +REMARK 220 EXPERIMENTAL DETAILS +REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING +REMARK 220 DATE OF DATA COLLECTION : +REMARK 220 +REMARK 220 REMARK: MODEL GENERATED BY ROSETTA +REMARK 220 +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 50.00 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 50.00 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 50.00 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 50.00 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 50.00 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 50.00 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 50.00 C +ATOM 8 1H VAL A 1 11.881 16.294 -0.243 1.00 50.00 H +ATOM 9 2H VAL A 1 11.829 17.517 0.837 1.00 50.00 H +ATOM 10 3H VAL A 1 13.160 16.577 0.731 1.00 50.00 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 50.00 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 50.00 H +ATOM 13 1HG1 VAL A 1 14.041 15.107 1.752 1.00 50.00 H +ATOM 14 2HG1 VAL A 1 14.050 13.354 1.557 1.00 50.00 H +ATOM 15 3HG1 VAL A 1 13.820 14.397 0.153 1.00 50.00 H +ATOM 16 1HG2 VAL A 1 10.757 13.506 2.932 1.00 50.00 H +ATOM 17 2HG2 VAL A 1 11.938 12.323 2.372 1.00 50.00 H +ATOM 18 3HG2 VAL A 1 12.436 13.621 3.457 1.00 50.00 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 50.00 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 50.00 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 50.00 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 50.00 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 50.00 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 50.00 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 50.00 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 50.00 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 50.00 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 50.00 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 50.00 H +ATOM 30 1HB GLN A 2 12.118 19.447 4.404 1.00 50.00 H +ATOM 31 2HB GLN A 2 10.444 19.246 4.920 1.00 50.00 H +ATOM 32 1HG GLN A 2 11.997 20.559 6.499 1.00 50.00 H +ATOM 33 2HG GLN A 2 11.035 19.270 7.221 1.00 50.00 H +ATOM 34 1HE2 GLN A 2 13.868 17.501 8.313 1.00 50.00 H +ATOM 35 2HE2 GLN A 2 12.192 17.748 8.419 1.00 50.00 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 50.00 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 50.00 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 50.00 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 50.00 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 50.00 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 50.00 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 50.00 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 50.00 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 50.00 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 50.00 H +ATOM 46 1HB LEU A 3 11.006 14.353 7.407 1.00 50.00 H +ATOM 47 2HB LEU A 3 9.798 14.615 8.666 1.00 50.00 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 50.00 H +ATOM 49 1HD1 LEU A 3 11.219 12.297 6.318 1.00 50.00 H +ATOM 50 2HD1 LEU A 3 9.924 11.099 6.301 1.00 50.00 H +ATOM 51 3HD1 LEU A 3 9.724 12.628 5.443 1.00 50.00 H +ATOM 52 1HD2 LEU A 3 9.809 12.598 9.699 1.00 50.00 H +ATOM 53 2HD2 LEU A 3 9.612 11.061 8.856 1.00 50.00 H +ATOM 54 3HD2 LEU A 3 11.139 11.939 8.745 1.00 50.00 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 50.00 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 50.00 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 50.00 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 50.00 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 50.00 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 50.00 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 50.00 H +ATOM 62 1HB ALA A 4 5.481 16.332 7.735 1.00 50.00 H +ATOM 63 2HB ALA A 4 4.726 16.690 9.287 1.00 50.00 H +ATOM 64 3HB ALA A 4 5.478 17.983 8.353 1.00 50.00 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 50.00 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 50.00 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 50.00 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 50.00 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 50.00 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 50.00 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 50.00 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 50.00 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 50.00 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 50.00 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 50.00 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 50.00 H +ATOM 77 1HB HIS A 5 6.718 12.902 11.541 1.00 50.00 H +ATOM 78 2HB HIS A 5 6.612 12.797 13.298 1.00 50.00 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 50.00 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 50.00 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 50.00 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 0.00 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 0.00 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 0.00 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 0.00 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 0.00 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 0.00 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 0.00 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 0.00 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 0.00 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 0.00 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 0.00 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 0.00 H +ATOM 94 1HB HIS A 6 10.510 15.350 14.316 1.00 0.00 H +ATOM 95 2HB HIS A 6 11.169 14.900 15.889 1.00 0.00 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 0.00 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 0.00 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 0.00 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 0.00 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 0.00 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 0.00 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 0.00 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 0.00 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 0.00 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 0.00 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 0.00 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 0.00 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 0.00 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 0.00 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 0.00 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 0.00 H +ATOM 112 1HB PHE A 7 7.868 15.358 18.619 1.00 0.00 H +ATOM 113 2HB PHE A 7 7.640 14.399 20.081 1.00 0.00 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 0.00 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 0.00 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 0.00 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 0.00 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 0.00 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 0.00 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 0.00 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 0.00 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 0.00 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 0.00 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 0.00 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 0.00 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 0.00 H +ATOM 127 1HB SER A 8 5.243 10.099 20.834 1.00 0.00 H +ATOM 128 2HB SER A 8 5.897 11.728 20.968 1.00 0.00 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 0.00 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 0.00 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 0.00 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 0.00 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 0.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 0.00 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 0.00 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 0.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 0.00 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 0.00 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 0.00 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 0.00 H +ATOM 141 1HB GLU A 9 6.228 5.717 18.385 1.00 0.00 H +ATOM 142 2HB GLU A 9 6.813 5.694 16.722 1.00 0.00 H +ATOM 143 1HG GLU A 9 8.680 7.302 17.746 1.00 0.00 H +ATOM 144 2HG GLU A 9 8.253 6.447 19.228 1.00 0.00 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 0.00 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 0.00 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 0.00 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 0.00 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 0.00 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 0.00 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 0.00 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 0.00 H +ATOM 153 1HB PRO A 10 2.338 9.126 13.888 1.00 0.00 H +ATOM 154 2HB PRO A 10 1.972 10.228 15.221 1.00 0.00 H +ATOM 155 1HG PRO A 10 4.405 10.080 13.670 1.00 0.00 H +ATOM 156 2HG PRO A 10 4.020 11.198 14.984 1.00 0.00 H +ATOM 157 1HD PRO A 10 5.850 8.981 15.049 1.00 0.00 H +ATOM 158 2HD PRO A 10 5.426 10.077 16.380 1.00 0.00 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 0.00 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 0.00 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 0.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.00 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 0.00 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 0.00 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 0.00 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 0.00 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 0.00 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 0.00 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 0.00 H +ATOM 170 1HB GLU A 11 -0.348 4.785 16.531 1.00 0.00 H +ATOM 171 2HB GLU A 11 -0.024 3.275 15.679 1.00 0.00 H +ATOM 172 1HG GLU A 11 0.828 2.614 17.688 1.00 0.00 H +ATOM 173 2HG GLU A 11 2.251 3.513 17.160 1.00 0.00 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 50.00 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 50.00 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 50.00 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 50.00 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 50.00 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 50.00 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 50.00 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 50.00 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 50.00 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 50.00 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 50.00 H +ATOM 185 1HG1 ILE A 12 -3.166 8.653 11.564 1.00 50.00 H +ATOM 186 2HG1 ILE A 12 -2.190 7.468 10.695 1.00 50.00 H +ATOM 187 1HG2 ILE A 12 -0.262 8.757 13.707 1.00 50.00 H +ATOM 188 2HG2 ILE A 12 -0.514 9.090 11.993 1.00 50.00 H +ATOM 189 3HG2 ILE A 12 -1.677 9.673 13.185 1.00 50.00 H +ATOM 190 1HD1 ILE A 12 -3.597 5.942 12.550 1.00 50.00 H +ATOM 191 2HD1 ILE A 12 -4.780 7.127 11.993 1.00 50.00 H +ATOM 192 3HD1 ILE A 12 -3.965 6.080 10.831 1.00 50.00 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 50.00 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 50.00 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 50.00 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 50.00 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 50.00 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 50.00 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 50.00 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 50.00 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 50.00 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 50.00 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 50.00 H +ATOM 204 1HG2 THR A 13 1.589 10.024 12.390 1.00 50.00 H +ATOM 205 2HG2 THR A 13 3.163 10.814 12.479 1.00 50.00 H +ATOM 206 3HG2 THR A 13 2.254 10.827 10.968 1.00 50.00 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 50.00 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 50.00 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 50.00 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 50.00 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 50.00 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 50.00 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 50.00 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 50.00 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 50.00 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 50.00 H +ATOM 217 1HB LEU A 14 4.844 4.522 12.553 1.00 50.00 H +ATOM 218 2HB LEU A 14 3.742 3.198 12.178 1.00 50.00 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 50.00 H +ATOM 220 1HD1 LEU A 14 5.565 2.209 13.303 1.00 50.00 H +ATOM 221 2HD1 LEU A 14 5.611 0.976 12.042 1.00 50.00 H +ATOM 222 3HD1 LEU A 14 7.081 1.847 12.477 1.00 50.00 H +ATOM 223 1HD2 LEU A 14 4.341 1.893 10.050 1.00 50.00 H +ATOM 224 2HD2 LEU A 14 5.379 3.024 9.183 1.00 50.00 H +ATOM 225 3HD2 LEU A 14 6.043 1.509 9.793 1.00 50.00 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 50.00 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 50.00 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 50.00 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 50.00 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 50.00 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 50.00 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 50.00 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 50.00 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 50.00 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 50.00 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 50.00 H +ATOM 237 1HG1 ILE A 15 -0.165 0.830 11.538 1.00 50.00 H +ATOM 238 2HG1 ILE A 15 0.636 2.256 12.200 1.00 50.00 H +ATOM 239 1HG2 ILE A 15 -1.137 0.950 9.248 1.00 50.00 H +ATOM 240 2HG2 ILE A 15 -2.422 1.676 10.214 1.00 50.00 H +ATOM 241 3HG2 ILE A 15 -1.853 2.485 8.754 1.00 50.00 H +ATOM 242 1HD1 ILE A 15 -2.373 2.041 12.129 1.00 50.00 H +ATOM 243 2HD1 ILE A 15 -1.436 1.369 13.463 1.00 50.00 H +ATOM 244 3HD1 ILE A 15 -1.372 3.098 13.125 1.00 50.00 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 50.00 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 50.00 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 50.00 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 50.00 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 50.00 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 50.00 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 50.00 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 50.00 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 50.00 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 50.00 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 50.00 H +ATOM 256 1HG1 ILE A 16 -2.240 6.820 7.256 1.00 50.00 H +ATOM 257 2HG1 ILE A 16 -1.500 6.481 8.821 1.00 50.00 H +ATOM 258 1HG2 ILE A 16 0.152 6.928 5.112 1.00 50.00 H +ATOM 259 2HG2 ILE A 16 -1.022 8.082 5.744 1.00 50.00 H +ATOM 260 3HG2 ILE A 16 0.704 8.377 5.952 1.00 50.00 H +ATOM 261 1HD1 ILE A 16 -1.346 9.181 7.458 1.00 50.00 H +ATOM 262 2HD1 ILE A 16 -2.579 8.761 8.649 1.00 50.00 H +ATOM 263 3HD1 ILE A 16 -0.877 8.789 9.112 1.00 50.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 50.00 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 50.00 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 50.00 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 50.00 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 50.00 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 50.00 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 50.00 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 50.00 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 50.00 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 50.00 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 50.00 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 50.00 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 50.00 H +ATOM 277 1HB PHE A 17 4.737 5.017 7.757 1.00 50.00 H +ATOM 278 2HB PHE A 17 5.792 4.796 6.363 1.00 50.00 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 50.00 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 50.00 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 50.00 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 50.00 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 50.00 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 50.00 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 50.00 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 50.00 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 50.00 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 50.00 H +ATOM 289 1HA GLY A 18 4.506 1.112 5.208 1.00 50.00 H +ATOM 290 2HA GLY A 18 3.198 0.670 6.309 1.00 50.00 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 50.00 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 50.00 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 50.00 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 50.00 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 50.00 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 50.00 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 50.00 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 50.00 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 50.00 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 50.00 H +ATOM 301 1HG1 VAL A 19 -1.442 1.985 1.761 1.00 50.00 H +ATOM 302 2HG1 VAL A 19 -2.756 1.752 2.914 1.00 50.00 H +ATOM 303 3HG1 VAL A 19 -2.283 3.383 2.434 1.00 50.00 H +ATOM 304 1HG2 VAL A 19 -0.732 1.187 5.532 1.00 50.00 H +ATOM 305 2HG2 VAL A 19 -1.945 2.458 5.681 1.00 50.00 H +ATOM 306 3HG2 VAL A 19 -2.277 1.034 4.696 1.00 50.00 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 50.00 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 50.00 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 50.00 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 50.00 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 50.00 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 50.00 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 50.00 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 50.00 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 50.00 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 50.00 H +ATOM 317 1HB MET A 20 3.355 5.424 2.699 1.00 50.00 H +ATOM 318 2HB MET A 20 3.435 6.068 1.058 1.00 50.00 H +ATOM 319 1HG MET A 20 0.835 6.461 1.463 1.00 50.00 H +ATOM 320 2HG MET A 20 1.337 6.469 3.153 1.00 50.00 H +ATOM 321 1HE MET A 20 -0.050 8.308 1.356 1.00 50.00 H +ATOM 322 2HE MET A 20 0.362 9.709 2.341 1.00 50.00 H +ATOM 323 3HE MET A 20 0.802 9.681 0.636 1.00 50.00 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 50.00 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 50.00 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 50.00 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 50.00 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 50.00 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 50.00 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 50.00 H +ATOM 331 1HB ALA A 21 5.474 1.551 3.017 1.00 50.00 H +ATOM 332 2HB ALA A 21 6.213 0.395 1.905 1.00 50.00 H +ATOM 333 3HB ALA A 21 6.963 1.968 2.173 1.00 50.00 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 50.00 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 50.00 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 50.00 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 50.00 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 50.00 H +ATOM 339 1HA GLY A 22 3.753 -1.610 -0.492 1.00 50.00 H +ATOM 340 2HA GLY A 22 2.148 -1.252 0.152 1.00 50.00 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 50.00 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 50.00 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 50.00 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 50.00 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 50.00 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 50.00 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 50.00 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 50.00 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 50.00 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 50.00 H +ATOM 351 1HG1 VAL A 23 0.275 2.913 -4.723 1.00 50.00 H +ATOM 352 2HG1 VAL A 23 -0.217 4.334 -3.801 1.00 50.00 H +ATOM 353 3HG1 VAL A 23 1.481 4.096 -4.217 1.00 50.00 H +ATOM 354 1HG2 VAL A 23 -0.764 1.461 -2.019 1.00 50.00 H +ATOM 355 2HG2 VAL A 23 -0.588 2.873 -0.977 1.00 50.00 H +ATOM 356 3HG2 VAL A 23 -1.362 3.031 -2.553 1.00 50.00 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 50.00 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 50.00 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 50.00 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 50.00 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 50.00 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 50.00 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 50.00 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 50.00 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 50.00 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 50.00 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 50.00 H +ATOM 368 1HG1 ILE A 24 4.509 4.370 -2.029 1.00 50.00 H +ATOM 369 2HG1 ILE A 24 6.149 4.854 -1.595 1.00 50.00 H +ATOM 370 1HG2 ILE A 24 7.077 3.642 -4.886 1.00 50.00 H +ATOM 371 2HG2 ILE A 24 7.715 4.537 -3.507 1.00 50.00 H +ATOM 372 3HG2 ILE A 24 8.052 2.814 -3.671 1.00 50.00 H +ATOM 373 1HD1 ILE A 24 5.255 5.230 -4.428 1.00 50.00 H +ATOM 374 2HD1 ILE A 24 4.680 6.365 -3.206 1.00 50.00 H +ATOM 375 3HD1 ILE A 24 6.411 6.171 -3.484 1.00 50.00 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 50.00 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 50.00 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 50.00 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 50.00 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 50.00 H +ATOM 381 1HA GLY A 25 7.208 -0.780 -4.746 1.00 50.00 H +ATOM 382 2HA GLY A 25 6.145 -1.716 -3.692 1.00 50.00 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 50.00 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 50.00 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 50.00 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 50.00 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 50.00 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 50.00 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 50.00 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 50.00 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 50.00 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 50.00 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 50.00 H +ATOM 394 1HG2 THR A 26 1.315 -1.690 -8.351 1.00 50.00 H +ATOM 395 2HG2 THR A 26 0.581 -2.963 -7.376 1.00 50.00 H +ATOM 396 3HG2 THR A 26 -0.119 -1.345 -7.384 1.00 50.00 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 50.00 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 50.00 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 50.00 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 50.00 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 50.00 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 50.00 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 50.00 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 50.00 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 50.00 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 50.00 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 50.00 H +ATOM 408 1HG1 ILE A 27 1.872 3.224 -8.418 1.00 50.00 H +ATOM 409 2HG1 ILE A 27 2.295 2.707 -6.786 1.00 50.00 H +ATOM 410 1HG2 ILE A 27 4.531 3.303 -10.146 1.00 50.00 H +ATOM 411 2HG2 ILE A 27 3.742 4.645 -9.316 1.00 50.00 H +ATOM 412 3HG2 ILE A 27 5.416 4.237 -8.940 1.00 50.00 H +ATOM 413 1HD1 ILE A 27 3.657 5.012 -6.827 1.00 50.00 H +ATOM 414 2HD1 ILE A 27 2.410 5.429 -8.002 1.00 50.00 H +ATOM 415 3HD1 ILE A 27 1.956 4.947 -6.367 1.00 50.00 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 50.00 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 50.00 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 50.00 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 50.00 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 50.00 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 50.00 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 50.00 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 50.00 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 50.00 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 50.00 H +ATOM 426 1HB LEU A 28 9.271 0.916 -7.976 1.00 50.00 H +ATOM 427 2HB LEU A 28 7.975 0.190 -7.035 1.00 50.00 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 50.00 H +ATOM 429 1HD1 LEU A 28 9.660 -0.862 -10.178 1.00 50.00 H +ATOM 430 2HD1 LEU A 28 10.972 -0.508 -9.054 1.00 50.00 H +ATOM 431 3HD1 LEU A 28 10.567 -2.181 -9.439 1.00 50.00 H +ATOM 432 1HD2 LEU A 28 9.859 -0.724 -6.142 1.00 50.00 H +ATOM 433 2HD2 LEU A 28 9.482 -2.432 -6.370 1.00 50.00 H +ATOM 434 3HD2 LEU A 28 10.962 -1.756 -7.050 1.00 50.00 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 50.00 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 50.00 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 50.00 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 50.00 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 50.00 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 50.00 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 50.00 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 50.00 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 50.00 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 50.00 H +ATOM 445 1HB LEU A 29 5.866 -4.145 -8.630 1.00 50.00 H +ATOM 446 2HB LEU A 29 4.486 -3.598 -9.585 1.00 50.00 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 50.00 H +ATOM 448 1HD1 LEU A 29 7.605 -5.429 -10.191 1.00 50.00 H +ATOM 449 2HD1 LEU A 29 6.736 -6.484 -9.077 1.00 50.00 H +ATOM 450 3HD1 LEU A 29 6.862 -6.915 -10.783 1.00 50.00 H +ATOM 451 1HD2 LEU A 29 3.954 -5.820 -8.931 1.00 50.00 H +ATOM 452 2HD2 LEU A 29 3.459 -6.056 -10.607 1.00 50.00 H +ATOM 453 3HD2 LEU A 29 4.558 -7.204 -9.842 1.00 50.00 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 50.00 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 50.00 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 50.00 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 50.00 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 50.00 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 50.00 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 50.00 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 50.00 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 50.00 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 50.00 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 50.00 H +ATOM 465 1HG1 ILE A 30 1.291 -1.734 -12.162 1.00 50.00 H +ATOM 466 2HG1 ILE A 30 2.403 -1.595 -10.800 1.00 50.00 H +ATOM 467 1HG2 ILE A 30 2.917 0.172 -14.559 1.00 50.00 H +ATOM 468 2HG2 ILE A 30 1.405 -0.548 -14.005 1.00 50.00 H +ATOM 469 3HG2 ILE A 30 1.794 1.121 -13.584 1.00 50.00 H +ATOM 470 1HD1 ILE A 30 1.321 0.984 -11.174 1.00 50.00 H +ATOM 471 2HD1 ILE A 30 -0.038 -0.132 -11.300 1.00 50.00 H +ATOM 472 3HD1 ILE A 30 0.973 -0.135 -9.856 1.00 50.00 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 50.00 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 50.00 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 50.00 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 50.00 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 50.00 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 50.00 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 50.00 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 50.00 H +ATOM 481 1HB SER A 31 8.229 1.269 -12.553 1.00 50.00 H +ATOM 482 2HB SER A 31 8.389 2.364 -13.923 1.00 50.00 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 50.00 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 50.00 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 50.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 50.00 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 50.00 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 50.00 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 50.00 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 50.00 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 50.00 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 50.00 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 50.00 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 50.00 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 50.00 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 50.00 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 50.00 H +ATOM 498 1HB TYR A 32 8.905 -2.978 -12.755 1.00 50.00 H +ATOM 499 2HB TYR A 32 9.236 -4.144 -14.037 1.00 50.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 50.00 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 50.00 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 50.00 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 50.00 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 50.00 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.00 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 0.00 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 0.00 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 0.00 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.00 H +ATOM 510 1HA GLY A 33 6.606 -4.793 -16.846 1.00 0.00 H +ATOM 511 2HA GLY A 33 5.165 -4.072 -16.126 1.00 0.00 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 0.00 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 0.00 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 0.00 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 0.00 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 0.00 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 0.00 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 0.00 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 0.00 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 0.00 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 0.00 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 0.00 H +ATOM 523 1HG1 ILE A 34 3.899 2.292 -18.745 1.00 0.00 H +ATOM 524 2HG1 ILE A 34 4.427 1.254 -20.069 1.00 0.00 H +ATOM 525 1HG2 ILE A 34 7.171 1.113 -17.556 1.00 0.00 H +ATOM 526 2HG2 ILE A 34 6.717 1.744 -19.137 1.00 0.00 H +ATOM 527 3HG2 ILE A 34 6.118 2.520 -17.671 1.00 0.00 H +ATOM 528 1HD1 ILE A 34 2.915 -0.321 -18.200 1.00 0.00 H +ATOM 529 2HD1 ILE A 34 1.983 1.114 -18.628 1.00 0.00 H +ATOM 530 3HD1 ILE A 34 2.553 0.024 -19.892 1.00 0.00 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 0.00 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 0.00 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 0.00 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 0.00 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 0.00 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 0.00 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 0.00 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 0.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 0.00 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 0.00 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 0.00 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 0.00 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 0.00 H +ATOM 544 1HB ARG A 35 10.316 -1.370 -17.915 1.00 0.00 H +ATOM 545 2HB ARG A 35 11.321 -0.591 -19.138 1.00 0.00 H +ATOM 546 1HG ARG A 35 9.715 1.487 -18.346 1.00 0.00 H +ATOM 547 2HG ARG A 35 9.907 0.593 -16.837 1.00 0.00 H +ATOM 548 1HD ARG A 35 12.160 1.549 -18.628 1.00 0.00 H +ATOM 549 2HD ARG A 35 11.701 2.257 -17.081 1.00 0.00 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 0.00 H +ATOM 551 1HH1 ARG A 35 13.904 1.948 -15.585 1.00 0.00 H +ATOM 552 2HH1 ARG A 35 15.459 1.481 -16.185 1.00 0.00 H +ATOM 553 1HH2 ARG A 35 14.201 -0.940 -18.325 1.00 0.00 H +ATOM 554 2HH2 ARG A 35 15.628 -0.153 -17.738 1.00 0.00 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 0.00 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 0.00 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 0.00 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 0.00 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 0.00 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 0.00 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 0.00 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 0.00 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 0.00 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 0.00 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 0.00 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 0.00 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 0.00 H +ATOM 568 1HB ARG A 36 9.201 -5.395 -18.881 1.00 0.00 H +ATOM 569 2HB ARG A 36 7.629 -5.391 -19.682 1.00 0.00 H +ATOM 570 1HG ARG A 36 9.746 -6.515 -21.364 1.00 0.00 H +ATOM 571 2HG ARG A 36 9.520 -7.413 -19.861 1.00 0.00 H +ATOM 572 1HD ARG A 36 7.206 -6.617 -21.637 1.00 0.00 H +ATOM 573 2HD ARG A 36 8.059 -8.148 -21.823 1.00 0.00 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 0.00 H +ATOM 575 1HH1 ARG A 36 8.773 -9.650 -20.131 1.00 0.00 H +ATOM 576 2HH1 ARG A 36 8.959 -9.837 -18.419 1.00 0.00 H +ATOM 577 1HH2 ARG A 36 6.506 -7.516 -17.631 1.00 0.00 H +ATOM 578 2HH2 ARG A 36 7.675 -8.628 -17.003 1.00 0.00 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 0.00 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 0.00 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 0.00 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 0.00 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 0.00 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 0.00 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 0.00 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 0.00 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 0.00 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 0.00 H +ATOM 589 1HB LEU A 37 4.833 -2.685 -21.344 1.00 0.00 H +ATOM 590 2HB LEU A 37 4.580 -1.987 -22.944 1.00 0.00 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 0.00 H +ATOM 592 1HD1 LEU A 37 2.557 -2.551 -21.346 1.00 0.00 H +ATOM 593 2HD1 LEU A 37 1.525 -3.666 -22.241 1.00 0.00 H +ATOM 594 3HD1 LEU A 37 2.474 -4.248 -20.873 1.00 0.00 H +ATOM 595 1HD2 LEU A 37 3.385 -2.769 -24.471 1.00 0.00 H +ATOM 596 2HD2 LEU A 37 3.647 -4.497 -24.707 1.00 0.00 H +ATOM 597 3HD2 LEU A 37 2.081 -3.911 -24.147 1.00 0.00 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 0.00 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 0.00 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 0.00 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 0.00 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 0.00 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 0.00 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 0.00 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 0.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 0.00 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 0.00 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 0.00 H +ATOM 609 1HG1 ILE A 38 7.496 0.763 -21.853 1.00 0.00 H +ATOM 610 2HG1 ILE A 38 8.980 -0.053 -22.340 1.00 0.00 H +ATOM 611 1HG2 ILE A 38 6.040 1.194 -24.978 1.00 0.00 H +ATOM 612 2HG2 ILE A 38 5.890 1.051 -23.227 1.00 0.00 H +ATOM 613 3HG2 ILE A 38 6.553 2.522 -23.938 1.00 0.00 H +ATOM 614 1HD1 ILE A 38 9.566 2.483 -23.100 1.00 0.00 H +ATOM 615 2HD1 ILE A 38 8.511 2.809 -21.723 1.00 0.00 H +ATOM 616 3HD1 ILE A 38 9.966 1.835 -21.509 1.00 0.00 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 0.00 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 0.00 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 0.00 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 0.00 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 0.00 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 0.00 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 0.00 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 0.00 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 0.00 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 0.00 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 0.00 H +ATOM 628 1HB LYS A 39 11.275 -2.020 -23.017 1.00 0.00 H +ATOM 629 2HB LYS A 39 12.152 -2.813 -24.327 1.00 0.00 H +ATOM 630 1HG LYS A 39 13.918 -2.539 -22.887 1.00 0.00 H +ATOM 631 2HG LYS A 39 13.980 -0.952 -23.654 1.00 0.00 H +ATOM 632 1HD LYS A 39 12.042 -0.791 -21.583 1.00 0.00 H +ATOM 633 2HD LYS A 39 13.464 -1.583 -20.900 1.00 0.00 H +ATOM 634 1HE LYS A 39 14.020 0.753 -22.635 1.00 0.00 H +ATOM 635 2HE LYS A 39 13.214 1.114 -21.109 1.00 0.00 H +ATOM 636 1HZ LYS A 39 15.127 -0.677 -20.410 1.00 0.00 H +ATOM 637 2HZ LYS A 39 15.907 0.253 -21.594 1.00 0.00 H +ATOM 638 3HZ LYS A 39 15.239 1.008 -20.226 1.00 0.00 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 0.00 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 0.00 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 0.00 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 0.00 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 0.00 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 0.00 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 0.00 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 0.00 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 0.00 N +ATOM 648 H LYS A 40 13.719 -1.795 -25.860 1.00 0.00 H +ATOM 649 HA LYS A 40 14.134 -2.672 -28.002 1.00 0.00 H +ATOM 650 1HB LYS A 40 11.829 -3.770 -27.438 1.00 0.00 H +ATOM 651 2HB LYS A 40 11.182 -2.586 -28.575 1.00 0.00 H +ATOM 652 1HG LYS A 40 13.343 -3.542 -29.961 1.00 0.00 H +ATOM 653 2HG LYS A 40 12.820 -4.984 -29.090 1.00 0.00 H +ATOM 654 1HD LYS A 40 10.689 -4.962 -30.080 1.00 0.00 H +ATOM 655 2HD LYS A 40 10.815 -3.263 -30.534 1.00 0.00 H +ATOM 656 1HE LYS A 40 11.085 -4.746 -32.500 1.00 0.00 H +ATOM 657 2HE LYS A 40 12.549 -3.814 -32.186 1.00 0.00 H +ATOM 658 1HZ LYS A 40 13.158 -5.879 -30.755 1.00 0.00 H +ATOM 659 2HZ LYS A 40 12.038 -6.673 -31.756 1.00 0.00 H +ATOM 660 3HZ LYS A 40 13.392 -5.912 -32.438 1.00 0.00 H +ATOM 661 N VAL A 41 -9.556 1.761 2.979 1.00 50.00 N +ATOM 662 CA VAL A 41 -8.757 2.687 3.831 1.00 50.00 C +ATOM 663 C VAL A 41 -9.562 3.056 5.079 1.00 50.00 C +ATOM 664 O VAL A 41 -9.844 4.211 5.328 1.00 50.00 O +ATOM 665 CB VAL A 41 -8.433 3.956 3.040 1.00 50.00 C +ATOM 666 CG1 VAL A 41 -9.726 4.722 2.754 1.00 50.00 C +ATOM 667 CG2 VAL A 41 -7.490 4.839 3.859 1.00 50.00 C +ATOM 668 H VAL A 41 -10.436 1.408 3.327 1.00 50.00 H +ATOM 669 HA VAL A 41 -7.838 2.202 4.125 1.00 50.00 H +ATOM 670 HB VAL A 41 -7.961 3.688 2.106 1.00 50.00 H +ATOM 671 1HG1 VAL A 41 -10.572 4.067 2.898 1.00 50.00 H +ATOM 672 2HG1 VAL A 41 -9.803 5.562 3.430 1.00 50.00 H +ATOM 673 3HG1 VAL A 41 -9.716 5.079 1.736 1.00 50.00 H +ATOM 674 1HG2 VAL A 41 -6.684 4.237 4.253 1.00 50.00 H +ATOM 675 2HG2 VAL A 41 -7.083 5.615 3.227 1.00 50.00 H +ATOM 676 3HG2 VAL A 41 -8.035 5.289 4.676 1.00 50.00 H +ATOM 677 N GLN A 42 -9.935 2.083 5.867 1.00 50.00 N +ATOM 678 CA GLN A 42 -10.721 2.382 7.098 1.00 50.00 C +ATOM 679 C GLN A 42 -9.862 3.206 8.060 1.00 50.00 C +ATOM 680 O GLN A 42 -8.662 3.035 8.136 1.00 50.00 O +ATOM 681 CB GLN A 42 -11.134 1.072 7.776 1.00 50.00 C +ATOM 682 CG GLN A 42 -12.210 0.370 6.942 1.00 50.00 C +ATOM 683 CD GLN A 42 -13.301 1.373 6.561 1.00 50.00 C +ATOM 684 OE1 GLN A 42 -13.464 1.699 5.402 1.00 50.00 O +ATOM 685 NE2 GLN A 42 -14.060 1.879 7.494 1.00 50.00 N +ATOM 686 H GLN A 42 -9.698 1.158 5.649 1.00 50.00 H +ATOM 687 HA GLN A 42 -11.603 2.946 6.833 1.00 50.00 H +ATOM 688 1HB GLN A 42 -10.271 0.427 7.866 1.00 50.00 H +ATOM 689 2HB GLN A 42 -11.526 1.286 8.759 1.00 50.00 H +ATOM 690 1HG GLN A 42 -11.764 -0.037 6.046 1.00 50.00 H +ATOM 691 2HG GLN A 42 -12.647 -0.430 7.522 1.00 50.00 H +ATOM 692 1HE2 GLN A 42 -14.761 2.522 7.260 1.00 50.00 H +ATOM 693 2HE2 GLN A 42 -13.929 1.616 8.430 1.00 50.00 H +ATOM 694 N LEU A 43 -10.469 4.098 8.796 1.00 50.00 N +ATOM 695 CA LEU A 43 -9.684 4.931 9.750 1.00 50.00 C +ATOM 696 C LEU A 43 -10.445 5.052 11.072 1.00 50.00 C +ATOM 697 O LEU A 43 -10.058 5.790 11.957 1.00 50.00 O +ATOM 698 CB LEU A 43 -9.476 6.326 9.157 1.00 50.00 C +ATOM 699 CG LEU A 43 -8.056 6.803 9.461 1.00 50.00 C +ATOM 700 CD1 LEU A 43 -7.046 5.828 8.853 1.00 50.00 C +ATOM 701 CD2 LEU A 43 -7.847 8.194 8.856 1.00 50.00 C +ATOM 702 H LEU A 43 -11.437 4.222 8.719 1.00 50.00 H +ATOM 703 HA LEU A 43 -8.725 4.469 9.928 1.00 50.00 H +ATOM 704 1HB LEU A 43 -9.623 6.286 8.086 1.00 50.00 H +ATOM 705 2HB LEU A 43 -10.186 7.011 9.593 1.00 50.00 H +ATOM 706 HG LEU A 43 -7.914 6.850 10.531 1.00 50.00 H +ATOM 707 1HD1 LEU A 43 -7.524 5.256 8.071 1.00 50.00 H +ATOM 708 2HD1 LEU A 43 -6.216 6.381 8.439 1.00 50.00 H +ATOM 709 3HD1 LEU A 43 -6.685 5.159 9.621 1.00 50.00 H +ATOM 710 1HD2 LEU A 43 -8.800 8.694 8.766 1.00 50.00 H +ATOM 711 2HD2 LEU A 43 -7.196 8.771 9.497 1.00 50.00 H +ATOM 712 3HD2 LEU A 43 -7.398 8.098 7.879 1.00 50.00 H +ATOM 713 N ALA A 44 -11.527 4.337 11.216 1.00 50.00 N +ATOM 714 CA ALA A 44 -12.308 4.416 12.482 1.00 50.00 C +ATOM 715 C ALA A 44 -11.642 3.545 13.550 1.00 50.00 C +ATOM 716 O ALA A 44 -11.954 3.635 14.721 1.00 50.00 O +ATOM 717 CB ALA A 44 -13.735 3.922 12.236 1.00 50.00 C +ATOM 718 H ALA A 44 -11.827 3.748 10.492 1.00 50.00 H +ATOM 719 HA ALA A 44 -12.336 5.442 12.821 1.00 50.00 H +ATOM 720 1HB ALA A 44 -13.733 3.211 11.423 1.00 50.00 H +ATOM 721 2HB ALA A 44 -14.110 3.446 13.130 1.00 50.00 H +ATOM 722 3HB ALA A 44 -14.367 4.760 11.980 1.00 50.00 H +ATOM 723 N HIS A 45 -10.727 2.702 13.153 1.00 50.00 N +ATOM 724 CA HIS A 45 -10.036 1.822 14.142 1.00 50.00 C +ATOM 725 C HIS A 45 -10.950 0.654 14.518 1.00 50.00 C +ATOM 726 O HIS A 45 -11.987 0.834 15.124 1.00 50.00 O +ATOM 727 CB HIS A 45 -9.698 2.629 15.397 1.00 50.00 C +ATOM 728 CG HIS A 45 -8.322 2.256 15.881 1.00 50.00 C +ATOM 729 ND1 HIS A 45 -7.174 2.830 15.357 1.00 50.00 N +ATOM 730 CD2 HIS A 45 -7.895 1.371 16.839 1.00 50.00 C +ATOM 731 CE1 HIS A 45 -6.122 2.289 15.999 1.00 50.00 C +ATOM 732 NE2 HIS A 45 -6.505 1.393 16.911 1.00 50.00 N +ATOM 733 H HIS A 45 -10.492 2.647 12.204 1.00 50.00 H +ATOM 734 HA HIS A 45 -9.125 1.439 13.705 1.00 50.00 H +ATOM 735 1HB HIS A 45 -9.724 3.684 15.165 1.00 50.00 H +ATOM 736 2HB HIS A 45 -10.420 2.412 16.169 1.00 50.00 H +ATOM 737 HD1 HIS A 45 -7.135 3.507 14.650 1.00 50.00 H +ATOM 738 HD2 HIS A 45 -8.540 0.752 17.445 1.00 50.00 H +ATOM 739 HE1 HIS A 45 -5.092 2.550 15.801 1.00 50.00 H +ATOM 740 N HIS A 46 -10.570 -0.545 14.165 1.00 50.00 N +ATOM 741 CA HIS A 46 -11.415 -1.725 14.503 1.00 50.00 C +ATOM 742 C HIS A 46 -10.910 -2.949 13.737 1.00 50.00 C +ATOM 743 O HIS A 46 -11.682 -3.766 13.277 1.00 50.00 O +ATOM 744 CB HIS A 46 -12.867 -1.445 14.115 1.00 50.00 C +ATOM 745 CG HIS A 46 -13.682 -1.211 15.357 1.00 50.00 C +ATOM 746 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 50.00 N +ATOM 747 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 50.00 C +ATOM 748 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 50.00 C +ATOM 749 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 50.00 N +ATOM 750 H HIS A 46 -9.729 -0.668 13.678 1.00 50.00 H +ATOM 751 HA HIS A 46 -11.356 -1.917 15.565 1.00 50.00 H +ATOM 752 1HB HIS A 46 -12.908 -0.568 13.486 1.00 50.00 H +ATOM 753 2HB HIS A 46 -13.266 -2.293 13.578 1.00 50.00 H +ATOM 754 HD1 HIS A 46 -14.478 0.705 14.933 1.00 50.00 H +ATOM 755 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 50.00 H +ATOM 756 HE1 HIS A 46 -15.662 0.609 17.169 1.00 50.00 H +ATOM 757 N PHE A 47 -9.619 -3.081 13.594 1.00 50.00 N +ATOM 758 CA PHE A 47 -9.068 -4.252 12.856 1.00 50.00 C +ATOM 759 C PHE A 47 -7.788 -4.732 13.542 1.00 50.00 C +ATOM 760 O PHE A 47 -7.818 -5.593 14.400 1.00 50.00 O +ATOM 761 CB PHE A 47 -8.753 -3.843 11.416 1.00 50.00 C +ATOM 762 CG PHE A 47 -9.856 -4.323 10.503 1.00 50.00 C +ATOM 763 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 50.00 C +ATOM 764 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 50.00 C +ATOM 765 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 50.00 C +ATOM 766 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 50.00 C +ATOM 767 CZ PHE A 47 -11.898 -5.214 8.807 1.00 50.00 C +ATOM 768 H PHE A 47 -9.013 -2.410 13.972 1.00 50.00 H +ATOM 769 HA PHE A 47 -9.796 -5.050 12.852 1.00 50.00 H +ATOM 770 1HB PHE A 47 -8.680 -2.766 11.356 1.00 50.00 H +ATOM 771 2HB PHE A 47 -7.817 -4.285 11.112 1.00 50.00 H +ATOM 772 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 50.00 H +ATOM 773 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 50.00 H +ATOM 774 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 50.00 H +ATOM 775 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 50.00 H +ATOM 776 HZ PHE A 47 -12.687 -5.558 8.153 1.00 50.00 H +ATOM 777 N SER A 48 -6.663 -4.183 13.173 1.00 50.00 N +ATOM 778 CA SER A 48 -5.384 -4.610 13.806 1.00 50.00 C +ATOM 779 C SER A 48 -5.133 -3.774 15.062 1.00 50.00 C +ATOM 780 O SER A 48 -4.778 -2.614 14.987 1.00 50.00 O +ATOM 781 CB SER A 48 -4.235 -4.407 12.817 1.00 50.00 C +ATOM 782 OG SER A 48 -4.383 -5.315 11.733 1.00 50.00 O +ATOM 783 H SER A 48 -6.660 -3.492 12.479 1.00 50.00 H +ATOM 784 HA SER A 48 -5.446 -5.654 14.075 1.00 50.00 H +ATOM 785 1HB SER A 48 -4.258 -3.399 12.441 1.00 50.00 H +ATOM 786 2HB SER A 48 -3.293 -4.580 13.321 1.00 50.00 H +ATOM 787 HG SER A 48 -4.490 -6.197 12.098 1.00 50.00 H +ATOM 788 N GLU A 49 -5.314 -4.354 16.217 1.00 0.00 N +ATOM 789 CA GLU A 49 -5.088 -3.594 17.478 1.00 0.00 C +ATOM 790 C GLU A 49 -3.595 -3.284 17.641 1.00 0.00 C +ATOM 791 O GLU A 49 -3.221 -2.140 17.803 1.00 0.00 O +ATOM 792 CB GLU A 49 -5.573 -4.425 18.668 1.00 0.00 C +ATOM 793 CG GLU A 49 -6.895 -3.852 19.184 1.00 0.00 C +ATOM 794 CD GLU A 49 -8.064 -4.586 18.523 1.00 0.00 C +ATOM 795 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 0.00 O +ATOM 796 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 0.00 O +ATOM 797 H GLU A 49 -5.601 -5.290 16.254 1.00 0.00 H +ATOM 798 HA GLU A 49 -5.641 -2.668 17.439 1.00 0.00 H +ATOM 799 1HB GLU A 49 -5.720 -5.449 18.357 1.00 0.00 H +ATOM 800 2HB GLU A 49 -4.836 -4.389 19.456 1.00 0.00 H +ATOM 801 1HG GLU A 49 -6.949 -3.979 20.256 1.00 0.00 H +ATOM 802 2HG GLU A 49 -6.952 -2.800 18.943 1.00 0.00 H +ATOM 803 N PRO A 50 -2.783 -4.313 17.599 1.00 0.00 N +ATOM 804 CA PRO A 50 -1.323 -4.162 17.748 1.00 0.00 C +ATOM 805 C PRO A 50 -0.760 -3.261 16.643 1.00 0.00 C +ATOM 806 O PRO A 50 -1.346 -3.116 15.586 1.00 0.00 O +ATOM 807 CB PRO A 50 -0.764 -5.586 17.621 1.00 0.00 C +ATOM 808 CG PRO A 50 -1.965 -6.548 17.434 1.00 0.00 C +ATOM 809 CD PRO A 50 -3.246 -5.699 17.403 1.00 0.00 C +ATOM 810 HA PRO A 50 -1.083 -3.761 18.719 1.00 0.00 H +ATOM 811 1HB PRO A 50 -0.106 -5.646 16.764 1.00 0.00 H +ATOM 812 2HB PRO A 50 -0.226 -5.851 18.518 1.00 0.00 H +ATOM 813 1HG PRO A 50 -1.859 -7.089 16.504 1.00 0.00 H +ATOM 814 2HG PRO A 50 -2.010 -7.242 18.259 1.00 0.00 H +ATOM 815 1HD PRO A 50 -3.736 -5.806 16.447 1.00 0.00 H +ATOM 816 2HD PRO A 50 -3.908 -5.988 18.204 1.00 0.00 H +ATOM 817 N GLU A 51 0.373 -2.658 16.879 1.00 0.00 N +ATOM 818 CA GLU A 51 0.975 -1.767 15.848 1.00 0.00 C +ATOM 819 C GLU A 51 1.393 -2.592 14.630 1.00 0.00 C +ATOM 820 O GLU A 51 0.764 -2.542 13.592 1.00 0.00 O +ATOM 821 CB GLU A 51 2.206 -1.070 16.431 1.00 0.00 C +ATOM 822 CG GLU A 51 1.789 -0.203 17.619 1.00 0.00 C +ATOM 823 CD GLU A 51 2.683 -0.519 18.818 1.00 0.00 C +ATOM 824 OE1 GLU A 51 2.686 -1.662 19.244 1.00 0.00 O +ATOM 825 OE2 GLU A 51 3.350 0.387 19.291 1.00 0.00 O +ATOM 826 H GLU A 51 0.827 -2.791 17.737 1.00 0.00 H +ATOM 827 HA GLU A 51 0.252 -1.024 15.547 1.00 0.00 H +ATOM 828 1HB GLU A 51 2.917 -1.814 16.760 1.00 0.00 H +ATOM 829 2HB GLU A 51 2.660 -0.448 15.674 1.00 0.00 H +ATOM 830 1HG GLU A 51 1.893 0.841 17.355 1.00 0.00 H +ATOM 831 2HG GLU A 51 0.761 -0.409 17.874 1.00 0.00 H +ATOM 832 N ILE A 52 2.456 -3.346 14.747 1.00 50.00 N +ATOM 833 CA ILE A 52 2.929 -4.170 13.602 1.00 50.00 C +ATOM 834 C ILE A 52 1.736 -4.780 12.861 1.00 50.00 C +ATOM 835 O ILE A 52 1.701 -4.817 11.647 1.00 50.00 O +ATOM 836 CB ILE A 52 3.841 -5.282 14.128 1.00 50.00 C +ATOM 837 CG1 ILE A 52 4.696 -5.806 12.981 1.00 50.00 C +ATOM 838 CG2 ILE A 52 3.002 -6.426 14.707 1.00 50.00 C +ATOM 839 CD1 ILE A 52 6.170 -5.541 13.287 1.00 50.00 C +ATOM 840 H ILE A 52 2.949 -3.364 15.591 1.00 50.00 H +ATOM 841 HA ILE A 52 3.489 -3.545 12.922 1.00 50.00 H +ATOM 842 HB ILE A 52 4.484 -4.886 14.901 1.00 50.00 H +ATOM 843 1HG1 ILE A 52 4.533 -6.867 12.866 1.00 50.00 H +ATOM 844 2HG1 ILE A 52 4.420 -5.295 12.071 1.00 50.00 H +ATOM 845 1HG2 ILE A 52 2.268 -6.025 15.388 1.00 50.00 H +ATOM 846 2HG2 ILE A 52 2.502 -6.947 13.903 1.00 50.00 H +ATOM 847 3HG2 ILE A 52 3.646 -7.114 15.234 1.00 50.00 H +ATOM 848 1HD1 ILE A 52 6.254 -4.654 13.897 1.00 50.00 H +ATOM 849 2HD1 ILE A 52 6.584 -6.385 13.818 1.00 50.00 H +ATOM 850 3HD1 ILE A 52 6.709 -5.395 12.363 1.00 50.00 H +ATOM 851 N THR A 53 0.758 -5.255 13.581 1.00 50.00 N +ATOM 852 CA THR A 53 -0.431 -5.857 12.915 1.00 50.00 C +ATOM 853 C THR A 53 -1.121 -4.799 12.050 1.00 50.00 C +ATOM 854 O THR A 53 -1.476 -5.047 10.914 1.00 50.00 O +ATOM 855 CB THR A 53 -1.408 -6.385 13.972 1.00 50.00 C +ATOM 856 OG1 THR A 53 -1.442 -5.496 15.082 1.00 50.00 O +ATOM 857 CG2 THR A 53 -0.954 -7.768 14.440 1.00 50.00 C +ATOM 858 H THR A 53 0.804 -5.213 14.558 1.00 50.00 H +ATOM 859 HA THR A 53 -0.109 -6.675 12.287 1.00 50.00 H +ATOM 860 HB THR A 53 -2.394 -6.462 13.543 1.00 50.00 H +ATOM 861 HG1 THR A 53 -0.975 -4.697 14.839 1.00 50.00 H +ATOM 862 1HG2 THR A 53 -0.301 -8.202 13.699 1.00 50.00 H +ATOM 863 2HG2 THR A 53 -0.424 -7.675 15.377 1.00 50.00 H +ATOM 864 3HG2 THR A 53 -1.816 -8.402 14.577 1.00 50.00 H +ATOM 865 N LEU A 54 -1.329 -3.623 12.576 1.00 50.00 N +ATOM 866 CA LEU A 54 -2.006 -2.571 11.766 1.00 50.00 C +ATOM 867 C LEU A 54 -1.043 -2.026 10.710 1.00 50.00 C +ATOM 868 O LEU A 54 -1.398 -1.894 9.558 1.00 50.00 O +ATOM 869 CB LEU A 54 -2.459 -1.422 12.674 1.00 50.00 C +ATOM 870 CG LEU A 54 -3.787 -0.853 12.165 1.00 50.00 C +ATOM 871 CD1 LEU A 54 -4.040 0.507 12.818 1.00 50.00 C +ATOM 872 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 50.00 C +ATOM 873 H LEU A 54 -1.047 -3.435 13.496 1.00 50.00 H +ATOM 874 HA LEU A 54 -2.866 -2.997 11.271 1.00 50.00 H +ATOM 875 1HB LEU A 54 -2.591 -1.789 13.681 1.00 50.00 H +ATOM 876 2HB LEU A 54 -1.712 -0.644 12.669 1.00 50.00 H +ATOM 877 HG LEU A 54 -4.590 -1.529 12.422 1.00 50.00 H +ATOM 878 1HD1 LEU A 54 -3.240 0.729 13.508 1.00 50.00 H +ATOM 879 2HD1 LEU A 54 -4.079 1.271 12.055 1.00 50.00 H +ATOM 880 3HD1 LEU A 54 -4.979 0.481 13.351 1.00 50.00 H +ATOM 881 1HD2 LEU A 54 -2.822 -0.159 10.375 1.00 50.00 H +ATOM 882 2HD2 LEU A 54 -3.743 -1.650 10.171 1.00 50.00 H +ATOM 883 3HD2 LEU A 54 -4.584 -0.106 10.315 1.00 50.00 H +ATOM 884 N ILE A 55 0.167 -1.697 11.078 1.00 50.00 N +ATOM 885 CA ILE A 55 1.107 -1.158 10.055 1.00 50.00 C +ATOM 886 C ILE A 55 1.260 -2.171 8.918 1.00 50.00 C +ATOM 887 O ILE A 55 1.135 -1.833 7.757 1.00 50.00 O +ATOM 888 CB ILE A 55 2.472 -0.900 10.695 1.00 50.00 C +ATOM 889 CG1 ILE A 55 2.311 0.071 11.868 1.00 50.00 C +ATOM 890 CG2 ILE A 55 3.414 -0.291 9.654 1.00 50.00 C +ATOM 891 CD1 ILE A 55 3.576 0.043 12.728 1.00 50.00 C +ATOM 892 H ILE A 55 0.451 -1.799 12.011 1.00 50.00 H +ATOM 893 HA ILE A 55 0.714 -0.232 9.661 1.00 50.00 H +ATOM 894 HB ILE A 55 2.886 -1.832 11.051 1.00 50.00 H +ATOM 895 1HG1 ILE A 55 2.154 1.070 11.489 1.00 50.00 H +ATOM 896 2HG1 ILE A 55 1.464 -0.227 12.467 1.00 50.00 H +ATOM 897 1HG2 ILE A 55 3.450 -0.930 8.784 1.00 50.00 H +ATOM 898 2HG2 ILE A 55 3.053 0.686 9.369 1.00 50.00 H +ATOM 899 3HG2 ILE A 55 4.404 -0.200 10.075 1.00 50.00 H +ATOM 900 1HD1 ILE A 55 4.369 -0.453 12.188 1.00 50.00 H +ATOM 901 2HD1 ILE A 55 3.876 1.055 12.960 1.00 50.00 H +ATOM 902 3HD1 ILE A 55 3.377 -0.492 13.646 1.00 50.00 H +ATOM 903 N ILE A 56 1.500 -3.417 9.237 1.00 50.00 N +ATOM 904 CA ILE A 56 1.622 -4.438 8.159 1.00 50.00 C +ATOM 905 C ILE A 56 0.327 -4.451 7.349 1.00 50.00 C +ATOM 906 O ILE A 56 0.335 -4.430 6.132 1.00 50.00 O +ATOM 907 CB ILE A 56 1.892 -5.820 8.767 1.00 50.00 C +ATOM 908 CG1 ILE A 56 2.302 -6.791 7.658 1.00 50.00 C +ATOM 909 CG2 ILE A 56 0.637 -6.344 9.462 1.00 50.00 C +ATOM 910 CD1 ILE A 56 3.696 -7.344 7.956 1.00 50.00 C +ATOM 911 H ILE A 56 1.577 -3.680 10.179 1.00 50.00 H +ATOM 912 HA ILE A 56 2.443 -4.168 7.509 1.00 50.00 H +ATOM 913 HB ILE A 56 2.690 -5.741 9.488 1.00 50.00 H +ATOM 914 1HG1 ILE A 56 1.592 -7.604 7.612 1.00 50.00 H +ATOM 915 2HG1 ILE A 56 2.317 -6.271 6.712 1.00 50.00 H +ATOM 916 1HG2 ILE A 56 -0.167 -6.424 8.747 1.00 50.00 H +ATOM 917 2HG2 ILE A 56 0.841 -7.317 9.884 1.00 50.00 H +ATOM 918 3HG2 ILE A 56 0.356 -5.665 10.249 1.00 50.00 H +ATOM 919 1HD1 ILE A 56 4.167 -6.743 8.719 1.00 50.00 H +ATOM 920 2HD1 ILE A 56 3.612 -8.364 8.302 1.00 50.00 H +ATOM 921 3HD1 ILE A 56 4.294 -7.317 7.057 1.00 50.00 H +ATOM 922 N PHE A 57 -0.790 -4.478 8.027 1.00 50.00 N +ATOM 923 CA PHE A 57 -2.104 -4.486 7.319 1.00 50.00 C +ATOM 924 C PHE A 57 -2.201 -3.262 6.412 1.00 50.00 C +ATOM 925 O PHE A 57 -2.590 -3.358 5.265 1.00 50.00 O +ATOM 926 CB PHE A 57 -3.253 -4.459 8.333 1.00 50.00 C +ATOM 927 CG PHE A 57 -3.822 -5.851 8.480 1.00 50.00 C +ATOM 928 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 50.00 C +ATOM 929 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 50.00 C +ATOM 930 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 50.00 C +ATOM 931 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 50.00 C +ATOM 932 CZ PHE A 57 -4.876 -8.431 8.751 1.00 50.00 C +ATOM 933 H PHE A 57 -0.761 -4.493 9.007 1.00 50.00 H +ATOM 934 HA PHE A 57 -2.178 -5.382 6.718 1.00 50.00 H +ATOM 935 1HB PHE A 57 -2.889 -4.114 9.290 1.00 50.00 H +ATOM 936 2HB PHE A 57 -4.026 -3.792 7.982 1.00 50.00 H +ATOM 937 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 50.00 H +ATOM 938 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 50.00 H +ATOM 939 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 50.00 H +ATOM 940 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 50.00 H +ATOM 941 HZ PHE A 57 -5.282 -9.426 8.854 1.00 50.00 H +ATOM 942 N GLY A 58 -1.860 -2.109 6.916 1.00 50.00 N +ATOM 943 CA GLY A 58 -1.944 -0.879 6.079 1.00 50.00 C +ATOM 944 C GLY A 58 -1.104 -1.069 4.816 1.00 50.00 C +ATOM 945 O GLY A 58 -1.550 -0.791 3.722 1.00 50.00 O +ATOM 946 H GLY A 58 -1.556 -2.049 7.847 1.00 50.00 H +ATOM 947 1HA GLY A 58 -2.975 -0.700 5.804 1.00 50.00 H +ATOM 948 2HA GLY A 58 -1.567 -0.035 6.637 1.00 50.00 H +ATOM 949 N VAL A 59 0.103 -1.549 4.949 1.00 50.00 N +ATOM 950 CA VAL A 59 0.941 -1.756 3.736 1.00 50.00 C +ATOM 951 C VAL A 59 0.193 -2.684 2.776 1.00 50.00 C +ATOM 952 O VAL A 59 0.058 -2.403 1.600 1.00 50.00 O +ATOM 953 CB VAL A 59 2.272 -2.387 4.143 1.00 50.00 C +ATOM 954 CG1 VAL A 59 3.116 -2.655 2.896 1.00 50.00 C +ATOM 955 CG2 VAL A 59 3.021 -1.426 5.071 1.00 50.00 C +ATOM 956 H VAL A 59 0.451 -1.777 5.837 1.00 50.00 H +ATOM 957 HA VAL A 59 1.124 -0.809 3.253 1.00 50.00 H +ATOM 958 HB VAL A 59 2.086 -3.319 4.659 1.00 50.00 H +ATOM 959 1HG1 VAL A 59 2.468 -2.738 2.035 1.00 50.00 H +ATOM 960 2HG1 VAL A 59 3.809 -1.839 2.748 1.00 50.00 H +ATOM 961 3HG1 VAL A 59 3.665 -3.576 3.024 1.00 50.00 H +ATOM 962 1HG2 VAL A 59 2.314 -0.762 5.549 1.00 50.00 H +ATOM 963 2HG2 VAL A 59 3.550 -1.991 5.825 1.00 50.00 H +ATOM 964 3HG2 VAL A 59 3.726 -0.845 4.496 1.00 50.00 H +ATOM 965 N MET A 60 -0.323 -3.774 3.276 1.00 50.00 N +ATOM 966 CA MET A 60 -1.094 -4.700 2.401 1.00 50.00 C +ATOM 967 C MET A 60 -2.254 -3.926 1.773 1.00 50.00 C +ATOM 968 O MET A 60 -2.497 -3.992 0.583 1.00 50.00 O +ATOM 969 CB MET A 60 -1.641 -5.858 3.238 1.00 50.00 C +ATOM 970 CG MET A 60 -0.478 -6.620 3.877 1.00 50.00 C +ATOM 971 SD MET A 60 -1.054 -8.243 4.436 1.00 50.00 S +ATOM 972 CE MET A 60 -2.280 -7.654 5.630 1.00 50.00 C +ATOM 973 H MET A 60 -0.224 -3.971 4.232 1.00 50.00 H +ATOM 974 HA MET A 60 -0.450 -5.085 1.623 1.00 50.00 H +ATOM 975 1HB MET A 60 -2.287 -5.468 4.012 1.00 50.00 H +ATOM 976 2HB MET A 60 -2.203 -6.527 2.604 1.00 50.00 H +ATOM 977 1HG MET A 60 0.310 -6.750 3.151 1.00 50.00 H +ATOM 978 2HG MET A 60 -0.103 -6.061 4.721 1.00 50.00 H +ATOM 979 1HE MET A 60 -2.890 -6.888 5.171 1.00 50.00 H +ATOM 980 2HE MET A 60 -2.909 -8.473 5.937 1.00 50.00 H +ATOM 981 3HE MET A 60 -1.773 -7.247 6.495 1.00 50.00 H +ATOM 982 N ALA A 61 -2.967 -3.187 2.580 1.00 50.00 N +ATOM 983 CA ALA A 61 -4.115 -2.391 2.068 1.00 50.00 C +ATOM 984 C ALA A 61 -3.638 -1.441 0.964 1.00 50.00 C +ATOM 985 O ALA A 61 -4.262 -1.329 -0.073 1.00 50.00 O +ATOM 986 CB ALA A 61 -4.761 -1.600 3.215 1.00 50.00 C +ATOM 987 H ALA A 61 -2.741 -3.154 3.532 1.00 50.00 H +ATOM 988 HA ALA A 61 -4.850 -3.067 1.652 1.00 50.00 H +ATOM 989 1HB ALA A 61 -4.117 -1.623 4.082 1.00 50.00 H +ATOM 990 2HB ALA A 61 -4.922 -0.576 2.909 1.00 50.00 H +ATOM 991 3HB ALA A 61 -5.711 -2.049 3.467 1.00 50.00 H +ATOM 992 N GLY A 62 -2.547 -0.744 1.170 1.00 50.00 N +ATOM 993 CA GLY A 62 -2.071 0.195 0.118 1.00 50.00 C +ATOM 994 C GLY A 62 -1.867 -0.571 -1.186 1.00 50.00 C +ATOM 995 O GLY A 62 -2.311 -0.149 -2.235 1.00 50.00 O +ATOM 996 H GLY A 62 -2.048 -0.834 2.007 1.00 50.00 H +ATOM 997 1HA GLY A 62 -2.807 0.974 -0.029 1.00 50.00 H +ATOM 998 2HA GLY A 62 -1.135 0.635 0.424 1.00 50.00 H +ATOM 999 N VAL A 63 -1.212 -1.699 -1.139 1.00 50.00 N +ATOM 1000 CA VAL A 63 -1.011 -2.474 -2.397 1.00 50.00 C +ATOM 1001 C VAL A 63 -2.378 -2.781 -3.018 1.00 50.00 C +ATOM 1002 O VAL A 63 -2.596 -2.580 -4.197 1.00 50.00 O +ATOM 1003 CB VAL A 63 -0.285 -3.784 -2.087 1.00 50.00 C +ATOM 1004 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 50.00 C +ATOM 1005 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 50.00 C +ATOM 1006 H VAL A 63 -0.861 -2.036 -0.285 1.00 50.00 H +ATOM 1007 HA VAL A 63 -0.422 -1.889 -3.090 1.00 50.00 H +ATOM 1008 HB VAL A 63 -0.882 -4.373 -1.408 1.00 50.00 H +ATOM 1009 1HG1 VAL A 63 -0.997 -4.624 -3.930 1.00 50.00 H +ATOM 1010 2HG1 VAL A 63 0.674 -4.062 -3.988 1.00 50.00 H +ATOM 1011 3HG1 VAL A 63 0.277 -5.562 -3.150 1.00 50.00 H +ATOM 1012 1HG2 VAL A 63 1.555 -2.681 -1.991 1.00 50.00 H +ATOM 1013 2HG2 VAL A 63 0.921 -3.172 -0.420 1.00 50.00 H +ATOM 1014 3HG2 VAL A 63 1.690 -4.361 -1.472 1.00 50.00 H +ATOM 1015 N ILE A 64 -3.305 -3.257 -2.227 1.00 50.00 N +ATOM 1016 CA ILE A 64 -4.661 -3.568 -2.763 1.00 50.00 C +ATOM 1017 C ILE A 64 -5.271 -2.314 -3.398 1.00 50.00 C +ATOM 1018 O ILE A 64 -5.803 -2.356 -4.489 1.00 50.00 O +ATOM 1019 CB ILE A 64 -5.560 -4.050 -1.624 1.00 50.00 C +ATOM 1020 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 50.00 C +ATOM 1021 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 50.00 C +ATOM 1022 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 50.00 C +ATOM 1023 H ILE A 64 -3.110 -3.409 -1.278 1.00 50.00 H +ATOM 1024 HA ILE A 64 -4.582 -4.345 -3.509 1.00 50.00 H +ATOM 1025 HB ILE A 64 -5.529 -3.335 -0.814 1.00 50.00 H +ATOM 1026 1HG1 ILE A 64 -5.463 -6.190 -1.760 1.00 50.00 H +ATOM 1027 2HG1 ILE A 64 -3.986 -5.435 -1.159 1.00 50.00 H +ATOM 1028 1HG2 ILE A 64 -6.999 -4.697 -3.081 1.00 50.00 H +ATOM 1029 2HG2 ILE A 64 -7.579 -4.750 -1.416 1.00 50.00 H +ATOM 1030 3HG2 ILE A 64 -7.431 -3.203 -2.249 1.00 50.00 H +ATOM 1031 1HD1 ILE A 64 -5.461 -4.704 0.861 1.00 50.00 H +ATOM 1032 2HD1 ILE A 64 -6.560 -5.969 0.309 1.00 50.00 H +ATOM 1033 3HD1 ILE A 64 -4.911 -6.379 0.781 1.00 50.00 H +ATOM 1034 N GLY A 65 -5.205 -1.198 -2.720 1.00 50.00 N +ATOM 1035 CA GLY A 65 -5.790 0.052 -3.281 1.00 50.00 C +ATOM 1036 C GLY A 65 -5.162 0.350 -4.642 1.00 50.00 C +ATOM 1037 O GLY A 65 -5.849 0.644 -5.600 1.00 50.00 O +ATOM 1038 H GLY A 65 -4.779 -1.184 -1.838 1.00 50.00 H +ATOM 1039 1HA GLY A 65 -6.857 -0.071 -3.395 1.00 50.00 H +ATOM 1040 2HA GLY A 65 -5.591 0.874 -2.611 1.00 50.00 H +ATOM 1041 N THR A 66 -3.863 0.275 -4.741 1.00 50.00 N +ATOM 1042 CA THR A 66 -3.207 0.554 -6.048 1.00 50.00 C +ATOM 1043 C THR A 66 -3.780 -0.388 -7.107 1.00 50.00 C +ATOM 1044 O THR A 66 -4.144 0.026 -8.190 1.00 50.00 O +ATOM 1045 CB THR A 66 -1.698 0.331 -5.925 1.00 50.00 C +ATOM 1046 OG1 THR A 66 -1.204 1.052 -4.804 1.00 50.00 O +ATOM 1047 CG2 THR A 66 -1.006 0.823 -7.198 1.00 50.00 C +ATOM 1048 H THR A 66 -3.322 0.034 -3.959 1.00 50.00 H +ATOM 1049 HA THR A 66 -3.399 1.578 -6.336 1.00 50.00 H +ATOM 1050 HB THR A 66 -1.498 -0.721 -5.794 1.00 50.00 H +ATOM 1051 HG1 THR A 66 -1.525 0.620 -4.008 1.00 50.00 H +ATOM 1052 1HG2 THR A 66 -1.502 0.405 -8.062 1.00 50.00 H +ATOM 1053 2HG2 THR A 66 -1.057 1.901 -7.242 1.00 50.00 H +ATOM 1054 3HG2 THR A 66 0.028 0.512 -7.190 1.00 50.00 H +ATOM 1055 N ILE A 67 -3.872 -1.654 -6.801 1.00 50.00 N +ATOM 1056 CA ILE A 67 -4.433 -2.616 -7.791 1.00 50.00 C +ATOM 1057 C ILE A 67 -5.841 -2.165 -8.189 1.00 50.00 C +ATOM 1058 O ILE A 67 -6.184 -2.115 -9.353 1.00 50.00 O +ATOM 1059 CB ILE A 67 -4.498 -4.012 -7.168 1.00 50.00 C +ATOM 1060 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 50.00 C +ATOM 1061 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 50.00 C +ATOM 1062 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 50.00 C +ATOM 1063 H ILE A 67 -3.580 -1.970 -5.920 1.00 50.00 H +ATOM 1064 HA ILE A 67 -3.801 -2.642 -8.667 1.00 50.00 H +ATOM 1065 HB ILE A 67 -4.953 -3.949 -6.190 1.00 50.00 H +ATOM 1066 1HG1 ILE A 67 -2.722 -4.870 -8.014 1.00 50.00 H +ATOM 1067 2HG1 ILE A 67 -2.429 -3.825 -6.624 1.00 50.00 H +ATOM 1068 1HG2 ILE A 67 -5.576 -4.419 -8.978 1.00 50.00 H +ATOM 1069 2HG2 ILE A 67 -4.768 -5.824 -8.285 1.00 50.00 H +ATOM 1070 3HG2 ILE A 67 -6.244 -5.202 -7.546 1.00 50.00 H +ATOM 1071 1HD1 ILE A 67 -3.536 -5.523 -5.165 1.00 50.00 H +ATOM 1072 2HD1 ILE A 67 -3.688 -6.582 -6.566 1.00 50.00 H +ATOM 1073 3HD1 ILE A 67 -2.090 -6.147 -5.960 1.00 50.00 H +ATOM 1074 N LEU A 68 -6.654 -1.828 -7.225 1.00 50.00 N +ATOM 1075 CA LEU A 68 -8.036 -1.371 -7.533 1.00 50.00 C +ATOM 1076 C LEU A 68 -7.963 -0.162 -8.476 1.00 50.00 C +ATOM 1077 O LEU A 68 -8.666 -0.088 -9.464 1.00 50.00 O +ATOM 1078 CB LEU A 68 -8.758 -1.027 -6.210 1.00 50.00 C +ATOM 1079 CG LEU A 68 -9.339 0.393 -6.232 1.00 50.00 C +ATOM 1080 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 50.00 C +ATOM 1081 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 50.00 C +ATOM 1082 H LEU A 68 -6.353 -1.870 -6.293 1.00 50.00 H +ATOM 1083 HA LEU A 68 -8.568 -2.171 -8.030 1.00 50.00 H +ATOM 1084 1HB LEU A 68 -9.561 -1.731 -6.053 1.00 50.00 H +ATOM 1085 2HB LEU A 68 -8.055 -1.108 -5.394 1.00 50.00 H +ATOM 1086 HG LEU A 68 -8.589 1.081 -6.591 1.00 50.00 H +ATOM 1087 1HD1 LEU A 68 -11.151 -0.454 -7.012 1.00 50.00 H +ATOM 1088 2HD1 LEU A 68 -11.153 1.307 -6.926 1.00 50.00 H +ATOM 1089 3HD1 LEU A 68 -10.229 0.487 -8.184 1.00 50.00 H +ATOM 1090 1HD2 LEU A 68 -9.616 -0.048 -4.148 1.00 50.00 H +ATOM 1091 2HD2 LEU A 68 -9.163 1.625 -4.481 1.00 50.00 H +ATOM 1092 3HD2 LEU A 68 -10.804 1.071 -4.816 1.00 50.00 H +ATOM 1093 N LEU A 69 -7.120 0.789 -8.172 1.00 50.00 N +ATOM 1094 CA LEU A 69 -7.008 1.991 -9.048 1.00 50.00 C +ATOM 1095 C LEU A 69 -6.666 1.556 -10.474 1.00 50.00 C +ATOM 1096 O LEU A 69 -7.269 2.002 -11.429 1.00 50.00 O +ATOM 1097 CB LEU A 69 -5.905 2.912 -8.516 1.00 50.00 C +ATOM 1098 CG LEU A 69 -5.953 4.249 -9.259 1.00 50.00 C +ATOM 1099 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 50.00 C +ATOM 1100 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 50.00 C +ATOM 1101 H LEU A 69 -6.563 0.709 -7.368 1.00 50.00 H +ATOM 1102 HA LEU A 69 -7.950 2.524 -9.054 1.00 50.00 H +ATOM 1103 1HB LEU A 69 -6.056 3.081 -7.460 1.00 50.00 H +ATOM 1104 2HB LEU A 69 -4.942 2.449 -8.674 1.00 50.00 H +ATOM 1105 HG LEU A 69 -5.755 4.085 -10.309 1.00 50.00 H +ATOM 1106 1HD1 LEU A 69 -7.737 4.623 -8.124 1.00 50.00 H +ATOM 1107 2HD1 LEU A 69 -7.256 5.952 -9.177 1.00 50.00 H +ATOM 1108 3HD1 LEU A 69 -7.996 4.507 -9.864 1.00 50.00 H +ATOM 1109 1HD2 LEU A 69 -4.280 4.654 -7.972 1.00 50.00 H +ATOM 1110 2HD2 LEU A 69 -4.277 5.573 -9.479 1.00 50.00 H +ATOM 1111 3HD2 LEU A 69 -5.383 6.015 -8.179 1.00 50.00 H +ATOM 1112 N ILE A 70 -5.705 0.687 -10.629 1.00 50.00 N +ATOM 1113 CA ILE A 70 -5.336 0.228 -11.998 1.00 50.00 C +ATOM 1114 C ILE A 70 -6.563 -0.366 -12.683 1.00 50.00 C +ATOM 1115 O ILE A 70 -6.864 -0.045 -13.815 1.00 50.00 O +ATOM 1116 CB ILE A 70 -4.238 -0.832 -11.904 1.00 50.00 C +ATOM 1117 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 50.00 C +ATOM 1118 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 50.00 C +ATOM 1119 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 50.00 C +ATOM 1120 H ILE A 70 -5.229 0.334 -9.848 1.00 50.00 H +ATOM 1121 HA ILE A 70 -4.979 1.067 -12.578 1.00 50.00 H +ATOM 1122 HB ILE A 70 -4.577 -1.644 -11.276 1.00 50.00 H +ATOM 1123 1HG1 ILE A 70 -2.503 0.425 -12.035 1.00 50.00 H +ATOM 1124 2HG1 ILE A 70 -3.247 0.382 -10.436 1.00 50.00 H +ATOM 1125 1HG2 ILE A 70 -4.284 -0.669 -14.043 1.00 50.00 H +ATOM 1126 2HG2 ILE A 70 -2.853 -1.482 -13.409 1.00 50.00 H +ATOM 1127 3HG2 ILE A 70 -4.404 -2.321 -13.439 1.00 50.00 H +ATOM 1128 1HD1 ILE A 70 -2.575 -2.193 -10.592 1.00 50.00 H +ATOM 1129 2HD1 ILE A 70 -1.360 -1.558 -11.701 1.00 50.00 H +ATOM 1130 3HD1 ILE A 70 -1.424 -0.978 -10.035 1.00 50.00 H +ATOM 1131 N SER A 71 -7.284 -1.220 -12.011 1.00 50.00 N +ATOM 1132 CA SER A 71 -8.492 -1.807 -12.649 1.00 50.00 C +ATOM 1133 C SER A 71 -9.414 -0.667 -13.069 1.00 50.00 C +ATOM 1134 O SER A 71 -9.898 -0.620 -14.183 1.00 50.00 O +ATOM 1135 CB SER A 71 -9.215 -2.712 -11.651 1.00 50.00 C +ATOM 1136 OG SER A 71 -8.357 -2.976 -10.549 1.00 50.00 O +ATOM 1137 H SER A 71 -7.036 -1.467 -11.096 1.00 50.00 H +ATOM 1138 HA SER A 71 -8.202 -2.379 -13.519 1.00 50.00 H +ATOM 1139 1HB SER A 71 -10.107 -2.222 -11.299 1.00 50.00 H +ATOM 1140 2HB SER A 71 -9.486 -3.640 -12.140 1.00 50.00 H +ATOM 1141 HG SER A 71 -8.902 -3.050 -9.762 1.00 50.00 H +ATOM 1142 N TYR A 72 -9.648 0.266 -12.187 1.00 50.00 N +ATOM 1143 CA TYR A 72 -10.522 1.416 -12.538 1.00 50.00 C +ATOM 1144 C TYR A 72 -9.950 2.131 -13.767 1.00 50.00 C +ATOM 1145 O TYR A 72 -10.658 2.427 -14.708 1.00 50.00 O +ATOM 1146 CB TYR A 72 -10.580 2.390 -11.361 1.00 50.00 C +ATOM 1147 CG TYR A 72 -11.997 2.475 -10.846 1.00 50.00 C +ATOM 1148 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 50.00 C +ATOM 1149 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 50.00 C +ATOM 1150 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 50.00 C +ATOM 1151 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 50.00 C +ATOM 1152 CZ TYR A 72 -14.624 2.637 -9.891 1.00 50.00 C +ATOM 1153 OH TYR A 72 -15.920 2.717 -9.421 1.00 50.00 O +ATOM 1154 H TYR A 72 -9.238 0.213 -11.297 1.00 50.00 H +ATOM 1155 HA TYR A 72 -11.517 1.058 -12.760 1.00 50.00 H +ATOM 1156 1HB TYR A 72 -9.930 2.038 -10.572 1.00 50.00 H +ATOM 1157 2HB TYR A 72 -10.256 3.367 -11.685 1.00 50.00 H +ATOM 1158 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 50.00 H +ATOM 1159 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 50.00 H +ATOM 1160 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 50.00 H +ATOM 1161 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 50.00 H +ATOM 1162 HH TYR A 72 -15.906 3.214 -8.599 1.00 50.00 H +ATOM 1163 N GLY A 73 -8.670 2.405 -13.767 1.00 50.00 N +ATOM 1164 CA GLY A 73 -8.058 3.094 -14.938 1.00 50.00 C +ATOM 1165 C GLY A 73 -8.314 2.269 -16.198 1.00 50.00 C +ATOM 1166 O GLY A 73 -8.734 2.784 -17.215 1.00 50.00 O +ATOM 1167 H GLY A 73 -8.113 2.157 -13.001 1.00 50.00 H +ATOM 1168 1HA GLY A 73 -8.498 4.074 -15.050 1.00 50.00 H +ATOM 1169 2HA GLY A 73 -6.994 3.190 -14.786 1.00 50.00 H +ATOM 1170 N ILE A 74 -8.073 0.988 -16.135 1.00 0.00 N +ATOM 1171 CA ILE A 74 -8.317 0.133 -17.332 1.00 0.00 C +ATOM 1172 C ILE A 74 -9.781 0.283 -17.758 1.00 0.00 C +ATOM 1173 O ILE A 74 -10.082 0.473 -18.918 1.00 0.00 O +ATOM 1174 CB ILE A 74 -8.007 -1.334 -16.993 1.00 0.00 C +ATOM 1175 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 0.00 C +ATOM 1176 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 0.00 C +ATOM 1177 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 0.00 C +ATOM 1178 H ILE A 74 -7.737 0.590 -15.301 1.00 0.00 H +ATOM 1179 HA ILE A 74 -7.674 0.458 -18.139 1.00 0.00 H +ATOM 1180 HB ILE A 74 -8.338 -1.550 -15.989 1.00 0.00 H +ATOM 1181 1HG1 ILE A 74 -6.312 -2.550 -17.507 1.00 0.00 H +ATOM 1182 2HG1 ILE A 74 -6.062 -0.820 -17.745 1.00 0.00 H +ATOM 1183 1HG2 ILE A 74 -8.746 -1.808 -18.955 1.00 0.00 H +ATOM 1184 2HG2 ILE A 74 -8.201 -3.207 -18.030 1.00 0.00 H +ATOM 1185 3HG2 ILE A 74 -9.737 -2.434 -17.638 1.00 0.00 H +ATOM 1186 1HD1 ILE A 74 -6.547 -1.861 -14.973 1.00 0.00 H +ATOM 1187 2HD1 ILE A 74 -4.945 -2.033 -15.691 1.00 0.00 H +ATOM 1188 3HD1 ILE A 74 -5.653 -0.431 -15.486 1.00 0.00 H +ATOM 1189 N ARG A 75 -10.691 0.199 -16.825 1.00 0.00 N +ATOM 1190 CA ARG A 75 -12.136 0.339 -17.174 1.00 0.00 C +ATOM 1191 C ARG A 75 -12.369 1.682 -17.864 1.00 0.00 C +ATOM 1192 O ARG A 75 -13.025 1.754 -18.885 1.00 0.00 O +ATOM 1193 CB ARG A 75 -12.990 0.260 -15.904 1.00 0.00 C +ATOM 1194 CG ARG A 75 -14.446 -0.010 -16.285 1.00 0.00 C +ATOM 1195 CD ARG A 75 -15.272 1.263 -16.091 1.00 0.00 C +ATOM 1196 NE ARG A 75 -15.021 1.815 -14.730 1.00 0.00 N +ATOM 1197 CZ ARG A 75 -15.373 3.040 -14.448 1.00 0.00 C +ATOM 1198 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 0.00 N +ATOM 1199 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 0.00 N +ATOM 1200 H ARG A 75 -10.422 0.046 -15.896 1.00 0.00 H +ATOM 1201 HA ARG A 75 -12.419 -0.458 -17.849 1.00 0.00 H +ATOM 1202 1HB ARG A 75 -12.628 -0.541 -15.274 1.00 0.00 H +ATOM 1203 2HB ARG A 75 -12.928 1.196 -15.369 1.00 0.00 H +ATOM 1204 1HG ARG A 75 -14.495 -0.318 -17.320 1.00 0.00 H +ATOM 1205 2HG ARG A 75 -14.843 -0.794 -15.656 1.00 0.00 H +ATOM 1206 1HD ARG A 75 -14.987 1.993 -16.834 1.00 0.00 H +ATOM 1207 2HD ARG A 75 -16.322 1.031 -16.197 1.00 0.00 H +ATOM 1208 HE ARG A 75 -14.591 1.260 -14.047 1.00 0.00 H +ATOM 1209 1HH1 ARG A 75 -17.276 2.787 -15.017 1.00 0.00 H +ATOM 1210 2HH1 ARG A 75 -16.874 4.367 -14.433 1.00 0.00 H +ATOM 1211 1HH2 ARG A 75 -13.553 3.580 -13.813 1.00 0.00 H +ATOM 1212 2HH2 ARG A 75 -14.766 4.816 -13.751 1.00 0.00 H +ATOM 1213 N ARG A 76 -11.839 2.750 -17.329 1.00 0.00 N +ATOM 1214 CA ARG A 76 -12.046 4.070 -17.985 1.00 0.00 C +ATOM 1215 C ARG A 76 -11.541 3.960 -19.420 1.00 0.00 C +ATOM 1216 O ARG A 76 -12.216 4.328 -20.359 1.00 0.00 O +ATOM 1217 CB ARG A 76 -11.256 5.148 -17.239 1.00 0.00 C +ATOM 1218 CG ARG A 76 -11.601 6.524 -17.811 1.00 0.00 C +ATOM 1219 CD ARG A 76 -11.544 7.570 -16.696 1.00 0.00 C +ATOM 1220 NE ARG A 76 -11.975 8.895 -17.227 1.00 0.00 N +ATOM 1221 CZ ARG A 76 -11.658 9.250 -18.443 1.00 0.00 C +ATOM 1222 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 0.00 N +ATOM 1223 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 0.00 N +ATOM 1224 H ARG A 76 -11.309 2.682 -16.508 1.00 0.00 H +ATOM 1225 HA ARG A 76 -13.097 4.317 -17.987 1.00 0.00 H +ATOM 1226 1HB ARG A 76 -11.513 5.120 -16.189 1.00 0.00 H +ATOM 1227 2HB ARG A 76 -10.199 4.966 -17.356 1.00 0.00 H +ATOM 1228 1HG ARG A 76 -10.891 6.780 -18.584 1.00 0.00 H +ATOM 1229 2HG ARG A 76 -12.596 6.501 -18.230 1.00 0.00 H +ATOM 1230 1HD ARG A 76 -12.203 7.275 -15.893 1.00 0.00 H +ATOM 1231 2HD ARG A 76 -10.533 7.643 -16.323 1.00 0.00 H +ATOM 1232 HE ARG A 76 -12.498 9.503 -16.662 1.00 0.00 H +ATOM 1233 1HH1 ARG A 76 -9.814 9.856 -17.950 1.00 0.00 H +ATOM 1234 2HH1 ARG A 76 -10.234 10.017 -19.623 1.00 0.00 H +ATOM 1235 1HH2 ARG A 76 -13.427 8.726 -19.222 1.00 0.00 H +ATOM 1236 2HH2 ARG A 76 -12.279 9.378 -20.343 1.00 0.00 H +ATOM 1237 N LEU A 77 -10.372 3.412 -19.595 1.00 0.00 N +ATOM 1238 CA LEU A 77 -9.838 3.226 -20.968 1.00 0.00 C +ATOM 1239 C LEU A 77 -10.847 2.389 -21.754 1.00 0.00 C +ATOM 1240 O LEU A 77 -11.184 2.700 -22.877 1.00 0.00 O +ATOM 1241 CB LEU A 77 -8.499 2.489 -20.903 1.00 0.00 C +ATOM 1242 CG LEU A 77 -7.354 3.498 -20.979 1.00 0.00 C +ATOM 1243 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 0.00 C +ATOM 1244 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 0.00 C +ATOM 1245 H LEU A 77 -9.860 3.093 -18.823 1.00 0.00 H +ATOM 1246 HA LEU A 77 -9.707 4.186 -21.445 1.00 0.00 H +ATOM 1247 1HB LEU A 77 -8.435 1.940 -19.974 1.00 0.00 H +ATOM 1248 2HB LEU A 77 -8.425 1.802 -21.733 1.00 0.00 H +ATOM 1249 HG LEU A 77 -7.602 4.369 -20.388 1.00 0.00 H +ATOM 1250 1HD1 LEU A 77 -6.215 1.793 -20.345 1.00 0.00 H +ATOM 1251 2HD1 LEU A 77 -5.255 3.063 -21.106 1.00 0.00 H +ATOM 1252 3HD1 LEU A 77 -5.854 3.274 -19.460 1.00 0.00 H +ATOM 1253 1HD2 LEU A 77 -8.090 3.976 -22.938 1.00 0.00 H +ATOM 1254 2HD2 LEU A 77 -6.646 4.873 -22.467 1.00 0.00 H +ATOM 1255 3HD2 LEU A 77 -6.518 3.176 -22.929 1.00 0.00 H +ATOM 1256 N ILE A 78 -11.311 1.322 -21.144 1.00 0.00 N +ATOM 1257 CA ILE A 78 -12.300 0.399 -21.779 1.00 0.00 C +ATOM 1258 C ILE A 78 -11.558 -0.754 -22.449 1.00 0.00 C +ATOM 1259 O ILE A 78 -10.995 -0.618 -23.516 1.00 0.00 O +ATOM 1260 CB ILE A 78 -13.168 1.137 -22.798 1.00 0.00 C +ATOM 1261 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 0.00 C +ATOM 1262 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 0.00 C +ATOM 1263 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 0.00 C +ATOM 1264 H ILE A 78 -10.995 1.123 -20.241 1.00 0.00 H +ATOM 1265 HA ILE A 78 -12.939 -0.006 -21.005 1.00 0.00 H +ATOM 1266 HB ILE A 78 -12.565 1.442 -23.637 1.00 0.00 H +ATOM 1267 1HG1 ILE A 78 -14.843 2.195 -21.975 1.00 0.00 H +ATOM 1268 2HG1 ILE A 78 -13.310 2.523 -21.165 1.00 0.00 H +ATOM 1269 1HG2 ILE A 78 -14.358 -0.639 -22.616 1.00 0.00 H +ATOM 1270 2HG2 ILE A 78 -15.220 0.744 -23.290 1.00 0.00 H +ATOM 1271 3HG2 ILE A 78 -14.055 -0.138 -24.279 1.00 0.00 H +ATOM 1272 1HD1 ILE A 78 -13.193 3.293 -23.965 1.00 0.00 H +ATOM 1273 2HD1 ILE A 78 -14.528 4.101 -23.144 1.00 0.00 H +ATOM 1274 3HD1 ILE A 78 -12.883 4.269 -22.529 1.00 0.00 H +ATOM 1275 N LYS A 79 -11.549 -1.893 -21.810 1.00 0.00 N +ATOM 1276 CA LYS A 79 -10.841 -3.072 -22.378 1.00 0.00 C +ATOM 1277 C LYS A 79 -11.762 -3.803 -23.357 1.00 0.00 C +ATOM 1278 O LYS A 79 -12.865 -4.183 -23.019 1.00 0.00 O +ATOM 1279 CB LYS A 79 -10.447 -4.018 -21.239 1.00 0.00 C +ATOM 1280 CG LYS A 79 -9.148 -4.741 -21.598 1.00 0.00 C +ATOM 1281 CD LYS A 79 -8.868 -5.834 -20.563 1.00 0.00 C +ATOM 1282 CE LYS A 79 -8.755 -7.188 -21.268 1.00 0.00 C +ATOM 1283 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 0.00 N +ATOM 1284 H LYS A 79 -12.008 -1.968 -20.948 1.00 0.00 H +ATOM 1285 HA LYS A 79 -9.951 -2.744 -22.896 1.00 0.00 H +ATOM 1286 1HB LYS A 79 -10.306 -3.447 -20.330 1.00 0.00 H +ATOM 1287 2HB LYS A 79 -11.232 -4.745 -21.088 1.00 0.00 H +ATOM 1288 1HG LYS A 79 -9.243 -5.186 -22.578 1.00 0.00 H +ATOM 1289 2HG LYS A 79 -8.332 -4.034 -21.601 1.00 0.00 H +ATOM 1290 1HD LYS A 79 -7.942 -5.615 -20.051 1.00 0.00 H +ATOM 1291 2HD LYS A 79 -9.676 -5.869 -19.849 1.00 0.00 H +ATOM 1292 1HE LYS A 79 -9.594 -7.317 -21.935 1.00 0.00 H +ATOM 1293 2HE LYS A 79 -7.835 -7.223 -21.833 1.00 0.00 H +ATOM 1294 1HZ LYS A 79 -9.627 -8.226 -19.688 1.00 0.00 H +ATOM 1295 2HZ LYS A 79 -8.709 -9.199 -20.731 1.00 0.00 H +ATOM 1296 3HZ LYS A 79 -7.929 -8.169 -19.627 1.00 0.00 H +ATOM 1297 N LYS A 80 -11.318 -3.995 -24.570 1.00 0.00 N +ATOM 1298 CA LYS A 80 -12.166 -4.698 -25.578 1.00 0.00 C +ATOM 1299 C LYS A 80 -13.409 -3.855 -25.871 1.00 0.00 C +ATOM 1300 O LYS A 80 -14.435 -4.438 -26.180 1.00 0.00 O +ATOM 1301 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 0.00 O +ATOM 1302 CB LYS A 80 -12.597 -6.068 -25.037 1.00 0.00 C +ATOM 1303 CG LYS A 80 -11.368 -6.950 -24.795 1.00 0.00 C +ATOM 1304 CD LYS A 80 -10.712 -7.300 -26.133 1.00 0.00 C +ATOM 1305 CE LYS A 80 -9.211 -7.513 -25.928 1.00 0.00 C +ATOM 1306 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 0.00 N +ATOM 1307 H LYS A 80 -10.426 -3.670 -24.821 1.00 0.00 H +ATOM 1308 HA LYS A 80 -11.603 -4.832 -26.490 1.00 0.00 H +ATOM 1309 1HB LYS A 80 -13.133 -5.935 -24.109 1.00 0.00 H +ATOM 1310 2HB LYS A 80 -13.243 -6.548 -25.756 1.00 0.00 H +ATOM 1311 1HG LYS A 80 -10.659 -6.423 -24.173 1.00 0.00 H +ATOM 1312 2HG LYS A 80 -11.672 -7.859 -24.299 1.00 0.00 H +ATOM 1313 1HD LYS A 80 -11.156 -8.206 -26.523 1.00 0.00 H +ATOM 1314 2HD LYS A 80 -10.867 -6.494 -26.833 1.00 0.00 H +ATOM 1315 1HE LYS A 80 -8.712 -7.496 -26.886 1.00 0.00 H +ATOM 1316 2HE LYS A 80 -8.818 -6.726 -25.303 1.00 0.00 H +ATOM 1317 1HZ LYS A 80 -9.894 -9.262 -25.026 1.00 0.00 H +ATOM 1318 2HZ LYS A 80 -8.467 -9.458 -25.926 1.00 0.00 H +ATOM 1319 3HZ LYS A 80 -8.419 -8.696 -24.408 1.00 0.00 H TER HETATM 1321 THKN MEM B 81 15.000 0.000 0.000 1.00 0.00 X HETATM 1322 CNTR MEM B 81 0.000 0.000 0.000 1.00 0.00 X diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json index cb4dff3..01d5207 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/mp_lipid_acc/mp_lipid_acc_dic.json @@ -3,7 +3,7 @@ "2": "true", "3": "true", "4": "true", - "5": "false", + "5": "true", "6": "false", "7": "false", "8": "false", @@ -31,9 +31,9 @@ "30": "true", "31": "true", "32": "true", - "33": "true", - "34": "true", - "35": "true", + "33": "false", + "34": "false", + "35": "false", "36": "false", "37": "false", "38": "false", diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pdb index 4f46fc2..35fcdeb 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pdb @@ -1,1324 +1,1322 @@ -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 18.74 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 18.11 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 17.30 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 17.26 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 18.42 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 18.58 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 18.59 C -ATOM 8 H1 VAL A 1 1.515 -20.822 8.553 1.00 18.63 H -ATOM 9 H2 VAL A 1 1.445 -20.096 7.018 1.00 19.07 H -ATOM 10 H3 VAL A 1 2.948 -20.460 7.716 1.00 19.08 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 18.15 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 18.56 H -ATOM 13 HG11 VAL A 1 -0.277 -19.650 9.164 1.00 18.56 H -ATOM 14 HG12 VAL A 1 -1.337 -18.334 8.655 1.00 18.83 H -ATOM 15 HG13 VAL A 1 -0.699 -19.465 7.461 1.00 18.58 H -ATOM 16 HG21 VAL A 1 1.546 -16.272 9.094 1.00 18.63 H -ATOM 17 HG22 VAL A 1 -0.159 -16.144 8.663 1.00 18.86 H -ATOM 18 HG23 VAL A 1 0.327 -17.098 10.064 1.00 18.54 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 16.78 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 16.11 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 15.69 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 15.68 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 16.10 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 15.49 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 15.09 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 15.39 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 14.56 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 16.93 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 16.10 H -ATOM 30 HB2 GLN A 2 4.114 -21.223 11.959 1.00 16.14 H -ATOM 31 HB3 GLN A 2 5.395 -20.012 11.957 1.00 16.63 H -ATOM 32 HG2 GLN A 2 5.100 -21.388 14.113 1.00 15.60 H -ATOM 33 HG3 GLN A 2 5.195 -19.638 14.295 1.00 15.40 H -ATOM 34 HE21 GLN A 2 3.509 -18.689 15.456 1.00 14.40 H -ATOM 35 HE22 GLN A 2 2.009 -19.422 15.761 1.00 14.42 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 15.49 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 15.26 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 14.77 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 14.94 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 15.58 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 15.97 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 16.71 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 16.05 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 15.59 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 15.38 H -ATOM 46 HB2 LEU A 3 2.349 -15.694 13.547 1.00 15.74 H -ATOM 47 HB3 LEU A 3 3.613 -14.867 14.459 1.00 15.55 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 15.84 H -ATOM 49 HD11 LEU A 3 0.848 -14.524 12.192 1.00 16.93 H -ATOM 50 HD12 LEU A 3 1.179 -12.895 11.603 1.00 16.80 H -ATOM 51 HD13 LEU A 3 2.141 -14.256 11.023 1.00 17.03 H -ATOM 52 HD21 LEU A 3 2.535 -12.966 15.061 1.00 16.08 H -ATOM 53 HD22 LEU A 3 1.695 -11.912 13.925 1.00 15.96 H -ATOM 54 HD23 LEU A 3 0.975 -13.452 14.397 1.00 16.30 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 14.32 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 14.03 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 13.34 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 13.29 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 14.31 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 14.30 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 14.29 H -ATOM 62 HB1 ALA A 4 7.976 -14.199 12.734 1.00 14.32 H -ATOM 63 HB2 ALA A 4 8.967 -13.600 14.063 1.00 14.34 H -ATOM 64 HB3 ALA A 4 9.018 -15.307 13.625 1.00 14.64 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 12.98 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 12.48 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 11.62 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 11.76 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 12.81 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 13.36 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 13.57 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 13.93 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 14.23 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 14.47 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 13.15 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 12.71 H -ATOM 77 HB2 HIS A 5 5.398 -10.987 16.023 1.00 13.05 H -ATOM 78 HB3 HIS A 5 5.620 -10.307 17.636 1.00 12.61 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 13.40 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 14.07 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 14.63 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 10.90 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 10.21 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 9.43 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 9.32 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 10.37 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 10.53 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 10.58 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 10.88 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 10.97 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 11.15 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 10.94 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 10.38 H -ATOM 94 HB2 HIS A 6 4.112 -14.086 20.125 1.00 10.69 H -ATOM 95 HB3 HIS A 6 3.498 -13.599 21.705 1.00 10.30 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 10.50 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 11.09 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 11.25 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 9.11 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 8.55 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 7.46 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 7.39 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 8.98 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 9.76 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 10.29 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 10.19 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 11.19 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 11.10 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 11.57 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 9.39 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 8.86 H -ATOM 112 HB2 PHE A 7 6.719 -11.356 23.478 1.00 9.18 H -ATOM 113 HB3 PHE A 7 6.504 -10.028 24.620 1.00 8.77 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 10.16 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 9.98 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 11.72 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 11.57 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 12.35 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 6.86 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 6.01 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 5.07 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 5.28 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 6.54 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 7.08 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 7.15 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 6.02 H -ATOM 127 HB2 SER A 8 5.982 -5.131 23.882 1.00 6.79 H -ATOM 128 HB3 SER A 8 6.431 -6.722 24.489 1.00 6.61 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 7.42 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 4.41 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 3.84 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 2.84 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 3.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 4.55 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 5.41 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 6.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 6.49 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 6.28 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 4.61 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 4.12 H -ATOM 141 HB2 GLU A 9 2.341 -2.961 21.018 1.00 4.86 H -ATOM 142 HB3 GLU A 9 1.671 -3.768 19.600 1.00 4.60 H -ATOM 143 HG2 GLU A 9 1.236 -5.716 21.372 1.00 5.70 H -ATOM 144 HG3 GLU A 9 1.243 -4.358 22.497 1.00 5.72 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 2.18 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 1.51 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 1.23 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 1.13 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 1.87 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 2.49 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 2.65 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 1.77 H -ATOM 153 HB2 PRO A 10 6.953 -4.952 16.355 1.00 2.10 H -ATOM 154 HB3 PRO A 10 8.045 -5.214 17.721 1.00 2.10 H -ATOM 155 HG2 PRO A 10 5.833 -6.875 16.885 1.00 3.08 H -ATOM 156 HG3 PRO A 10 6.947 -7.145 18.231 1.00 2.65 H -ATOM 157 HD2 PRO A 10 4.185 -6.357 18.373 1.00 3.25 H -ATOM 158 HD3 PRO A 10 5.319 -6.583 19.720 1.00 2.87 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 1.29 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 1.13 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 1.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.97 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 1.32 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 1.94 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 2.47 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 2.89 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 3.01 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 1.55 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 1.09 H -ATOM 170 HB2 GLU A 11 6.853 0.714 17.318 1.00 1.69 H -ATOM 171 HB3 GLU A 11 5.609 1.467 16.319 1.00 1.69 H -ATOM 172 HG2 GLU A 11 4.765 2.151 18.324 1.00 2.39 H -ATOM 173 HG3 GLU A 11 4.094 0.521 18.377 1.00 2.45 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 0.99 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 0.91 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 0.80 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 0.74 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 1.03 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 1.05 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 1.28 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 1.48 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 1.08 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 0.89 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 1.22 H -ATOM 185 HG12 ILE A 12 10.822 -2.356 12.586 1.00 1.37 H -ATOM 186 HG13 ILE A 12 9.246 -2.212 11.808 1.00 1.18 H -ATOM 187 HG21 ILE A 12 8.799 -3.329 15.413 1.00 1.67 H -ATOM 188 HG22 ILE A 12 9.003 -3.984 13.789 1.00 1.67 H -ATOM 189 HG23 ILE A 12 10.412 -3.455 14.709 1.00 1.72 H -ATOM 190 HD11 ILE A 12 9.686 0.312 12.896 1.00 1.86 H -ATOM 191 HD12 ILE A 12 11.267 -0.160 12.271 1.00 2.05 H -ATOM 192 HD13 ILE A 12 9.868 -0.129 11.198 1.00 1.87 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 0.81 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 0.76 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 0.68 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 0.62 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 0.86 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 1.35 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 1.19 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 0.89 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 0.74 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 1.13 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 1.84 H -ATOM 204 HG21 THR A 13 7.912 -5.721 14.906 1.00 1.65 H -ATOM 205 HG22 THR A 13 7.125 -7.157 15.562 1.00 1.61 H -ATOM 206 HG23 THR A 13 7.690 -7.146 13.891 1.00 1.72 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 0.72 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 0.69 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 0.58 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 0.50 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 0.82 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 0.88 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 0.87 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 1.02 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 0.80 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 0.67 H -ATOM 217 HB2 LEU A 14 2.089 -3.078 14.913 1.00 1.22 H -ATOM 218 HB3 LEU A 14 2.151 -1.562 14.014 1.00 0.83 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 1.30 H -ATOM 220 HD11 LEU A 14 0.237 -1.411 15.384 1.00 1.27 H -ATOM 221 HD12 LEU A 14 -0.667 -0.852 13.975 1.00 1.28 H -ATOM 222 HD13 LEU A 14 -1.284 -2.190 14.946 1.00 1.34 H -ATOM 223 HD21 LEU A 14 0.664 -1.509 11.922 1.00 1.44 H -ATOM 224 HD22 LEU A 14 0.400 -3.222 11.594 1.00 1.64 H -ATOM 225 HD23 LEU A 14 -0.954 -2.195 12.067 1.00 1.43 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 0.62 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 0.57 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 0.45 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 0.38 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 0.69 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 0.91 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 0.76 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 1.10 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 0.71 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 0.58 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 0.63 H -ATOM 237 HG12 ILE A 15 3.818 2.192 11.913 1.00 0.92 H -ATOM 238 HG13 ILE A 15 4.088 0.846 13.021 1.00 0.98 H -ATOM 239 HG21 ILE A 15 4.408 1.911 9.510 1.00 1.24 H -ATOM 240 HG22 ILE A 15 5.973 2.324 10.211 1.00 1.27 H -ATOM 241 HG23 ILE A 15 5.828 0.933 9.136 1.00 1.35 H -ATOM 242 HD11 ILE A 15 6.365 2.600 12.102 1.00 1.66 H -ATOM 243 HD12 ILE A 15 5.370 3.040 13.490 1.00 1.56 H -ATOM 244 HD13 ILE A 15 6.296 1.540 13.509 1.00 1.37 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 0.44 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 0.36 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 0.28 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 0.25 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 0.39 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 1.21 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 1.18 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 1.58 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 0.50 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 0.38 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 0.83 H -ATOM 256 HG12 ILE A 16 8.516 -2.734 8.425 1.00 1.92 H -ATOM 257 HG13 ILE A 16 7.901 -2.381 10.039 1.00 1.86 H -ATOM 258 HG21 ILE A 16 6.422 -4.757 7.065 1.00 1.76 H -ATOM 259 HG22 ILE A 16 8.112 -4.844 7.561 1.00 1.82 H -ATOM 260 HG23 ILE A 16 6.926 -5.934 8.278 1.00 1.61 H -ATOM 261 HD11 ILE A 16 9.211 -5.008 9.297 1.00 2.05 H -ATOM 262 HD12 ILE A 16 10.086 -3.653 10.011 1.00 2.07 H -ATOM 263 HD13 ILE A 16 8.792 -4.441 10.913 1.00 2.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 0.31 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 0.32 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 0.30 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 0.30 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 0.41 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 0.80 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 1.52 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 1.66 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 1.97 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 2.09 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 1.95 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 0.36 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 0.32 H -ATOM 277 HB2 PHE A 17 1.924 -4.887 10.445 1.00 0.65 H -ATOM 278 HB3 PHE A 17 0.791 -5.706 9.371 1.00 0.64 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 2.18 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 2.34 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 2.73 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 2.89 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 2.41 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 0.31 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 0.32 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 0.26 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 0.26 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 0.34 H -ATOM 289 HA2 GLY A 18 -0.474 -2.475 7.247 1.00 0.36 H -ATOM 290 HA3 GLY A 18 0.438 -1.089 7.852 1.00 0.35 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 0.23 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 0.22 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 0.21 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 0.22 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 0.24 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 0.28 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 0.28 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 0.24 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 0.24 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 0.25 H -ATOM 301 HG11 VAL A 19 4.415 -1.047 2.547 1.00 1.07 H -ATOM 302 HG12 VAL A 19 5.461 0.194 3.239 1.00 1.05 H -ATOM 303 HG13 VAL A 19 5.986 -1.490 3.217 1.00 1.05 H -ATOM 304 HG21 VAL A 19 3.803 0.365 6.153 1.00 1.03 H -ATOM 305 HG22 VAL A 19 5.539 0.058 6.204 1.00 1.10 H -ATOM 306 HG23 VAL A 19 4.857 1.053 4.918 1.00 1.03 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 0.22 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 0.25 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 0.27 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 0.28 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 0.29 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 0.36 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 1.07 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 1.70 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 0.22 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 0.26 H -ATOM 317 HB2 MET A 20 2.699 -6.028 5.370 1.00 0.33 H -ATOM 318 HB3 MET A 20 2.828 -7.082 3.961 1.00 0.34 H -ATOM 319 HG2 MET A 20 5.189 -5.878 3.715 1.00 0.70 H -ATOM 320 HG3 MET A 20 4.982 -5.632 5.449 1.00 0.72 H -ATOM 321 HE1 MET A 20 6.970 -6.893 3.720 1.00 2.15 H -ATOM 322 HE2 MET A 20 7.575 -7.912 5.023 1.00 2.21 H -ATOM 323 HE3 MET A 20 7.014 -8.650 3.525 1.00 2.23 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 0.28 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 0.32 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 0.30 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 0.30 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 0.37 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 0.29 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 0.34 H -ATOM 331 HB1 ALA A 21 -1.239 -4.012 5.520 1.00 1.10 H -ATOM 332 HB2 ALA A 21 -2.636 -3.839 4.453 1.00 1.10 H -ATOM 333 HB3 ALA A 21 -2.282 -5.395 5.202 1.00 1.06 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 0.28 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 0.27 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 0.23 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 0.23 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 0.28 H -ATOM 339 HA2 GLY A 22 -2.114 -1.684 1.151 1.00 0.30 H -ATOM 340 HA3 GLY A 22 -0.545 -0.911 1.393 1.00 0.28 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 0.21 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 0.19 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 0.20 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 0.19 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 0.22 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 0.28 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 0.27 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 0.21 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 0.19 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 0.26 H -ATOM 351 HG11 VAL A 23 2.853 -4.691 -2.941 1.00 1.04 H -ATOM 352 HG12 VAL A 23 4.186 -5.263 -1.938 1.00 1.03 H -ATOM 353 HG13 VAL A 23 2.639 -6.110 -1.917 1.00 1.04 H -ATOM 354 HG21 VAL A 23 3.137 -2.160 -0.938 1.00 1.09 H -ATOM 355 HG22 VAL A 23 3.944 -3.044 0.357 1.00 1.03 H -ATOM 356 HG23 VAL A 23 4.479 -3.241 -1.311 1.00 1.03 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 0.23 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 0.27 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 0.27 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 0.28 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 0.33 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 0.67 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 0.75 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 1.20 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 0.25 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 0.28 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 0.41 H -ATOM 368 HG12 ILE A 24 0.622 -7.270 1.018 1.00 1.29 H -ATOM 369 HG13 ILE A 24 -0.359 -8.393 1.961 1.00 1.22 H -ATOM 370 HG21 ILE A 24 -2.186 -8.949 -1.123 1.00 1.13 H -ATOM 371 HG22 ILE A 24 -2.016 -9.569 0.518 1.00 1.25 H -ATOM 372 HG23 ILE A 24 -3.316 -8.443 0.133 1.00 1.43 H -ATOM 373 HD11 ILE A 24 0.259 -9.084 -0.886 1.00 1.91 H -ATOM 374 HD12 ILE A 24 1.524 -9.294 0.324 1.00 1.60 H -ATOM 375 HD13 ILE A 24 -0.008 -10.152 0.492 1.00 1.67 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 0.29 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 0.33 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 0.30 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 0.33 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 0.30 H -ATOM 381 HA2 GLY A 25 -4.875 -5.493 -1.780 1.00 0.38 H -ATOM 382 HA3 GLY A 25 -4.454 -3.864 -1.246 1.00 0.37 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 0.25 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 0.25 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 0.26 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 0.32 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 0.24 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 0.34 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 0.31 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 0.24 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 0.31 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 0.22 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 0.40 H -ATOM 394 HG21 THR A 26 -1.096 -2.740 -6.946 1.00 1.10 H -ATOM 395 HG22 THR A 26 -1.145 -1.045 -6.461 1.00 0.98 H -ATOM 396 HG23 THR A 26 0.365 -1.948 -6.355 1.00 1.03 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 0.24 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 0.33 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 0.39 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 0.47 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 0.37 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 0.39 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 0.47 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 0.49 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 0.22 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 0.38 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 0.37 H -ATOM 408 HG12 ILE A 27 1.339 -6.927 -5.942 1.00 0.46 H -ATOM 409 HG13 ILE A 27 0.881 -6.243 -4.383 1.00 0.38 H -ATOM 410 HG21 ILE A 27 -0.940 -8.941 -6.843 1.00 1.04 H -ATOM 411 HG22 ILE A 27 0.575 -9.321 -6.021 1.00 1.19 H -ATOM 412 HG23 ILE A 27 -0.964 -9.778 -5.290 1.00 1.15 H -ATOM 413 HD11 ILE A 27 1.140 -8.798 -3.625 1.00 1.14 H -ATOM 414 HD12 ILE A 27 2.251 -8.821 -4.994 1.00 1.07 H -ATOM 415 HD13 ILE A 27 2.516 -7.696 -3.661 1.00 1.21 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 0.39 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 0.49 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 0.53 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 0.62 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 0.53 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 0.59 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 0.68 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 0.65 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 0.34 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 0.55 H -ATOM 426 HB2 LEU A 28 -5.894 -8.926 -3.958 1.00 0.60 H -ATOM 427 HB3 LEU A 28 -5.177 -7.372 -3.555 1.00 0.54 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 0.61 H -ATOM 429 HD11 LEU A 28 -7.500 -8.412 -6.265 1.00 1.18 H -ATOM 430 HD12 LEU A 28 -8.217 -9.045 -4.783 1.00 1.37 H -ATOM 431 HD13 LEU A 28 -8.919 -7.630 -5.568 1.00 1.06 H -ATOM 432 HD21 LEU A 28 -7.123 -7.383 -2.373 1.00 1.31 H -ATOM 433 HD22 LEU A 28 -7.850 -5.908 -3.009 1.00 1.06 H -ATOM 434 HD23 LEU A 28 -8.716 -7.440 -3.126 1.00 1.25 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 0.49 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 0.57 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 0.60 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 0.71 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 0.56 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 1.24 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 1.76 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 1.92 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 0.44 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 0.65 H -ATOM 445 HB2 LEU A 29 -6.215 -3.323 -6.439 1.00 0.97 H -ATOM 446 HB3 LEU A 29 -4.897 -3.312 -7.612 1.00 0.94 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 1.94 H -ATOM 448 HD11 LEU A 29 -8.540 -3.723 -7.684 1.00 2.23 H -ATOM 449 HD12 LEU A 29 -8.337 -2.085 -7.062 1.00 2.17 H -ATOM 450 HD13 LEU A 29 -8.885 -2.338 -8.720 1.00 2.19 H -ATOM 451 HD21 LEU A 29 -5.702 -1.076 -7.551 1.00 2.33 H -ATOM 452 HD22 LEU A 29 -5.634 -1.142 -9.312 1.00 2.54 H -ATOM 453 HD23 LEU A 29 -7.102 -0.590 -8.507 1.00 2.27 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 0.55 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 0.65 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 0.75 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 0.87 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 0.63 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 0.58 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 0.75 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 0.66 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 0.47 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 0.70 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 0.62 H -ATOM 465 HG12 ILE A 30 -1.532 -3.865 -10.561 1.00 0.65 H -ATOM 466 HG13 ILE A 30 -2.187 -4.150 -8.948 1.00 0.53 H -ATOM 467 HG21 ILE A 30 -1.985 -6.973 -12.031 1.00 1.21 H -ATOM 468 HG22 ILE A 30 -1.135 -5.428 -12.049 1.00 1.08 H -ATOM 469 HG23 ILE A 30 -0.418 -6.820 -11.236 1.00 1.31 H -ATOM 470 HD11 ILE A 30 0.153 -5.717 -9.113 1.00 0.98 H -ATOM 471 HD12 ILE A 30 0.572 -4.152 -9.807 1.00 1.16 H -ATOM 472 HD13 ILE A 30 -0.077 -4.245 -8.170 1.00 1.31 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 0.73 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 0.87 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 0.94 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 1.07 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 0.86 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 1.29 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 0.65 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 0.95 H -ATOM 481 HB2 SER A 31 -5.370 -10.056 -8.498 1.00 1.00 H -ATOM 482 HB3 SER A 31 -5.009 -11.426 -9.544 1.00 1.28 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 1.40 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 0.89 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 1.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 1.05 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 1.18 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 0.96 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 1.27 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 1.62 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 2.13 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 1.95 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 2.53 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 2.15 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 2.64 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 0.80 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 1.09 H -ATOM 498 HB2 TYR A 32 -8.430 -7.136 -9.298 1.00 0.96 H -ATOM 499 HB3 TYR A 32 -9.525 -6.790 -10.637 1.00 1.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 2.19 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 2.77 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 2.53 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 3.38 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 2.82 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 0.97 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 1.05 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 1.16 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 1.29 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 0.88 H -ATOM 510 HA2 GLY A 33 -8.117 -5.739 -14.121 1.00 1.11 H -ATOM 511 HA3 GLY A 33 -6.458 -5.315 -13.695 1.00 0.99 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 1.14 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 1.29 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 1.41 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 1.55 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 1.28 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 1.74 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 1.77 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 2.19 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 1.05 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 1.35 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 1.42 H -ATOM 523 HG12 ILE A 34 -1.999 -10.456 -15.325 1.00 2.09 H -ATOM 524 HG13 ILE A 34 -3.181 -10.328 -16.627 1.00 2.18 H -ATOM 525 HG21 ILE A 34 -5.179 -10.909 -13.539 1.00 2.04 H -ATOM 526 HG22 ILE A 34 -4.623 -11.650 -15.037 1.00 2.31 H -ATOM 527 HG23 ILE A 34 -3.521 -11.490 -13.669 1.00 2.25 H -ATOM 528 HD11 ILE A 34 -2.685 -7.706 -15.563 1.00 2.56 H -ATOM 529 HD12 ILE A 34 -1.143 -8.469 -15.951 1.00 2.60 H -ATOM 530 HD13 ILE A 34 -2.383 -8.305 -17.194 1.00 2.54 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 1.37 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 1.51 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 1.58 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 1.73 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 1.46 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 1.73 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 2.03 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 2.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 2.45 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 2.76 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 3.14 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 1.27 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 1.61 H -ATOM 544 HB2 ARG A 35 -9.198 -10.745 -13.492 1.00 1.77 H -ATOM 545 HB3 ARG A 35 -9.683 -12.271 -14.231 1.00 1.58 H -ATOM 546 HG2 ARG A 35 -7.086 -12.805 -13.528 1.00 2.15 H -ATOM 547 HG3 ARG A 35 -7.595 -11.740 -12.217 1.00 2.19 H -ATOM 548 HD2 ARG A 35 -9.040 -14.248 -13.124 1.00 2.45 H -ATOM 549 HD3 ARG A 35 -8.082 -14.083 -11.654 1.00 2.48 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 2.02 H -ATOM 551 HH11 ARG A 35 -9.859 -14.556 -9.703 1.00 2.90 H -ATOM 552 HH12 ARG A 35 -11.448 -15.205 -9.938 1.00 3.21 H -ATOM 553 HH21 ARG A 35 -12.104 -13.285 -12.750 1.00 3.41 H -ATOM 554 HH22 ARG A 35 -12.718 -14.485 -11.664 1.00 3.66 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 1.50 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 1.59 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 1.69 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 1.84 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 1.50 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 1.77 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 2.23 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 2.70 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 3.07 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 3.56 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 3.58 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 1.38 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 1.68 H -ATOM 568 HB2 ARG A 36 -10.779 -7.278 -15.456 1.00 1.51 H -ATOM 569 HB3 ARG A 36 -9.608 -6.688 -16.636 1.00 1.60 H -ATOM 570 HG2 ARG A 36 -12.155 -7.451 -17.863 1.00 2.13 H -ATOM 571 HG3 ARG A 36 -12.332 -6.162 -16.671 1.00 1.96 H -ATOM 572 HD2 ARG A 36 -10.210 -6.099 -18.826 1.00 2.56 H -ATOM 573 HD3 ARG A 36 -11.815 -5.407 -19.056 1.00 2.57 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 3.18 H -ATOM 575 HH11 ARG A 36 -13.078 -4.084 -17.544 1.00 3.68 H -ATOM 576 HH12 ARG A 36 -13.145 -3.509 -15.912 1.00 4.16 H -ATOM 577 HH21 ARG A 36 -9.726 -3.783 -15.397 1.00 3.74 H -ATOM 578 HH22 ARG A 36 -11.245 -3.340 -14.696 1.00 4.16 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 1.64 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 1.75 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 1.91 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 2.05 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 1.69 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 2.11 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 2.66 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 2.38 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 1.52 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 1.80 H -ATOM 589 HB2 LEU A 37 -5.966 -7.837 -18.456 1.00 1.91 H -ATOM 590 HB3 LEU A 37 -5.533 -8.744 -19.906 1.00 1.94 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 2.63 H -ATOM 592 HD11 LEU A 37 -4.064 -6.727 -19.047 1.00 2.82 H -ATOM 593 HD12 LEU A 37 -3.993 -5.574 -20.379 1.00 3.15 H -ATOM 594 HD13 LEU A 37 -4.941 -5.201 -18.939 1.00 3.10 H -ATOM 595 HD21 LEU A 37 -5.208 -7.960 -21.816 1.00 2.77 H -ATOM 596 HD22 LEU A 37 -6.460 -6.812 -22.291 1.00 2.87 H -ATOM 597 HD23 LEU A 37 -4.798 -6.264 -22.075 1.00 2.45 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 1.90 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 2.06 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 2.14 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 2.20 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 2.05 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 1.98 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 2.03 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 2.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 1.79 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 2.15 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 2.14 H -ATOM 609 HG12 ILE A 38 -6.130 -12.131 -17.575 1.00 2.00 H -ATOM 610 HG13 ILE A 38 -7.854 -12.431 -17.787 1.00 2.02 H -ATOM 611 HG21 ILE A 38 -5.064 -12.654 -20.840 1.00 2.39 H -ATOM 612 HG22 ILE A 38 -4.829 -11.923 -19.253 1.00 2.15 H -ATOM 613 HG23 ILE A 38 -4.576 -13.653 -19.472 1.00 2.23 H -ATOM 614 HD11 ILE A 38 -6.918 -14.975 -17.874 1.00 2.36 H -ATOM 615 HD12 ILE A 38 -5.726 -14.244 -16.797 1.00 2.19 H -ATOM 616 HD13 ILE A 38 -7.440 -14.188 -16.384 1.00 2.20 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 2.35 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 2.45 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 2.85 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 3.21 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 2.30 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 2.60 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 2.94 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 3.56 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 3.91 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 2.55 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 2.58 H -ATOM 628 HB2 LYS A 39 -10.925 -12.317 -18.174 1.00 2.10 H -ATOM 629 HB3 LYS A 39 -12.241 -12.564 -19.322 1.00 2.50 H -ATOM 630 HG2 LYS A 39 -13.333 -13.280 -17.434 1.00 2.77 H -ATOM 631 HG3 LYS A 39 -12.536 -14.799 -17.847 1.00 3.02 H -ATOM 632 HD2 LYS A 39 -10.655 -13.253 -16.383 1.00 3.26 H -ATOM 633 HD3 LYS A 39 -12.182 -13.178 -15.502 1.00 3.12 H -ATOM 634 HE2 LYS A 39 -11.451 -15.848 -16.555 1.00 3.96 H -ATOM 635 HE3 LYS A 39 -10.421 -15.233 -15.264 1.00 3.92 H -ATOM 636 HZ1 LYS A 39 -12.927 -14.629 -14.421 1.00 4.13 H -ATOM 637 HZ2 LYS A 39 -13.138 -16.142 -15.155 1.00 4.14 H -ATOM 638 HZ3 LYS A 39 -12.006 -15.958 -13.903 1.00 4.20 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 3.09 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 3.63 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 4.10 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 4.56 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 3.99 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 4.58 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 5.25 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 6.09 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 6.53 N -ATOM 648 OXT LYS A 40 -11.590 -16.543 -22.385 1.00 4.44 O -ATOM 649 H LYS A 40 -13.071 -14.674 -20.158 1.00 3.09 H -ATOM 650 HA LYS A 40 -14.161 -14.866 -22.232 1.00 3.93 H -ATOM 651 HB2 LYS A 40 -12.896 -12.596 -22.527 1.00 4.02 H -ATOM 652 HB3 LYS A 40 -11.810 -13.532 -23.555 1.00 4.35 H -ATOM 653 HG2 LYS A 40 -14.260 -14.362 -24.459 1.00 5.09 H -ATOM 654 HG3 LYS A 40 -14.590 -12.679 -24.047 1.00 4.47 H -ATOM 655 HD2 LYS A 40 -12.982 -11.863 -25.553 1.00 5.25 H -ATOM 656 HD3 LYS A 40 -12.135 -13.407 -25.630 1.00 5.52 H -ATOM 657 HE2 LYS A 40 -13.445 -12.989 -27.691 1.00 6.55 H -ATOM 658 HE3 LYS A 40 -14.035 -14.409 -26.826 1.00 6.28 H -ATOM 659 HZ1 LYS A 40 -15.575 -12.667 -25.695 1.00 6.71 H -ATOM 660 HZ2 LYS A 40 -15.258 -11.752 -27.090 1.00 6.79 H -ATOM 661 HZ3 LYS A 40 -15.972 -13.285 -27.228 1.00 6.75 H -ATOM 662 N VAL A 41 10.922 3.839 1.467 1.00 19.64 N -ATOM 663 CA VAL A 41 10.922 2.946 2.660 1.00 19.45 C -ATOM 664 C VAL A 41 11.924 3.470 3.690 1.00 18.79 C -ATOM 665 O VAL A 41 12.858 2.788 4.065 1.00 19.02 O -ATOM 666 CB VAL A 41 11.319 1.531 2.237 1.00 19.77 C -ATOM 667 CG1 VAL A 41 12.773 1.530 1.761 1.00 20.22 C -ATOM 668 CG2 VAL A 41 11.175 0.584 3.430 1.00 19.99 C -ATOM 669 H1 VAL A 41 11.602 4.612 1.611 1.00 19.83 H -ATOM 670 H2 VAL A 41 11.192 3.290 0.625 1.00 19.55 H -ATOM 671 H3 VAL A 41 9.971 4.237 1.331 1.00 19.78 H -ATOM 672 HA VAL A 41 9.934 2.928 3.095 1.00 19.68 H -ATOM 673 HB VAL A 41 10.677 1.202 1.432 1.00 19.65 H -ATOM 674 HG11 VAL A 41 13.082 2.542 1.546 1.00 20.58 H -ATOM 675 HG12 VAL A 41 13.404 1.118 2.534 1.00 20.10 H -ATOM 676 HG13 VAL A 41 12.859 0.930 0.867 1.00 20.40 H -ATOM 677 HG21 VAL A 41 10.220 0.749 3.907 1.00 20.15 H -ATOM 678 HG22 VAL A 41 11.233 -0.439 3.087 1.00 19.89 H -ATOM 679 HG23 VAL A 41 11.968 0.772 4.137 1.00 20.21 H -ATOM 680 N GLN A 42 11.741 4.678 4.152 1.00 18.10 N -ATOM 681 CA GLN A 42 12.685 5.241 5.159 1.00 17.56 C -ATOM 682 C GLN A 42 12.590 4.431 6.454 1.00 16.86 C -ATOM 683 O GLN A 42 11.536 3.947 6.817 1.00 16.59 O -ATOM 684 CB GLN A 42 12.323 6.702 5.444 1.00 17.30 C -ATOM 685 CG GLN A 42 12.678 7.573 4.235 1.00 17.01 C -ATOM 686 CD GLN A 42 14.098 7.249 3.768 1.00 16.75 C -ATOM 687 OE1 GLN A 42 14.289 6.722 2.689 1.00 17.03 O -ATOM 688 NE2 GLN A 42 15.109 7.543 4.538 1.00 16.36 N -ATOM 689 H GLN A 42 10.982 5.213 3.838 1.00 18.01 H -ATOM 690 HA GLN A 42 13.693 5.187 4.776 1.00 18.00 H -ATOM 691 HB2 GLN A 42 11.263 6.777 5.642 1.00 17.10 H -ATOM 692 HB3 GLN A 42 12.873 7.046 6.307 1.00 17.65 H -ATOM 693 HG2 GLN A 42 11.980 7.380 3.433 1.00 17.14 H -ATOM 694 HG3 GLN A 42 12.623 8.615 4.516 1.00 17.03 H -ATOM 695 HE21 GLN A 42 14.955 7.968 5.408 1.00 16.23 H -ATOM 696 HE22 GLN A 42 16.022 7.339 4.248 1.00 16.27 H -ATOM 697 N LEU A 43 13.683 4.279 7.151 1.00 16.69 N -ATOM 698 CA LEU A 43 13.652 3.498 8.420 1.00 16.15 C -ATOM 699 C LEU A 43 14.482 4.216 9.485 1.00 15.61 C -ATOM 700 O LEU A 43 14.705 3.701 10.563 1.00 15.57 O -ATOM 701 CB LEU A 43 14.237 2.106 8.175 1.00 16.73 C -ATOM 702 CG LEU A 43 13.415 1.065 8.934 1.00 16.88 C -ATOM 703 CD1 LEU A 43 11.964 1.106 8.452 1.00 17.47 C -ATOM 704 CD2 LEU A 43 13.997 -0.328 8.679 1.00 17.27 C -ATOM 705 H LEU A 43 14.523 4.675 6.840 1.00 17.00 H -ATOM 706 HA LEU A 43 12.632 3.404 8.760 1.00 15.90 H -ATOM 707 HB2 LEU A 43 14.211 1.886 7.117 1.00 17.22 H -ATOM 708 HB3 LEU A 43 15.259 2.080 8.523 1.00 16.67 H -ATOM 709 HG LEU A 43 13.449 1.282 9.993 1.00 16.46 H -ATOM 710 HD11 LEU A 43 11.922 1.571 7.477 1.00 17.89 H -ATOM 711 HD12 LEU A 43 11.577 0.100 8.388 1.00 17.56 H -ATOM 712 HD13 LEU A 43 11.369 1.676 9.149 1.00 17.50 H -ATOM 713 HD21 LEU A 43 15.044 -0.240 8.430 1.00 17.31 H -ATOM 714 HD22 LEU A 43 13.887 -0.932 9.567 1.00 17.40 H -ATOM 715 HD23 LEU A 43 13.470 -0.794 7.859 1.00 17.53 H -ATOM 716 N ALA A 44 14.945 5.401 9.196 1.00 15.34 N -ATOM 717 CA ALA A 44 15.760 6.146 10.196 1.00 14.99 C -ATOM 718 C ALA A 44 14.835 6.805 11.222 1.00 14.10 C -ATOM 719 O ALA A 44 15.270 7.261 12.261 1.00 13.96 O -ATOM 720 CB ALA A 44 16.585 7.221 9.486 1.00 15.58 C -ATOM 721 H ALA A 44 14.757 5.802 8.321 1.00 15.48 H -ATOM 722 HA ALA A 44 16.423 5.457 10.700 1.00 15.10 H -ATOM 723 HB1 ALA A 44 16.074 7.530 8.586 1.00 15.78 H -ATOM 724 HB2 ALA A 44 16.707 8.071 10.141 1.00 15.78 H -ATOM 725 HB3 ALA A 44 17.555 6.821 9.231 1.00 15.73 H -ATOM 726 N HIS A 45 13.561 6.858 10.937 1.00 13.65 N -ATOM 727 CA HIS A 45 12.602 7.485 11.894 1.00 12.91 C -ATOM 728 C HIS A 45 12.691 9.009 11.785 1.00 12.30 C -ATOM 729 O HIS A 45 13.696 9.608 12.110 1.00 12.38 O -ATOM 730 CB HIS A 45 12.948 7.057 13.321 1.00 12.96 C -ATOM 731 CG HIS A 45 11.681 6.764 14.080 1.00 13.34 C -ATOM 732 ND1 HIS A 45 11.040 5.538 14.002 1.00 13.54 N -ATOM 733 CD2 HIS A 45 10.926 7.528 14.935 1.00 13.74 C -ATOM 734 CE1 HIS A 45 9.951 5.599 14.791 1.00 14.03 C -ATOM 735 NE2 HIS A 45 9.835 6.791 15.383 1.00 14.18 N -ATOM 736 H HIS A 45 13.233 6.483 10.094 1.00 13.88 H -ATOM 737 HA HIS A 45 11.598 7.166 11.656 1.00 12.98 H -ATOM 738 HB2 HIS A 45 13.562 6.168 13.291 1.00 13.11 H -ATOM 739 HB3 HIS A 45 13.486 7.851 13.815 1.00 12.79 H -ATOM 740 HD1 HIS A 45 11.326 4.766 13.471 1.00 13.46 H -ATOM 741 HD2 HIS A 45 11.148 8.546 15.218 1.00 13.85 H -ATOM 742 HE1 HIS A 45 9.257 4.783 14.931 1.00 14.39 H -ATOM 743 N HIS A 46 11.642 9.641 11.330 1.00 11.87 N -ATOM 744 CA HIS A 46 11.663 11.126 11.202 1.00 11.46 C -ATOM 745 C HIS A 46 10.453 11.584 10.386 1.00 10.55 C -ATOM 746 O HIS A 46 10.539 12.499 9.591 1.00 10.53 O -ATOM 747 CB HIS A 46 12.947 11.562 10.496 1.00 11.84 C -ATOM 748 CG HIS A 46 13.878 12.195 11.493 1.00 12.35 C -ATOM 749 ND1 HIS A 46 15.168 11.734 11.697 1.00 12.68 N -ATOM 750 CD2 HIS A 46 13.718 13.256 12.350 1.00 12.80 C -ATOM 751 CE1 HIS A 46 15.731 12.506 12.643 1.00 13.29 C -ATOM 752 NE2 HIS A 46 14.890 13.450 13.076 1.00 13.39 N -ATOM 753 H HIS A 46 10.841 9.139 11.075 1.00 11.95 H -ATOM 754 HA HIS A 46 11.623 11.573 12.185 1.00 11.76 H -ATOM 755 HB2 HIS A 46 13.425 10.700 10.053 1.00 11.94 H -ATOM 756 HB3 HIS A 46 12.708 12.277 9.722 1.00 11.86 H -ATOM 757 HD1 HIS A 46 15.594 10.982 11.234 1.00 12.63 H -ATOM 758 HD2 HIS A 46 12.821 13.848 12.447 1.00 12.83 H -ATOM 759 HE1 HIS A 46 16.739 12.379 13.009 1.00 13.77 H -ATOM 760 N PHE A 47 9.325 10.955 10.575 1.00 10.00 N -ATOM 761 CA PHE A 47 8.112 11.355 9.808 1.00 9.29 C -ATOM 762 C PHE A 47 6.882 11.261 10.712 1.00 8.27 C -ATOM 763 O PHE A 47 6.497 12.218 11.354 1.00 8.29 O -ATOM 764 CB PHE A 47 7.938 10.421 8.609 1.00 9.52 C -ATOM 765 CG PHE A 47 8.436 11.107 7.359 1.00 10.43 C -ATOM 766 CD1 PHE A 47 9.807 11.315 7.173 1.00 10.86 C -ATOM 767 CD2 PHE A 47 7.524 11.534 6.387 1.00 11.07 C -ATOM 768 CE1 PHE A 47 10.268 11.950 6.014 1.00 11.86 C -ATOM 769 CE2 PHE A 47 7.985 12.169 5.227 1.00 12.06 C -ATOM 770 CZ PHE A 47 9.357 12.377 5.040 1.00 12.43 C -ATOM 771 H PHE A 47 9.277 10.218 11.220 1.00 10.20 H -ATOM 772 HA PHE A 47 8.226 12.371 9.459 1.00 9.58 H -ATOM 773 HB2 PHE A 47 8.505 9.516 8.773 1.00 9.36 H -ATOM 774 HB3 PHE A 47 6.893 10.175 8.492 1.00 9.45 H -ATOM 775 HD1 PHE A 47 10.510 10.985 7.923 1.00 10.55 H -ATOM 776 HD2 PHE A 47 6.466 11.374 6.530 1.00 10.94 H -ATOM 777 HE1 PHE A 47 11.326 12.110 5.870 1.00 12.32 H -ATOM 778 HE2 PHE A 47 7.282 12.498 4.476 1.00 12.65 H -ATOM 779 HZ PHE A 47 9.712 12.867 4.145 1.00 13.28 H -ATOM 780 N SER A 48 6.261 10.114 10.769 1.00 7.61 N -ATOM 781 CA SER A 48 5.057 9.961 11.633 1.00 6.80 C -ATOM 782 C SER A 48 5.489 9.555 13.043 1.00 5.60 C -ATOM 783 O SER A 48 5.878 8.430 13.285 1.00 5.39 O -ATOM 784 CB SER A 48 4.145 8.883 11.047 1.00 7.36 C -ATOM 785 OG SER A 48 3.607 9.343 9.814 1.00 8.12 O -ATOM 786 H SER A 48 6.587 9.354 10.243 1.00 7.83 H -ATOM 787 HA SER A 48 4.523 10.899 11.676 1.00 6.96 H -ATOM 788 HB2 SER A 48 4.713 7.985 10.873 1.00 7.45 H -ATOM 789 HB3 SER A 48 3.345 8.672 11.745 1.00 7.39 H -ATOM 790 HG SER A 48 3.215 10.207 9.965 1.00 8.23 H -ATOM 791 N GLU A 49 5.424 10.465 13.977 1.00 5.12 N -ATOM 792 CA GLU A 49 5.831 10.134 15.371 1.00 4.22 C -ATOM 793 C GLU A 49 4.836 9.143 15.986 1.00 3.04 C -ATOM 794 O GLU A 49 5.227 8.092 16.453 1.00 3.18 O -ATOM 795 CB GLU A 49 5.867 11.414 16.210 1.00 4.88 C -ATOM 796 CG GLU A 49 7.321 11.828 16.447 1.00 5.77 C -ATOM 797 CD GLU A 49 7.751 12.827 15.371 1.00 6.71 C -ATOM 798 OE1 GLU A 49 7.075 13.831 15.219 1.00 7.29 O -ATOM 799 OE2 GLU A 49 8.748 12.570 14.716 1.00 7.09 O -ATOM 800 H GLU A 49 5.108 11.367 13.760 1.00 5.60 H -ATOM 801 HA GLU A 49 6.815 9.689 15.358 1.00 4.31 H -ATOM 802 HB2 GLU A 49 5.348 12.202 15.685 1.00 5.35 H -ATOM 803 HB3 GLU A 49 5.386 11.235 17.159 1.00 4.66 H -ATOM 804 HG2 GLU A 49 7.411 12.287 17.421 1.00 5.92 H -ATOM 805 HG3 GLU A 49 7.957 10.956 16.400 1.00 5.90 H -ATOM 806 N PRO A 50 3.576 9.506 15.974 1.00 2.28 N -ATOM 807 CA PRO A 50 2.512 8.653 16.536 1.00 1.48 C -ATOM 808 C PRO A 50 2.466 7.303 15.812 1.00 1.33 C -ATOM 809 O PRO A 50 2.901 7.176 14.683 1.00 1.29 O -ATOM 810 CB PRO A 50 1.213 9.437 16.302 1.00 2.00 C -ATOM 811 CG PRO A 50 1.588 10.778 15.622 1.00 2.71 C -ATOM 812 CD PRO A 50 3.110 10.785 15.405 1.00 2.87 C -ATOM 813 HA PRO A 50 2.666 8.508 17.594 1.00 1.64 H -ATOM 814 HB2 PRO A 50 0.555 8.868 15.659 1.00 2.42 H -ATOM 815 HB3 PRO A 50 0.728 9.633 17.245 1.00 2.16 H -ATOM 816 HG2 PRO A 50 1.081 10.861 14.671 1.00 3.49 H -ATOM 817 HG3 PRO A 50 1.310 11.603 16.260 1.00 2.78 H -ATOM 818 HD2 PRO A 50 3.333 10.836 14.349 1.00 3.66 H -ATOM 819 HD3 PRO A 50 3.561 11.612 15.930 1.00 3.03 H -ATOM 820 N GLU A 51 1.940 6.296 16.454 1.00 1.30 N -ATOM 821 CA GLU A 51 1.864 4.955 15.808 1.00 1.19 C -ATOM 822 C GLU A 51 0.907 5.007 14.616 1.00 1.06 C -ATOM 823 O GLU A 51 1.324 4.983 13.476 1.00 1.01 O -ATOM 824 CB GLU A 51 1.354 3.929 16.821 1.00 1.29 C -ATOM 825 CG GLU A 51 2.332 3.834 17.993 1.00 1.90 C -ATOM 826 CD GLU A 51 1.565 3.975 19.308 1.00 2.25 C -ATOM 827 OE1 GLU A 51 0.939 5.004 19.498 1.00 2.89 O -ATOM 828 OE2 GLU A 51 1.616 3.051 20.103 1.00 2.52 O -ATOM 829 H GLU A 51 1.595 6.422 17.362 1.00 1.39 H -ATOM 830 HA GLU A 51 2.847 4.664 15.467 1.00 1.17 H -ATOM 831 HB2 GLU A 51 0.383 4.236 17.185 1.00 1.78 H -ATOM 832 HB3 GLU A 51 1.270 2.963 16.345 1.00 1.39 H -ATOM 833 HG2 GLU A 51 2.831 2.876 17.966 1.00 2.21 H -ATOM 834 HG3 GLU A 51 3.063 4.624 17.917 1.00 2.64 H -ATOM 835 N ILE A 52 -0.374 5.068 14.874 1.00 1.07 N -ATOM 836 CA ILE A 52 -1.367 5.112 13.766 1.00 0.98 C -ATOM 837 C ILE A 52 -0.853 6.001 12.631 1.00 0.89 C -ATOM 838 O ILE A 52 -0.984 5.675 11.467 1.00 0.82 O -ATOM 839 CB ILE A 52 -2.692 5.662 14.302 1.00 1.09 C -ATOM 840 CG1 ILE A 52 -3.814 5.264 13.351 1.00 1.29 C -ATOM 841 CG2 ILE A 52 -2.627 7.189 14.409 1.00 1.27 C -ATOM 842 CD1 ILE A 52 -4.804 4.363 14.087 1.00 2.11 C -ATOM 843 H ILE A 52 -0.685 5.079 15.801 1.00 1.17 H -ATOM 844 HA ILE A 52 -1.525 4.111 13.392 1.00 0.94 H -ATOM 845 HB ILE A 52 -2.887 5.244 15.279 1.00 1.22 H -ATOM 846 HG12 ILE A 52 -4.320 6.151 13.000 1.00 1.49 H -ATOM 847 HG13 ILE A 52 -3.396 4.729 12.512 1.00 1.36 H -ATOM 848 HG21 ILE A 52 -1.726 7.475 14.929 1.00 1.79 H -ATOM 849 HG22 ILE A 52 -2.623 7.619 13.418 1.00 1.73 H -ATOM 850 HG23 ILE A 52 -3.487 7.549 14.953 1.00 1.50 H -ATOM 851 HD11 ILE A 52 -4.282 3.807 14.852 1.00 2.58 H -ATOM 852 HD12 ILE A 52 -5.573 4.969 14.544 1.00 2.56 H -ATOM 853 HD13 ILE A 52 -5.256 3.675 13.387 1.00 2.50 H -ATOM 854 N THR A 53 -0.268 7.118 12.958 1.00 0.92 N -ATOM 855 CA THR A 53 0.256 8.023 11.896 1.00 0.87 C -ATOM 856 C THR A 53 1.333 7.292 11.090 1.00 0.77 C -ATOM 857 O THR A 53 1.343 7.327 9.874 1.00 0.69 O -ATOM 858 CB THR A 53 0.847 9.286 12.533 1.00 0.99 C -ATOM 859 OG1 THR A 53 1.523 8.946 13.737 1.00 1.57 O -ATOM 860 CG2 THR A 53 -0.276 10.276 12.839 1.00 1.43 C -ATOM 861 H THR A 53 -0.170 7.363 13.901 1.00 1.01 H -ATOM 862 HA THR A 53 -0.554 8.302 11.237 1.00 0.85 H -ATOM 863 HB THR A 53 1.544 9.741 11.847 1.00 1.38 H -ATOM 864 HG1 THR A 53 1.591 7.992 13.783 1.00 1.99 H -ATOM 865 HG21 THR A 53 -1.138 10.041 12.234 1.00 1.95 H -ATOM 866 HG22 THR A 53 -0.541 10.209 13.884 1.00 1.96 H -ATOM 867 HG23 THR A 53 0.057 11.279 12.617 1.00 1.85 H -ATOM 868 N LEU A 54 2.250 6.639 11.749 1.00 0.81 N -ATOM 869 CA LEU A 54 3.319 5.923 10.997 1.00 0.74 C -ATOM 870 C LEU A 54 2.749 4.655 10.362 1.00 0.62 C -ATOM 871 O LEU A 54 2.981 4.385 9.202 1.00 0.52 O -ATOM 872 CB LEU A 54 4.460 5.541 11.947 1.00 0.87 C -ATOM 873 CG LEU A 54 5.801 5.645 11.214 1.00 1.11 C -ATOM 874 CD1 LEU A 54 6.877 4.911 12.016 1.00 1.02 C -ATOM 875 CD2 LEU A 54 5.685 5.009 9.825 1.00 1.63 C -ATOM 876 H LEU A 54 2.238 6.624 12.730 1.00 0.89 H -ATOM 877 HA LEU A 54 3.702 6.566 10.218 1.00 0.73 H -ATOM 878 HB2 LEU A 54 4.463 6.210 12.795 1.00 1.12 H -ATOM 879 HB3 LEU A 54 4.318 4.527 12.290 1.00 1.06 H -ATOM 880 HG LEU A 54 6.075 6.685 11.114 1.00 1.49 H -ATOM 881 HD11 LEU A 54 6.444 4.521 12.925 1.00 1.17 H -ATOM 882 HD12 LEU A 54 7.271 4.095 11.428 1.00 1.50 H -ATOM 883 HD13 LEU A 54 7.674 5.596 12.261 1.00 1.52 H -ATOM 884 HD21 LEU A 54 5.233 4.032 9.913 1.00 2.19 H -ATOM 885 HD22 LEU A 54 5.072 5.635 9.194 1.00 1.88 H -ATOM 886 HD23 LEU A 54 6.669 4.913 9.391 1.00 2.07 H -ATOM 887 N ILE A 55 2.014 3.863 11.097 1.00 0.66 N -ATOM 888 CA ILE A 55 1.463 2.621 10.485 1.00 0.59 C -ATOM 889 C ILE A 55 0.616 2.986 9.264 1.00 0.48 C -ATOM 890 O ILE A 55 0.783 2.429 8.196 1.00 0.39 O -ATOM 891 CB ILE A 55 0.593 1.885 11.506 1.00 0.70 C -ATOM 892 CG1 ILE A 55 1.424 1.569 12.752 1.00 0.89 C -ATOM 893 CG2 ILE A 55 0.078 0.582 10.891 1.00 0.73 C -ATOM 894 CD1 ILE A 55 0.493 1.180 13.901 1.00 1.02 C -ATOM 895 H ILE A 55 1.832 4.078 12.036 1.00 0.76 H -ATOM 896 HA ILE A 55 2.277 1.981 10.179 1.00 0.57 H -ATOM 897 HB ILE A 55 -0.246 2.508 11.781 1.00 0.70 H -ATOM 898 HG12 ILE A 55 2.095 0.750 12.537 1.00 0.95 H -ATOM 899 HG13 ILE A 55 1.996 2.440 13.033 1.00 0.95 H -ATOM 900 HG21 ILE A 55 -0.424 0.799 9.960 1.00 1.16 H -ATOM 901 HG22 ILE A 55 0.910 -0.081 10.706 1.00 1.26 H -ATOM 902 HG23 ILE A 55 -0.614 0.112 11.573 1.00 1.34 H -ATOM 903 HD11 ILE A 55 -0.496 0.980 13.512 1.00 1.45 H -ATOM 904 HD12 ILE A 55 0.873 0.294 14.389 1.00 1.40 H -ATOM 905 HD13 ILE A 55 0.441 1.990 14.614 1.00 1.51 H -ATOM 906 N ILE A 56 -0.272 3.938 9.397 1.00 0.51 N -ATOM 907 CA ILE A 56 -1.092 4.344 8.222 1.00 0.45 C -ATOM 908 C ILE A 56 -0.154 4.797 7.104 1.00 0.35 C -ATOM 909 O ILE A 56 -0.285 4.401 5.961 1.00 0.30 O -ATOM 910 CB ILE A 56 -2.051 5.475 8.611 1.00 0.52 C -ATOM 911 CG1 ILE A 56 -3.076 5.680 7.493 1.00 1.19 C -ATOM 912 CG2 ILE A 56 -1.276 6.773 8.831 1.00 1.41 C -ATOM 913 CD1 ILE A 56 -4.484 5.462 8.048 1.00 1.86 C -ATOM 914 H ILE A 56 -0.382 4.394 10.258 1.00 0.59 H -ATOM 915 HA ILE A 56 -1.664 3.493 7.879 1.00 0.46 H -ATOM 916 HB ILE A 56 -2.563 5.209 9.522 1.00 1.05 H -ATOM 917 HG12 ILE A 56 -2.991 6.685 7.106 1.00 1.77 H -ATOM 918 HG13 ILE A 56 -2.890 4.970 6.700 1.00 1.90 H -ATOM 919 HG21 ILE A 56 -0.760 7.045 7.924 1.00 1.89 H -ATOM 920 HG22 ILE A 56 -1.964 7.560 9.103 1.00 1.87 H -ATOM 921 HG23 ILE A 56 -0.563 6.630 9.626 1.00 2.07 H -ATOM 922 HD11 ILE A 56 -4.422 4.972 9.008 1.00 2.48 H -ATOM 923 HD12 ILE A 56 -4.978 6.416 8.162 1.00 2.31 H -ATOM 924 HD13 ILE A 56 -5.049 4.845 7.365 1.00 2.21 H -ATOM 925 N PHE A 57 0.802 5.624 7.438 1.00 0.37 N -ATOM 926 CA PHE A 57 1.770 6.113 6.413 1.00 0.34 C -ATOM 927 C PHE A 57 2.465 4.923 5.758 1.00 0.29 C -ATOM 928 O PHE A 57 2.591 4.852 4.552 1.00 0.27 O -ATOM 929 CB PHE A 57 2.821 7.018 7.066 1.00 0.44 C -ATOM 930 CG PHE A 57 2.475 8.464 6.792 1.00 1.05 C -ATOM 931 CD1 PHE A 57 1.389 9.059 7.443 1.00 1.80 C -ATOM 932 CD2 PHE A 57 3.242 9.206 5.885 1.00 1.97 C -ATOM 933 CE1 PHE A 57 1.068 10.398 7.188 1.00 2.57 C -ATOM 934 CE2 PHE A 57 2.920 10.546 5.631 1.00 2.71 C -ATOM 935 CZ PHE A 57 1.834 11.141 6.282 1.00 2.81 C -ATOM 936 H PHE A 57 0.880 5.921 8.370 1.00 0.43 H -ATOM 937 HA PHE A 57 1.235 6.674 5.659 1.00 0.34 H -ATOM 938 HB2 PHE A 57 2.840 6.848 8.133 1.00 0.94 H -ATOM 939 HB3 PHE A 57 3.792 6.799 6.650 1.00 0.81 H -ATOM 940 HD1 PHE A 57 0.797 8.485 8.142 1.00 2.26 H -ATOM 941 HD2 PHE A 57 4.080 8.747 5.384 1.00 2.49 H -ATOM 942 HE1 PHE A 57 0.229 10.857 7.691 1.00 3.32 H -ATOM 943 HE2 PHE A 57 3.512 11.118 4.931 1.00 3.52 H -ATOM 944 HZ PHE A 57 1.586 12.173 6.085 1.00 3.51 H -ATOM 945 N GLY A 58 2.926 3.987 6.541 1.00 0.30 N -ATOM 946 CA GLY A 58 3.621 2.807 5.957 1.00 0.28 C -ATOM 947 C GLY A 58 2.695 2.119 4.956 1.00 0.22 C -ATOM 948 O GLY A 58 3.091 1.801 3.854 1.00 0.23 O -ATOM 949 H GLY A 58 2.823 4.065 7.514 1.00 0.34 H -ATOM 950 HA2 GLY A 58 4.522 3.132 5.453 1.00 0.31 H -ATOM 951 HA3 GLY A 58 3.879 2.113 6.743 1.00 0.31 H -ATOM 952 N VAL A 59 1.460 1.893 5.318 1.00 0.22 N -ATOM 953 CA VAL A 59 0.530 1.234 4.359 1.00 0.23 C -ATOM 954 C VAL A 59 0.476 2.069 3.078 1.00 0.22 C -ATOM 955 O VAL A 59 0.616 1.557 1.982 1.00 0.23 O -ATOM 956 CB VAL A 59 -0.861 1.146 4.986 1.00 0.27 C -ATOM 957 CG1 VAL A 59 -1.835 0.522 3.985 1.00 0.33 C -ATOM 958 CG2 VAL A 59 -0.791 0.275 6.244 1.00 0.30 C -ATOM 959 H VAL A 59 1.148 2.159 6.208 1.00 0.24 H -ATOM 960 HA VAL A 59 0.885 0.243 4.129 1.00 0.25 H -ATOM 961 HB VAL A 59 -1.201 2.138 5.249 1.00 0.30 H -ATOM 962 HG11 VAL A 59 -1.462 0.668 2.982 1.00 0.98 H -ATOM 963 HG12 VAL A 59 -1.927 -0.536 4.185 1.00 1.10 H -ATOM 964 HG13 VAL A 59 -2.802 0.994 4.083 1.00 1.05 H -ATOM 965 HG21 VAL A 59 0.219 0.277 6.628 1.00 0.93 H -ATOM 966 HG22 VAL A 59 -1.462 0.669 6.993 1.00 1.14 H -ATOM 967 HG23 VAL A 59 -1.080 -0.737 5.998 1.00 1.08 H -ATOM 968 N MET A 60 0.305 3.357 3.208 1.00 0.22 N -ATOM 969 CA MET A 60 0.280 4.228 2.000 1.00 0.23 C -ATOM 970 C MET A 60 1.593 4.045 1.238 1.00 0.24 C -ATOM 971 O MET A 60 1.615 3.860 0.036 1.00 0.25 O -ATOM 972 CB MET A 60 0.132 5.690 2.428 1.00 0.26 C -ATOM 973 CG MET A 60 -1.175 5.866 3.203 1.00 0.32 C -ATOM 974 SD MET A 60 -1.605 7.623 3.273 1.00 1.15 S -ATOM 975 CE MET A 60 -0.141 8.182 4.180 1.00 1.83 C -ATOM 976 H MET A 60 0.218 3.753 4.101 1.00 0.22 H -ATOM 977 HA MET A 60 -0.550 3.948 1.367 1.00 0.25 H -ATOM 978 HB2 MET A 60 0.966 5.966 3.057 1.00 0.29 H -ATOM 979 HB3 MET A 60 0.117 6.322 1.552 1.00 0.30 H -ATOM 980 HG2 MET A 60 -1.965 5.323 2.705 1.00 0.69 H -ATOM 981 HG3 MET A 60 -1.053 5.485 4.205 1.00 0.71 H -ATOM 982 HE1 MET A 60 0.745 7.763 3.725 1.00 2.42 H -ATOM 983 HE2 MET A 60 -0.085 9.257 4.147 1.00 2.17 H -ATOM 984 HE3 MET A 60 -0.211 7.857 5.210 1.00 2.39 H -ATOM 985 N ALA A 61 2.689 4.093 1.946 1.00 0.25 N -ATOM 986 CA ALA A 61 4.020 3.922 1.300 1.00 0.27 C -ATOM 987 C ALA A 61 4.071 2.579 0.564 1.00 0.26 C -ATOM 988 O ALA A 61 4.520 2.504 -0.563 1.00 0.27 O -ATOM 989 CB ALA A 61 5.132 3.997 2.357 1.00 0.31 C -ATOM 990 H ALA A 61 2.636 4.239 2.912 1.00 0.25 H -ATOM 991 HA ALA A 61 4.164 4.718 0.583 1.00 0.29 H -ATOM 992 HB1 ALA A 61 4.700 3.938 3.346 1.00 1.02 H -ATOM 993 HB2 ALA A 61 5.827 3.183 2.216 1.00 1.10 H -ATOM 994 HB3 ALA A 61 5.657 4.936 2.255 1.00 1.06 H -ATOM 995 N GLY A 62 3.630 1.511 1.183 1.00 0.25 N -ATOM 996 CA GLY A 62 3.682 0.194 0.492 1.00 0.26 C -ATOM 997 C GLY A 62 2.921 0.286 -0.828 1.00 0.24 C -ATOM 998 O GLY A 62 3.406 -0.133 -1.860 1.00 0.24 O -ATOM 999 H GLY A 62 3.271 1.573 2.091 1.00 0.25 H -ATOM 1000 HA2 GLY A 62 4.713 -0.072 0.300 1.00 0.29 H -ATOM 1001 HA3 GLY A 62 3.225 -0.559 1.116 1.00 0.27 H -ATOM 1002 N VAL A 63 1.738 0.838 -0.817 1.00 0.22 N -ATOM 1003 CA VAL A 63 0.980 0.953 -2.095 1.00 0.21 C -ATOM 1004 C VAL A 63 1.825 1.734 -3.108 1.00 0.21 C -ATOM 1005 O VAL A 63 1.984 1.329 -4.243 1.00 0.21 O -ATOM 1006 CB VAL A 63 -0.337 1.692 -1.851 1.00 0.23 C -ATOM 1007 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 0.28 C -ATOM 1008 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 0.31 C -ATOM 1009 H VAL A 63 1.355 1.179 0.022 1.00 0.22 H -ATOM 1010 HA VAL A 63 0.774 -0.035 -2.481 1.00 0.22 H -ATOM 1011 HB VAL A 63 -0.128 2.685 -1.480 1.00 0.28 H -ATOM 1012 HG11 VAL A 63 -0.468 2.167 -3.940 1.00 0.98 H -ATOM 1013 HG12 VAL A 63 -1.483 0.814 -3.439 1.00 1.07 H -ATOM 1014 HG13 VAL A 63 -1.952 2.465 -3.034 1.00 1.13 H -ATOM 1015 HG21 VAL A 63 -1.152 -0.129 -1.058 1.00 0.96 H -ATOM 1016 HG22 VAL A 63 -0.755 1.080 0.164 1.00 1.07 H -ATOM 1017 HG23 VAL A 63 -2.188 1.281 -0.844 1.00 1.14 H -ATOM 1018 N ILE A 64 2.377 2.848 -2.700 1.00 0.23 N -ATOM 1019 CA ILE A 64 3.220 3.652 -3.630 1.00 0.25 C -ATOM 1020 C ILE A 64 4.373 2.794 -4.161 1.00 0.26 C -ATOM 1021 O ILE A 64 4.652 2.776 -5.343 1.00 0.26 O -ATOM 1022 CB ILE A 64 3.785 4.863 -2.886 1.00 0.30 C -ATOM 1023 CG1 ILE A 64 2.645 5.822 -2.537 1.00 0.32 C -ATOM 1024 CG2 ILE A 64 4.800 5.581 -3.777 1.00 0.40 C -ATOM 1025 CD1 ILE A 64 3.053 6.690 -1.345 1.00 1.06 C -ATOM 1026 H ILE A 64 2.238 3.156 -1.779 1.00 0.24 H -ATOM 1027 HA ILE A 64 2.615 3.992 -4.458 1.00 0.26 H -ATOM 1028 HB ILE A 64 4.272 4.533 -1.979 1.00 0.33 H -ATOM 1029 HG12 ILE A 64 2.434 6.454 -3.388 1.00 0.77 H -ATOM 1030 HG13 ILE A 64 1.763 5.255 -2.281 1.00 0.79 H -ATOM 1031 HG21 ILE A 64 4.393 5.692 -4.771 1.00 1.11 H -ATOM 1032 HG22 ILE A 64 5.014 6.556 -3.366 1.00 1.08 H -ATOM 1033 HG23 ILE A 64 5.712 5.003 -3.824 1.00 1.05 H -ATOM 1034 HD11 ILE A 64 3.602 6.090 -0.634 1.00 1.59 H -ATOM 1035 HD12 ILE A 64 3.677 7.503 -1.688 1.00 1.60 H -ATOM 1036 HD13 ILE A 64 2.169 7.090 -0.873 1.00 1.66 H -ATOM 1037 N GLY A 65 5.053 2.091 -3.294 1.00 0.27 N -ATOM 1038 CA GLY A 65 6.193 1.245 -3.750 1.00 0.30 C -ATOM 1039 C GLY A 65 5.711 0.257 -4.810 1.00 0.27 C -ATOM 1040 O GLY A 65 6.327 0.097 -5.845 1.00 0.29 O -ATOM 1041 H GLY A 65 4.820 2.123 -2.344 1.00 0.28 H -ATOM 1042 HA2 GLY A 65 6.963 1.877 -4.168 1.00 0.33 H -ATOM 1043 HA3 GLY A 65 6.593 0.699 -2.909 1.00 0.33 H -ATOM 1044 N THR A 66 4.615 -0.409 -4.567 1.00 0.24 N -ATOM 1045 CA THR A 66 4.107 -1.382 -5.573 1.00 0.24 C -ATOM 1046 C THR A 66 3.892 -0.660 -6.903 1.00 0.24 C -ATOM 1047 O THR A 66 4.305 -1.126 -7.947 1.00 0.28 O -ATOM 1048 CB THR A 66 2.780 -1.974 -5.091 1.00 0.25 C -ATOM 1049 OG1 THR A 66 2.935 -2.460 -3.763 1.00 0.32 O -ATOM 1050 CG2 THR A 66 2.371 -3.123 -6.014 1.00 0.28 C -ATOM 1051 H THR A 66 4.129 -0.268 -3.727 1.00 0.24 H -ATOM 1052 HA THR A 66 4.829 -2.174 -5.705 1.00 0.28 H -ATOM 1053 HB THR A 66 2.017 -1.213 -5.109 1.00 0.25 H -ATOM 1054 HG1 THR A 66 3.028 -1.704 -3.179 1.00 0.39 H -ATOM 1055 HG21 THR A 66 2.425 -2.795 -7.042 1.00 1.00 H -ATOM 1056 HG22 THR A 66 3.041 -3.958 -5.868 1.00 1.09 H -ATOM 1057 HG23 THR A 66 1.361 -3.428 -5.786 1.00 0.99 H -ATOM 1058 N ILE A 67 3.256 0.481 -6.875 1.00 0.23 N -ATOM 1059 CA ILE A 67 3.029 1.232 -8.141 1.00 0.29 C -ATOM 1060 C ILE A 67 4.377 1.506 -8.812 1.00 0.33 C -ATOM 1061 O ILE A 67 4.550 1.292 -9.996 1.00 0.40 O -ATOM 1062 CB ILE A 67 2.331 2.558 -7.830 1.00 0.33 C -ATOM 1063 CG1 ILE A 67 0.878 2.287 -7.431 1.00 0.34 C -ATOM 1064 CG2 ILE A 67 2.359 3.454 -9.069 1.00 0.40 C -ATOM 1065 CD1 ILE A 67 0.281 3.542 -6.791 1.00 0.41 C -ATOM 1066 H ILE A 67 2.936 0.844 -6.022 1.00 0.21 H -ATOM 1067 HA ILE A 67 2.409 0.645 -8.802 1.00 0.32 H -ATOM 1068 HB ILE A 67 2.843 3.053 -7.017 1.00 0.34 H -ATOM 1069 HG12 ILE A 67 0.308 2.024 -8.309 1.00 0.40 H -ATOM 1070 HG13 ILE A 67 0.845 1.473 -6.723 1.00 0.34 H -ATOM 1071 HG21 ILE A 67 2.751 2.897 -9.907 1.00 1.10 H -ATOM 1072 HG22 ILE A 67 1.356 3.785 -9.296 1.00 0.98 H -ATOM 1073 HG23 ILE A 67 2.987 4.311 -8.880 1.00 1.06 H -ATOM 1074 HD11 ILE A 67 0.898 3.850 -5.960 1.00 1.07 H -ATOM 1075 HD12 ILE A 67 0.239 4.334 -7.522 1.00 1.11 H -ATOM 1076 HD13 ILE A 67 -0.716 3.324 -6.437 1.00 1.14 H -ATOM 1077 N LEU A 68 5.335 1.973 -8.058 1.00 0.33 N -ATOM 1078 CA LEU A 68 6.676 2.257 -8.638 1.00 0.41 C -ATOM 1079 C LEU A 68 7.222 0.975 -9.283 1.00 0.44 C -ATOM 1080 O LEU A 68 7.717 0.988 -10.392 1.00 0.51 O -ATOM 1081 CB LEU A 68 7.606 2.778 -7.519 1.00 0.44 C -ATOM 1082 CG LEU A 68 8.904 1.964 -7.431 1.00 0.76 C -ATOM 1083 CD1 LEU A 68 9.801 2.296 -8.625 1.00 1.14 C -ATOM 1084 CD2 LEU A 68 9.635 2.314 -6.133 1.00 1.06 C -ATOM 1085 H LEU A 68 5.175 2.132 -7.105 1.00 0.30 H -ATOM 1086 HA LEU A 68 6.576 3.017 -9.400 1.00 0.46 H -ATOM 1087 HB2 LEU A 68 7.854 3.810 -7.718 1.00 0.70 H -ATOM 1088 HB3 LEU A 68 7.087 2.718 -6.572 1.00 0.61 H -ATOM 1089 HG LEU A 68 8.667 0.911 -7.439 1.00 0.84 H -ATOM 1090 HD11 LEU A 68 9.770 3.358 -8.814 1.00 1.55 H -ATOM 1091 HD12 LEU A 68 10.816 2.000 -8.406 1.00 1.54 H -ATOM 1092 HD13 LEU A 68 9.451 1.764 -9.497 1.00 1.72 H -ATOM 1093 HD21 LEU A 68 9.102 3.101 -5.619 1.00 1.51 H -ATOM 1094 HD22 LEU A 68 9.685 1.440 -5.500 1.00 1.52 H -ATOM 1095 HD23 LEU A 68 10.636 2.649 -6.363 1.00 1.60 H -ATOM 1096 N LEU A 69 7.140 -0.130 -8.592 1.00 0.40 N -ATOM 1097 CA LEU A 69 7.658 -1.407 -9.164 1.00 0.47 C -ATOM 1098 C LEU A 69 6.966 -1.686 -10.500 1.00 0.51 C -ATOM 1099 O LEU A 69 7.604 -2.009 -11.482 1.00 0.60 O -ATOM 1100 CB LEU A 69 7.375 -2.557 -8.193 1.00 0.47 C -ATOM 1101 CG LEU A 69 8.116 -3.813 -8.658 1.00 1.14 C -ATOM 1102 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 2.02 C -ATOM 1103 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 1.67 C -ATOM 1104 H LEU A 69 6.737 -0.118 -7.696 1.00 0.36 H -ATOM 1105 HA LEU A 69 8.725 -1.324 -9.325 1.00 0.54 H -ATOM 1106 HB2 LEU A 69 7.714 -2.284 -7.204 1.00 0.81 H -ATOM 1107 HB3 LEU A 69 6.314 -2.755 -8.168 1.00 0.89 H -ATOM 1108 HG LEU A 69 7.742 -4.112 -9.627 1.00 1.90 H -ATOM 1109 HD11 LEU A 69 9.892 -2.804 -7.997 1.00 2.49 H -ATOM 1110 HD12 LEU A 69 10.170 -4.432 -8.615 1.00 2.41 H -ATOM 1111 HD13 LEU A 69 9.836 -3.111 -9.733 1.00 2.62 H -ATOM 1112 HD21 LEU A 69 7.158 -4.628 -6.916 1.00 2.08 H -ATOM 1113 HD22 LEU A 69 7.526 -5.818 -8.167 1.00 2.26 H -ATOM 1114 HD23 LEU A 69 8.819 -5.175 -7.155 1.00 2.09 H -ATOM 1115 N ILE A 70 5.669 -1.563 -10.550 1.00 0.47 N -ATOM 1116 CA ILE A 70 4.949 -1.820 -11.829 1.00 0.57 C -ATOM 1117 C ILE A 70 5.506 -0.908 -12.918 1.00 0.65 C -ATOM 1118 O ILE A 70 5.807 -1.348 -14.009 1.00 0.77 O -ATOM 1119 CB ILE A 70 3.457 -1.543 -11.641 1.00 0.55 C -ATOM 1120 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 0.51 C -ATOM 1121 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 0.66 C -ATOM 1122 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 0.54 C -ATOM 1123 H ILE A 70 5.168 -1.298 -9.748 1.00 0.40 H -ATOM 1124 HA ILE A 70 5.091 -2.850 -12.123 1.00 0.62 H -ATOM 1125 HB ILE A 70 3.322 -0.529 -11.290 1.00 0.53 H -ATOM 1126 HG12 ILE A 70 2.791 -3.500 -11.063 1.00 0.59 H -ATOM 1127 HG13 ILE A 70 3.542 -2.576 -9.761 1.00 0.48 H -ATOM 1128 HG21 ILE A 70 3.348 -2.305 -13.643 1.00 1.39 H -ATOM 1129 HG22 ILE A 70 1.795 -2.234 -12.810 1.00 1.07 H -ATOM 1130 HG23 ILE A 70 2.541 -0.755 -13.413 1.00 1.17 H -ATOM 1131 HD11 ILE A 70 1.473 -0.956 -10.207 1.00 1.13 H -ATOM 1132 HD12 ILE A 70 0.747 -2.446 -10.807 1.00 1.23 H -ATOM 1133 HD13 ILE A 70 1.327 -2.356 -9.143 1.00 1.10 H -ATOM 1134 N SER A 71 5.656 0.357 -12.637 1.00 0.63 N -ATOM 1135 CA SER A 71 6.208 1.267 -13.675 1.00 0.76 C -ATOM 1136 C SER A 71 7.569 0.733 -14.108 1.00 0.83 C -ATOM 1137 O SER A 71 7.858 0.612 -15.282 1.00 0.95 O -ATOM 1138 CB SER A 71 6.367 2.674 -13.096 1.00 0.74 C -ATOM 1139 OG SER A 71 5.650 2.763 -11.872 1.00 1.53 O -ATOM 1140 H SER A 71 5.416 0.701 -11.751 1.00 0.55 H -ATOM 1141 HA SER A 71 5.541 1.295 -14.525 1.00 0.83 H -ATOM 1142 HB2 SER A 71 7.410 2.872 -12.912 1.00 1.04 H -ATOM 1143 HB3 SER A 71 5.984 3.398 -13.804 1.00 1.03 H -ATOM 1144 HG SER A 71 6.131 3.354 -11.290 1.00 1.76 H -ATOM 1145 N TYR A 72 8.404 0.395 -13.164 1.00 0.77 N -ATOM 1146 CA TYR A 72 9.740 -0.152 -13.517 1.00 0.87 C -ATOM 1147 C TYR A 72 9.564 -1.398 -14.390 1.00 0.94 C -ATOM 1148 O TYR A 72 10.198 -1.543 -15.415 1.00 1.07 O -ATOM 1149 CB TYR A 72 10.492 -0.525 -12.239 1.00 0.83 C -ATOM 1150 CG TYR A 72 11.736 0.323 -12.119 1.00 1.09 C -ATOM 1151 CD1 TYR A 72 11.626 1.696 -11.868 1.00 1.68 C -ATOM 1152 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 1.74 C -ATOM 1153 CE1 TYR A 72 12.780 2.482 -11.757 1.00 2.03 C -ATOM 1154 CE2 TYR A 72 14.152 0.521 -12.148 1.00 1.99 C -ATOM 1155 CZ TYR A 72 14.043 1.894 -11.896 1.00 1.84 C -ATOM 1156 OH TYR A 72 15.182 2.668 -11.786 1.00 2.25 O -ATOM 1157 H TYR A 72 8.145 0.492 -12.222 1.00 0.68 H -ATOM 1158 HA TYR A 72 10.302 0.594 -14.062 1.00 0.96 H -ATOM 1159 HB2 TYR A 72 9.854 -0.352 -11.384 1.00 0.85 H -ATOM 1160 HB3 TYR A 72 10.770 -1.567 -12.276 1.00 0.87 H -ATOM 1161 HD1 TYR A 72 10.652 2.150 -11.760 1.00 2.29 H -ATOM 1162 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 2.42 H -ATOM 1163 HE1 TYR A 72 12.696 3.541 -11.563 1.00 2.78 H -ATOM 1164 HE2 TYR A 72 15.127 0.067 -12.256 1.00 2.69 H -ATOM 1165 HH TYR A 72 15.556 2.523 -10.914 1.00 2.43 H -ATOM 1166 N GLY A 73 8.699 -2.298 -13.994 1.00 0.88 N -ATOM 1167 CA GLY A 73 8.481 -3.528 -14.806 1.00 0.98 C -ATOM 1168 C GLY A 73 8.060 -3.130 -16.219 1.00 1.10 C -ATOM 1169 O GLY A 73 8.584 -3.624 -17.197 1.00 1.24 O -ATOM 1170 H GLY A 73 8.193 -2.164 -13.166 1.00 0.78 H -ATOM 1171 HA2 GLY A 73 9.397 -4.099 -14.848 1.00 1.05 H -ATOM 1172 HA3 GLY A 73 7.703 -4.125 -14.357 1.00 0.93 H -ATOM 1173 N ILE A 74 7.121 -2.230 -16.334 1.00 1.07 N -ATOM 1174 CA ILE A 74 6.678 -1.795 -17.690 1.00 1.22 C -ATOM 1175 C ILE A 74 7.891 -1.262 -18.459 1.00 1.34 C -ATOM 1176 O ILE A 74 8.114 -1.609 -19.600 1.00 1.50 O -ATOM 1177 CB ILE A 74 5.607 -0.702 -17.560 1.00 1.20 C -ATOM 1178 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 1.37 C -ATOM 1179 CG2 ILE A 74 5.525 0.112 -18.855 1.00 1.50 C -ATOM 1180 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 1.81 C -ATOM 1181 H ILE A 74 6.712 -1.840 -15.529 1.00 0.95 H -ATOM 1182 HA ILE A 74 6.264 -2.643 -18.218 1.00 1.29 H -ATOM 1183 HB ILE A 74 5.858 -0.045 -16.740 1.00 1.42 H -ATOM 1184 HG12 ILE A 74 3.476 -0.808 -17.814 1.00 1.68 H -ATOM 1185 HG13 ILE A 74 4.266 -2.376 -17.649 1.00 1.85 H -ATOM 1186 HG21 ILE A 74 5.698 -0.538 -19.700 1.00 1.93 H -ATOM 1187 HG22 ILE A 74 4.544 0.557 -18.940 1.00 1.99 H -ATOM 1188 HG23 ILE A 74 6.273 0.890 -18.840 1.00 1.84 H -ATOM 1189 HD11 ILE A 74 4.355 -0.444 -15.355 1.00 2.15 H -ATOM 1190 HD12 ILE A 74 2.890 -1.386 -15.633 1.00 2.28 H -ATOM 1191 HD13 ILE A 74 4.421 -2.206 -15.332 1.00 2.29 H -ATOM 1192 N ARG A 75 8.676 -0.423 -17.840 1.00 1.29 N -ATOM 1193 CA ARG A 75 9.878 0.131 -18.532 1.00 1.42 C -ATOM 1194 C ARG A 75 10.776 -1.015 -18.998 1.00 1.52 C -ATOM 1195 O ARG A 75 11.228 -1.035 -20.125 1.00 1.68 O -ATOM 1196 CB ARG A 75 10.658 1.040 -17.578 1.00 1.36 C -ATOM 1197 CG ARG A 75 11.623 1.914 -18.382 1.00 1.61 C -ATOM 1198 CD ARG A 75 13.054 1.412 -18.184 1.00 1.77 C -ATOM 1199 NE ARG A 75 13.332 1.263 -16.727 1.00 1.70 N -ATOM 1200 CZ ARG A 75 14.366 0.573 -16.328 1.00 2.10 C -ATOM 1201 NH1 ARG A 75 15.557 0.864 -16.776 1.00 2.69 N -ATOM 1202 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 2.54 N -ATOM 1203 H ARG A 75 8.476 -0.160 -16.917 1.00 1.17 H -ATOM 1204 HA ARG A 75 9.559 0.701 -19.396 1.00 1.53 H -ATOM 1205 HB2 ARG A 75 9.968 1.671 -17.035 1.00 1.77 H -ATOM 1206 HB3 ARG A 75 11.219 0.435 -16.881 1.00 1.52 H -ATOM 1207 HG2 ARG A 75 11.365 1.864 -19.430 1.00 2.02 H -ATOM 1208 HG3 ARG A 75 11.551 2.936 -18.041 1.00 2.12 H -ATOM 1209 HD2 ARG A 75 13.172 0.457 -18.673 1.00 2.20 H -ATOM 1210 HD3 ARG A 75 13.748 2.123 -18.611 1.00 2.01 H -ATOM 1211 HE ARG A 75 12.738 1.680 -16.070 1.00 1.66 H -ATOM 1212 HH11 ARG A 75 15.677 1.614 -17.426 1.00 3.04 H -ATOM 1213 HH12 ARG A 75 16.349 0.335 -16.471 1.00 3.11 H -ATOM 1214 HH21 ARG A 75 13.297 -0.628 -15.136 1.00 2.81 H -ATOM 1215 HH22 ARG A 75 15.002 -0.934 -15.174 1.00 2.97 H -ATOM 1216 N ARG A 76 11.039 -1.973 -18.150 1.00 1.43 N -ATOM 1217 CA ARG A 76 11.906 -3.104 -18.580 1.00 1.55 C -ATOM 1218 C ARG A 76 11.275 -3.729 -19.819 1.00 1.67 C -ATOM 1219 O ARG A 76 11.926 -3.948 -20.820 1.00 1.83 O -ATOM 1220 CB ARG A 76 11.991 -4.145 -17.460 1.00 1.45 C -ATOM 1221 CG ARG A 76 13.012 -5.220 -17.838 1.00 1.62 C -ATOM 1222 CD ARG A 76 13.707 -5.731 -16.573 1.00 1.72 C -ATOM 1223 NE ARG A 76 14.771 -6.708 -16.944 1.00 2.17 N -ATOM 1224 CZ ARG A 76 14.588 -7.531 -17.942 1.00 2.50 C -ATOM 1225 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 2.89 N -ATOM 1226 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 3.17 N -ATOM 1227 H ARG A 76 10.666 -1.950 -17.243 1.00 1.30 H -ATOM 1228 HA ARG A 76 12.894 -2.738 -18.818 1.00 1.63 H -ATOM 1229 HB2 ARG A 76 12.299 -3.662 -16.543 1.00 1.45 H -ATOM 1230 HB3 ARG A 76 11.024 -4.602 -17.319 1.00 1.41 H -ATOM 1231 HG2 ARG A 76 12.506 -6.040 -18.328 1.00 1.82 H -ATOM 1232 HG3 ARG A 76 13.748 -4.800 -18.506 1.00 2.06 H -ATOM 1233 HD2 ARG A 76 14.152 -4.900 -16.048 1.00 2.19 H -ATOM 1234 HD3 ARG A 76 12.981 -6.214 -15.935 1.00 2.00 H -ATOM 1235 HE ARG A 76 15.611 -6.733 -16.438 1.00 2.74 H -ATOM 1236 HH11 ARG A 76 13.523 -8.841 -16.865 1.00 3.01 H -ATOM 1237 HH12 ARG A 76 13.765 -9.259 -18.529 1.00 3.47 H -ATOM 1238 HH21 ARG A 76 15.610 -6.413 -19.253 1.00 3.47 H -ATOM 1239 HH22 ARG A 76 14.946 -7.885 -19.880 1.00 3.71 H -ATOM 1240 N LEU A 77 9.997 -3.976 -19.771 1.00 1.62 N -ATOM 1241 CA LEU A 77 9.304 -4.538 -20.959 1.00 1.76 C -ATOM 1242 C LEU A 77 9.532 -3.582 -22.129 1.00 1.92 C -ATOM 1243 O LEU A 77 9.858 -3.993 -23.223 1.00 2.09 O -ATOM 1244 CB LEU A 77 7.806 -4.653 -20.673 1.00 1.69 C -ATOM 1245 CG LEU A 77 7.473 -6.083 -20.247 1.00 1.72 C -ATOM 1246 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 1.72 C -ATOM 1247 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 2.01 C -ATOM 1248 H LEU A 77 9.486 -3.761 -18.963 1.00 1.49 H -ATOM 1249 HA LEU A 77 9.710 -5.510 -21.195 1.00 1.83 H -ATOM 1250 HB2 LEU A 77 7.537 -3.969 -19.881 1.00 1.59 H -ATOM 1251 HB3 LEU A 77 7.249 -4.407 -21.565 1.00 1.80 H -ATOM 1252 HG LEU A 77 8.251 -6.454 -19.594 1.00 1.71 H -ATOM 1253 HD11 LEU A 77 5.630 -5.153 -19.660 1.00 1.99 H -ATOM 1254 HD12 LEU A 77 5.521 -6.900 -19.882 1.00 2.11 H -ATOM 1255 HD13 LEU A 77 6.311 -6.240 -18.449 1.00 1.93 H -ATOM 1256 HD21 LEU A 77 8.122 -6.669 -22.208 1.00 2.56 H -ATOM 1257 HD22 LEU A 77 7.546 -8.001 -21.207 1.00 2.23 H -ATOM 1258 HD23 LEU A 77 6.393 -6.876 -21.925 1.00 2.13 H -ATOM 1259 N ILE A 78 9.346 -2.306 -21.877 1.00 1.89 N -ATOM 1260 CA ILE A 78 9.524 -1.246 -22.916 1.00 2.07 C -ATOM 1261 C ILE A 78 8.176 -0.941 -23.564 1.00 2.17 C -ATOM 1262 O ILE A 78 7.685 -1.678 -24.395 1.00 2.50 O -ATOM 1263 CB ILE A 78 10.538 -1.679 -23.975 1.00 2.14 C -ATOM 1264 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 2.13 C -ATOM 1265 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 2.25 C -ATOM 1266 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 2.38 C -ATOM 1267 H ILE A 78 9.078 -2.040 -20.976 1.00 1.77 H -ATOM 1268 HA ILE A 78 9.885 -0.348 -22.433 1.00 2.26 H -ATOM 1269 HB ILE A 78 10.139 -2.498 -24.549 1.00 2.30 H -ATOM 1270 HG12 ILE A 78 12.595 -1.363 -23.453 1.00 2.27 H -ATOM 1271 HG13 ILE A 78 11.651 -2.190 -22.212 1.00 2.04 H -ATOM 1272 HG21 ILE A 78 10.468 0.412 -24.455 1.00 2.53 H -ATOM 1273 HG22 ILE A 78 11.895 -0.425 -25.067 1.00 2.38 H -ATOM 1274 HG23 ILE A 78 10.332 -0.656 -25.851 1.00 2.56 H -ATOM 1275 HD11 ILE A 78 11.693 -3.722 -24.683 1.00 2.64 H -ATOM 1276 HD12 ILE A 78 13.331 -3.392 -24.117 1.00 2.66 H -ATOM 1277 HD13 ILE A 78 12.181 -4.213 -23.061 1.00 2.72 H -ATOM 1278 N LYS A 79 7.572 0.147 -23.170 1.00 2.25 N -ATOM 1279 CA LYS A 79 6.247 0.522 -23.735 1.00 2.60 C -ATOM 1280 C LYS A 79 6.445 1.288 -25.045 1.00 2.97 C -ATOM 1281 O LYS A 79 7.143 2.281 -25.094 1.00 3.27 O -ATOM 1282 CB LYS A 79 5.505 1.407 -22.730 1.00 2.80 C -ATOM 1283 CG LYS A 79 3.998 1.172 -22.853 1.00 3.38 C -ATOM 1284 CD LYS A 79 3.248 2.201 -22.003 1.00 3.94 C -ATOM 1285 CE LYS A 79 2.282 2.990 -22.891 1.00 4.56 C -ATOM 1286 NZ LYS A 79 1.757 4.161 -22.134 1.00 5.22 N -ATOM 1287 H LYS A 79 7.993 0.717 -22.493 1.00 2.32 H -ATOM 1288 HA LYS A 79 5.669 -0.371 -23.923 1.00 2.72 H -ATOM 1289 HB2 LYS A 79 5.829 1.162 -21.726 1.00 2.65 H -ATOM 1290 HB3 LYS A 79 5.723 2.445 -22.934 1.00 3.01 H -ATOM 1291 HG2 LYS A 79 3.702 1.271 -23.886 1.00 3.67 H -ATOM 1292 HG3 LYS A 79 3.760 0.178 -22.503 1.00 3.67 H -ATOM 1293 HD2 LYS A 79 2.693 1.693 -21.228 1.00 4.28 H -ATOM 1294 HD3 LYS A 79 3.956 2.880 -21.553 1.00 4.08 H -ATOM 1295 HE2 LYS A 79 2.803 3.334 -23.771 1.00 4.79 H -ATOM 1296 HE3 LYS A 79 1.461 2.353 -23.183 1.00 4.75 H -ATOM 1297 HZ1 LYS A 79 2.549 4.760 -21.827 1.00 5.33 H -ATOM 1298 HZ2 LYS A 79 1.124 4.714 -22.746 1.00 5.57 H -ATOM 1299 HZ3 LYS A 79 1.230 3.827 -21.301 1.00 5.57 H -ATOM 1300 N LYS A 80 5.839 0.828 -26.107 1.00 3.27 N -ATOM 1301 CA LYS A 80 5.992 1.524 -27.419 1.00 3.83 C -ATOM 1302 C LYS A 80 7.450 1.434 -27.874 1.00 4.00 C -ATOM 1303 O LYS A 80 7.894 2.347 -28.552 1.00 4.36 O -ATOM 1304 CB LYS A 80 5.593 3.000 -27.279 1.00 4.43 C -ATOM 1305 CG LYS A 80 4.118 3.112 -26.883 1.00 5.03 C -ATOM 1306 CD LYS A 80 3.235 2.626 -28.036 1.00 5.77 C -ATOM 1307 CE LYS A 80 1.930 2.054 -27.477 1.00 6.68 C -ATOM 1308 NZ LYS A 80 1.045 3.172 -27.041 1.00 7.38 N -ATOM 1309 OXT LYS A 80 8.096 0.455 -27.539 1.00 4.28 O -ATOM 1310 H LYS A 80 5.287 0.019 -26.042 1.00 3.31 H -ATOM 1311 HA LYS A 80 5.359 1.049 -28.154 1.00 4.17 H -ATOM 1312 HB2 LYS A 80 6.206 3.467 -26.523 1.00 4.57 H -ATOM 1313 HB3 LYS A 80 5.747 3.502 -28.223 1.00 4.74 H -ATOM 1314 HG2 LYS A 80 3.930 2.510 -26.006 1.00 5.27 H -ATOM 1315 HG3 LYS A 80 3.882 4.143 -26.666 1.00 5.11 H -ATOM 1316 HD2 LYS A 80 3.014 3.455 -28.693 1.00 5.83 H -ATOM 1317 HD3 LYS A 80 3.754 1.858 -28.589 1.00 5.97 H -ATOM 1318 HE2 LYS A 80 1.432 1.480 -28.244 1.00 6.97 H -ATOM 1319 HE3 LYS A 80 2.149 1.417 -26.633 1.00 6.87 H -ATOM 1320 HZ1 LYS A 80 1.552 4.074 -27.134 1.00 7.46 H -ATOM 1321 HZ2 LYS A 80 0.192 3.188 -27.637 1.00 7.83 H -ATOM 1322 HZ3 LYS A 80 0.772 3.030 -26.048 1.00 7.60 H -TER 1323 LYS A 80 -END +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 18.74 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 18.11 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 17.30 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 17.26 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 18.42 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 18.58 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 18.59 C +ATOM 8 H1 VAL A 1 13.066 16.970 1.016 1.00 18.63 H +ATOM 9 H2 VAL A 1 12.320 16.071 -0.218 1.00 19.07 H +ATOM 10 H3 VAL A 1 11.499 17.370 0.499 1.00 19.08 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 18.15 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 18.56 H +ATOM 13 HG11 VAL A 1 14.041 15.107 1.752 1.00 18.56 H +ATOM 14 HG12 VAL A 1 14.050 13.354 1.557 1.00 18.83 H +ATOM 15 HG13 VAL A 1 13.820 14.397 0.153 1.00 18.58 H +ATOM 16 HG21 VAL A 1 10.757 13.506 2.932 1.00 18.63 H +ATOM 17 HG22 VAL A 1 11.938 12.323 2.372 1.00 18.86 H +ATOM 18 HG23 VAL A 1 12.436 13.621 3.457 1.00 18.54 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 16.78 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 16.11 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 15.69 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 15.68 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 16.10 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 15.49 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 15.09 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 15.39 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 14.56 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 16.93 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 16.10 H +ATOM 30 HB2 GLN A 2 12.118 19.447 4.404 1.00 16.14 H +ATOM 31 HB3 GLN A 2 10.444 19.246 4.920 1.00 16.63 H +ATOM 32 HG2 GLN A 2 11.997 20.559 6.499 1.00 15.60 H +ATOM 33 HG3 GLN A 2 11.035 19.270 7.221 1.00 15.40 H +ATOM 34 HE21 GLN A 2 12.192 17.748 8.419 1.00 14.40 H +ATOM 35 HE22 GLN A 2 13.868 17.501 8.313 1.00 14.42 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 15.49 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 15.26 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 14.77 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 14.94 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 15.58 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 15.97 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 16.71 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 16.05 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 15.59 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 15.38 H +ATOM 46 HB2 LEU A 3 11.006 14.353 7.407 1.00 15.74 H +ATOM 47 HB3 LEU A 3 9.798 14.615 8.666 1.00 15.55 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 15.84 H +ATOM 49 HD11 LEU A 3 11.219 12.297 6.318 1.00 16.93 H +ATOM 50 HD12 LEU A 3 9.924 11.099 6.301 1.00 16.80 H +ATOM 51 HD13 LEU A 3 9.724 12.628 5.443 1.00 17.03 H +ATOM 52 HD21 LEU A 3 9.809 12.598 9.699 1.00 16.08 H +ATOM 53 HD22 LEU A 3 9.612 11.061 8.856 1.00 15.96 H +ATOM 54 HD23 LEU A 3 11.139 11.939 8.745 1.00 16.30 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 14.32 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 14.03 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 13.34 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 13.29 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 14.31 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 14.30 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 14.29 H +ATOM 62 HB1 ALA A 4 5.481 16.332 7.735 1.00 14.32 H +ATOM 63 HB2 ALA A 4 4.726 16.690 9.287 1.00 14.34 H +ATOM 64 HB3 ALA A 4 5.478 17.983 8.353 1.00 14.64 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 12.98 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 12.48 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 11.62 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 11.76 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 12.81 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 13.36 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 13.57 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 13.93 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 14.23 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 14.47 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 13.15 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 12.71 H +ATOM 77 HB2 HIS A 5 6.718 12.902 11.541 1.00 13.05 H +ATOM 78 HB3 HIS A 5 6.612 12.797 13.298 1.00 12.61 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 13.40 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 14.07 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 14.63 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 10.90 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 10.21 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 9.43 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 9.32 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 10.37 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 10.53 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 10.58 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 10.88 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 10.97 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 11.15 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 10.94 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 10.38 H +ATOM 94 HB2 HIS A 6 10.510 15.350 14.316 1.00 10.69 H +ATOM 95 HB3 HIS A 6 11.169 14.900 15.889 1.00 10.30 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 10.50 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 11.09 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 11.25 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 9.11 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 8.55 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 7.46 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 7.39 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 8.98 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 9.76 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 10.29 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 10.19 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 11.19 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 11.10 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 11.57 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 9.39 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 8.86 H +ATOM 112 HB2 PHE A 7 7.868 15.358 18.619 1.00 9.18 H +ATOM 113 HB3 PHE A 7 7.640 14.399 20.081 1.00 8.77 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 10.16 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 9.98 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 11.72 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 11.57 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 12.35 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 6.86 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 6.01 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 5.07 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 5.28 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 6.54 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 7.08 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 7.15 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 6.02 H +ATOM 127 HB2 SER A 8 5.243 10.099 20.834 1.00 6.79 H +ATOM 128 HB3 SER A 8 5.897 11.728 20.968 1.00 6.61 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 7.42 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 4.41 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 3.84 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 2.84 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 3.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 4.55 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 5.41 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 6.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 6.49 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 6.28 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 4.61 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 4.12 H +ATOM 141 HB2 GLU A 9 6.228 5.717 18.385 1.00 4.86 H +ATOM 142 HB3 GLU A 9 6.813 5.694 16.722 1.00 4.60 H +ATOM 143 HG2 GLU A 9 8.680 7.302 17.746 1.00 5.70 H +ATOM 144 HG3 GLU A 9 8.253 6.447 19.228 1.00 5.72 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 2.18 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 1.51 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 1.23 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 1.13 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 1.87 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 2.49 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 2.65 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 1.77 H +ATOM 153 HB2 PRO A 10 2.338 9.126 13.888 1.00 2.10 H +ATOM 154 HB3 PRO A 10 1.972 10.228 15.221 1.00 2.10 H +ATOM 155 HG2 PRO A 10 4.405 10.080 13.670 1.00 3.08 H +ATOM 156 HG3 PRO A 10 4.020 11.198 14.984 1.00 2.65 H +ATOM 157 HD2 PRO A 10 5.850 8.981 15.049 1.00 3.25 H +ATOM 158 HD3 PRO A 10 5.426 10.077 16.380 1.00 2.87 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 1.29 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 1.13 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 1.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.97 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 1.32 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 1.94 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 2.47 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 2.89 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 3.01 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 1.55 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 1.09 H +ATOM 170 HB2 GLU A 11 -0.348 4.785 16.531 1.00 1.69 H +ATOM 171 HB3 GLU A 11 -0.024 3.275 15.679 1.00 1.69 H +ATOM 172 HG2 GLU A 11 0.828 2.614 17.688 1.00 2.39 H +ATOM 173 HG3 GLU A 11 2.251 3.513 17.160 1.00 2.45 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 0.99 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 0.91 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 0.80 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 0.74 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 1.03 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 1.05 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 1.28 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 1.48 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 1.08 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 0.89 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 1.22 H +ATOM 185 HG12 ILE A 12 -3.166 8.653 11.564 1.00 1.37 H +ATOM 186 HG13 ILE A 12 -2.190 7.468 10.695 1.00 1.18 H +ATOM 187 HG21 ILE A 12 -0.262 8.757 13.707 1.00 1.67 H +ATOM 188 HG22 ILE A 12 -0.514 9.090 11.993 1.00 1.67 H +ATOM 189 HG23 ILE A 12 -1.677 9.673 13.185 1.00 1.72 H +ATOM 190 HD11 ILE A 12 -3.597 5.942 12.550 1.00 1.86 H +ATOM 191 HD12 ILE A 12 -4.780 7.127 11.993 1.00 2.05 H +ATOM 192 HD13 ILE A 12 -3.965 6.080 10.831 1.00 1.87 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 0.81 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 0.76 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 0.68 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 0.62 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 0.86 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 1.35 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 1.19 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 0.89 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 0.74 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 1.13 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 1.84 H +ATOM 204 HG21 THR A 13 1.589 10.024 12.390 1.00 1.65 H +ATOM 205 HG22 THR A 13 3.163 10.814 12.479 1.00 1.61 H +ATOM 206 HG23 THR A 13 2.254 10.827 10.968 1.00 1.72 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 0.72 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 0.69 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 0.58 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 0.50 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 0.82 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 0.88 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 0.87 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 1.02 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 0.80 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 0.67 H +ATOM 217 HB2 LEU A 14 4.844 4.522 12.553 1.00 1.22 H +ATOM 218 HB3 LEU A 14 3.742 3.198 12.178 1.00 0.83 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 1.30 H +ATOM 220 HD11 LEU A 14 5.565 2.209 13.303 1.00 1.27 H +ATOM 221 HD12 LEU A 14 5.611 0.976 12.042 1.00 1.28 H +ATOM 222 HD13 LEU A 14 7.081 1.847 12.477 1.00 1.34 H +ATOM 223 HD21 LEU A 14 4.341 1.893 10.050 1.00 1.44 H +ATOM 224 HD22 LEU A 14 5.379 3.024 9.183 1.00 1.64 H +ATOM 225 HD23 LEU A 14 6.043 1.509 9.793 1.00 1.43 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 0.62 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 0.57 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 0.45 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 0.38 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 0.69 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 0.91 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 0.76 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 1.10 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 0.71 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 0.58 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 0.63 H +ATOM 237 HG12 ILE A 15 -0.165 0.830 11.538 1.00 0.92 H +ATOM 238 HG13 ILE A 15 0.636 2.256 12.200 1.00 0.98 H +ATOM 239 HG21 ILE A 15 -1.137 0.950 9.248 1.00 1.24 H +ATOM 240 HG22 ILE A 15 -2.422 1.676 10.214 1.00 1.27 H +ATOM 241 HG23 ILE A 15 -1.853 2.485 8.754 1.00 1.35 H +ATOM 242 HD11 ILE A 15 -2.373 2.041 12.129 1.00 1.66 H +ATOM 243 HD12 ILE A 15 -1.436 1.369 13.463 1.00 1.56 H +ATOM 244 HD13 ILE A 15 -1.372 3.098 13.125 1.00 1.37 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 0.44 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 0.36 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 0.28 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 0.25 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 0.39 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 1.21 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 1.18 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 1.58 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 0.50 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 0.38 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 0.83 H +ATOM 256 HG12 ILE A 16 -2.240 6.820 7.256 1.00 1.92 H +ATOM 257 HG13 ILE A 16 -1.500 6.481 8.821 1.00 1.86 H +ATOM 258 HG21 ILE A 16 0.152 6.928 5.112 1.00 1.76 H +ATOM 259 HG22 ILE A 16 -1.022 8.082 5.744 1.00 1.82 H +ATOM 260 HG23 ILE A 16 0.704 8.377 5.952 1.00 1.61 H +ATOM 261 HD11 ILE A 16 -1.346 9.181 7.458 1.00 2.05 H +ATOM 262 HD12 ILE A 16 -2.579 8.761 8.649 1.00 2.07 H +ATOM 263 HD13 ILE A 16 -0.877 8.789 9.112 1.00 2.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 0.31 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 0.32 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 0.30 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 0.30 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 0.41 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 0.80 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 1.52 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 1.66 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 1.97 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 2.09 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 1.95 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 0.36 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 0.32 H +ATOM 277 HB2 PHE A 17 4.737 5.017 7.757 1.00 0.65 H +ATOM 278 HB3 PHE A 17 5.792 4.796 6.363 1.00 0.64 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 2.18 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 2.34 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 2.73 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 2.89 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 2.41 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 0.31 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 0.32 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 0.26 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 0.26 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 0.34 H +ATOM 289 HA2 GLY A 18 4.506 1.112 5.208 1.00 0.36 H +ATOM 290 HA3 GLY A 18 3.198 0.670 6.309 1.00 0.35 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 0.23 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 0.22 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 0.21 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 0.22 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 0.24 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 0.28 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 0.28 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 0.24 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 0.24 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 0.25 H +ATOM 301 HG11 VAL A 19 -1.442 1.985 1.761 1.00 1.07 H +ATOM 302 HG12 VAL A 19 -2.756 1.752 2.914 1.00 1.05 H +ATOM 303 HG13 VAL A 19 -2.283 3.383 2.434 1.00 1.05 H +ATOM 304 HG21 VAL A 19 -0.732 1.187 5.532 1.00 1.03 H +ATOM 305 HG22 VAL A 19 -1.945 2.458 5.681 1.00 1.10 H +ATOM 306 HG23 VAL A 19 -2.277 1.034 4.696 1.00 1.03 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 0.22 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 0.25 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 0.27 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 0.28 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 0.29 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 0.36 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 1.07 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 1.70 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 0.22 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 0.26 H +ATOM 317 HB2 MET A 20 3.355 5.424 2.699 1.00 0.33 H +ATOM 318 HB3 MET A 20 3.435 6.068 1.058 1.00 0.34 H +ATOM 319 HG2 MET A 20 0.835 6.461 1.463 1.00 0.70 H +ATOM 320 HG3 MET A 20 1.337 6.469 3.153 1.00 0.72 H +ATOM 321 HE1 MET A 20 -0.050 8.308 1.356 1.00 2.15 H +ATOM 322 HE2 MET A 20 0.362 9.709 2.341 1.00 2.21 H +ATOM 323 HE3 MET A 20 0.802 9.681 0.636 1.00 2.23 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 0.28 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 0.32 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 0.30 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 0.30 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 0.37 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 0.29 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 0.34 H +ATOM 331 HB1 ALA A 21 5.474 1.551 3.017 1.00 1.10 H +ATOM 332 HB2 ALA A 21 6.213 0.395 1.905 1.00 1.10 H +ATOM 333 HB3 ALA A 21 6.963 1.968 2.173 1.00 1.06 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 0.28 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 0.27 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 0.23 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 0.23 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 0.28 H +ATOM 339 HA2 GLY A 22 3.753 -1.610 -0.492 1.00 0.30 H +ATOM 340 HA3 GLY A 22 2.148 -1.252 0.152 1.00 0.28 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 0.21 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 0.19 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 0.20 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 0.19 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 0.22 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 0.28 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 0.27 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 0.21 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 0.19 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 0.26 H +ATOM 351 HG11 VAL A 23 0.275 2.913 -4.723 1.00 1.04 H +ATOM 352 HG12 VAL A 23 -0.217 4.334 -3.801 1.00 1.03 H +ATOM 353 HG13 VAL A 23 1.481 4.096 -4.217 1.00 1.04 H +ATOM 354 HG21 VAL A 23 -0.764 1.461 -2.019 1.00 1.09 H +ATOM 355 HG22 VAL A 23 -0.588 2.873 -0.977 1.00 1.03 H +ATOM 356 HG23 VAL A 23 -1.362 3.031 -2.553 1.00 1.03 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 0.23 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 0.27 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 0.27 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 0.28 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 0.33 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 0.67 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 0.75 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 1.20 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 0.25 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 0.28 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 0.41 H +ATOM 368 HG12 ILE A 24 4.509 4.370 -2.029 1.00 1.29 H +ATOM 369 HG13 ILE A 24 6.149 4.854 -1.595 1.00 1.22 H +ATOM 370 HG21 ILE A 24 7.077 3.642 -4.886 1.00 1.13 H +ATOM 371 HG22 ILE A 24 7.715 4.537 -3.507 1.00 1.25 H +ATOM 372 HG23 ILE A 24 8.052 2.814 -3.671 1.00 1.43 H +ATOM 373 HD11 ILE A 24 5.255 5.230 -4.428 1.00 1.91 H +ATOM 374 HD12 ILE A 24 4.680 6.365 -3.206 1.00 1.60 H +ATOM 375 HD13 ILE A 24 6.411 6.171 -3.484 1.00 1.67 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 0.29 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 0.33 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 0.30 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 0.33 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 0.30 H +ATOM 381 HA2 GLY A 25 7.208 -0.780 -4.746 1.00 0.38 H +ATOM 382 HA3 GLY A 25 6.145 -1.716 -3.692 1.00 0.37 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 0.25 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 0.25 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 0.26 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 0.32 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 0.24 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 0.34 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 0.31 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 0.24 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 0.31 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 0.22 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 0.40 H +ATOM 394 HG21 THR A 26 1.315 -1.690 -8.351 1.00 1.10 H +ATOM 395 HG22 THR A 26 0.581 -2.963 -7.376 1.00 0.98 H +ATOM 396 HG23 THR A 26 -0.119 -1.345 -7.384 1.00 1.03 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 0.24 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 0.33 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 0.39 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 0.47 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 0.37 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 0.39 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 0.47 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 0.49 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 0.22 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 0.38 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 0.37 H +ATOM 408 HG12 ILE A 27 1.872 3.224 -8.418 1.00 0.46 H +ATOM 409 HG13 ILE A 27 2.295 2.707 -6.786 1.00 0.38 H +ATOM 410 HG21 ILE A 27 4.531 3.303 -10.146 1.00 1.04 H +ATOM 411 HG22 ILE A 27 3.742 4.645 -9.316 1.00 1.19 H +ATOM 412 HG23 ILE A 27 5.416 4.237 -8.940 1.00 1.15 H +ATOM 413 HD11 ILE A 27 3.657 5.012 -6.827 1.00 1.14 H +ATOM 414 HD12 ILE A 27 2.410 5.429 -8.002 1.00 1.07 H +ATOM 415 HD13 ILE A 27 1.956 4.947 -6.367 1.00 1.21 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 0.39 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 0.49 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 0.53 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 0.62 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 0.53 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 0.59 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 0.68 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 0.65 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 0.34 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 0.55 H +ATOM 426 HB2 LEU A 28 9.271 0.916 -7.976 1.00 0.60 H +ATOM 427 HB3 LEU A 28 7.975 0.190 -7.035 1.00 0.54 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 0.61 H +ATOM 429 HD11 LEU A 28 9.660 -0.862 -10.178 1.00 1.18 H +ATOM 430 HD12 LEU A 28 10.972 -0.508 -9.054 1.00 1.37 H +ATOM 431 HD13 LEU A 28 10.567 -2.181 -9.439 1.00 1.06 H +ATOM 432 HD21 LEU A 28 9.859 -0.724 -6.142 1.00 1.31 H +ATOM 433 HD22 LEU A 28 9.482 -2.432 -6.370 1.00 1.06 H +ATOM 434 HD23 LEU A 28 10.962 -1.756 -7.050 1.00 1.25 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 0.49 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 0.57 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 0.60 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 0.71 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 0.56 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 1.24 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 1.76 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 1.92 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 0.44 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 0.65 H +ATOM 445 HB2 LEU A 29 5.866 -4.145 -8.630 1.00 0.97 H +ATOM 446 HB3 LEU A 29 4.486 -3.598 -9.585 1.00 0.94 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 1.94 H +ATOM 448 HD11 LEU A 29 7.605 -5.429 -10.191 1.00 2.23 H +ATOM 449 HD12 LEU A 29 6.736 -6.484 -9.077 1.00 2.17 H +ATOM 450 HD13 LEU A 29 6.862 -6.915 -10.783 1.00 2.19 H +ATOM 451 HD21 LEU A 29 3.954 -5.820 -8.931 1.00 2.33 H +ATOM 452 HD22 LEU A 29 3.459 -6.056 -10.607 1.00 2.54 H +ATOM 453 HD23 LEU A 29 4.558 -7.204 -9.842 1.00 2.27 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 0.55 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 0.65 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 0.75 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 0.87 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 0.63 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 0.58 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 0.75 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 0.66 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 0.47 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 0.70 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 0.62 H +ATOM 465 HG12 ILE A 30 1.291 -1.734 -12.162 1.00 0.65 H +ATOM 466 HG13 ILE A 30 2.403 -1.595 -10.800 1.00 0.53 H +ATOM 467 HG21 ILE A 30 2.917 0.172 -14.559 1.00 1.21 H +ATOM 468 HG22 ILE A 30 1.405 -0.548 -14.005 1.00 1.08 H +ATOM 469 HG23 ILE A 30 1.794 1.121 -13.584 1.00 1.31 H +ATOM 470 HD11 ILE A 30 1.321 0.984 -11.174 1.00 0.98 H +ATOM 471 HD12 ILE A 30 -0.038 -0.132 -11.300 1.00 1.16 H +ATOM 472 HD13 ILE A 30 0.973 -0.135 -9.856 1.00 1.31 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 0.73 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 0.87 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 0.94 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 1.07 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 0.86 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 1.29 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 0.65 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 0.95 H +ATOM 481 HB2 SER A 31 8.229 1.269 -12.553 1.00 1.00 H +ATOM 482 HB3 SER A 31 8.389 2.364 -13.923 1.00 1.28 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 1.40 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 0.89 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 1.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 1.05 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 1.18 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 0.96 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 1.27 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 1.62 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 2.13 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 1.95 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 2.53 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 2.15 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 2.64 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 0.80 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 1.09 H +ATOM 498 HB2 TYR A 32 8.905 -2.978 -12.755 1.00 0.96 H +ATOM 499 HB3 TYR A 32 9.236 -4.144 -14.037 1.00 1.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 2.19 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 2.77 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 2.53 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 3.38 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 2.82 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.97 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 1.05 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 1.16 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 1.29 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.88 H +ATOM 510 HA2 GLY A 33 6.606 -4.793 -16.846 1.00 1.11 H +ATOM 511 HA3 GLY A 33 5.165 -4.072 -16.126 1.00 0.99 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 1.14 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 1.29 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 1.41 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 1.55 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 1.28 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 1.74 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 1.77 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 2.19 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 1.05 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 1.35 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 1.42 H +ATOM 523 HG12 ILE A 34 3.899 2.292 -18.745 1.00 2.09 H +ATOM 524 HG13 ILE A 34 4.427 1.254 -20.069 1.00 2.18 H +ATOM 525 HG21 ILE A 34 7.171 1.113 -17.556 1.00 2.04 H +ATOM 526 HG22 ILE A 34 6.717 1.744 -19.137 1.00 2.31 H +ATOM 527 HG23 ILE A 34 6.118 2.520 -17.671 1.00 2.25 H +ATOM 528 HD11 ILE A 34 2.915 -0.321 -18.200 1.00 2.56 H +ATOM 529 HD12 ILE A 34 1.983 1.114 -18.628 1.00 2.60 H +ATOM 530 HD13 ILE A 34 2.553 0.024 -19.892 1.00 2.54 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 1.37 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 1.51 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 1.58 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 1.73 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 1.46 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 1.73 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 2.03 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 2.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 2.45 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 2.76 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 3.14 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 1.27 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 1.61 H +ATOM 544 HB2 ARG A 35 10.316 -1.370 -17.915 1.00 1.77 H +ATOM 545 HB3 ARG A 35 11.321 -0.591 -19.138 1.00 1.58 H +ATOM 546 HG2 ARG A 35 9.715 1.487 -18.346 1.00 2.15 H +ATOM 547 HG3 ARG A 35 9.907 0.593 -16.837 1.00 2.19 H +ATOM 548 HD2 ARG A 35 12.160 1.549 -18.628 1.00 2.45 H +ATOM 549 HD3 ARG A 35 11.701 2.257 -17.081 1.00 2.48 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 2.02 H +ATOM 551 HH11 ARG A 35 13.904 1.948 -15.585 1.00 2.90 H +ATOM 552 HH12 ARG A 35 15.459 1.481 -16.185 1.00 3.21 H +ATOM 553 HH21 ARG A 35 14.201 -0.940 -18.325 1.00 3.41 H +ATOM 554 HH22 ARG A 35 15.628 -0.153 -17.738 1.00 3.66 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 1.50 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 1.59 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 1.69 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 1.84 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 1.50 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 1.77 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 2.23 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 2.70 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 3.07 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 3.56 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 3.58 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 1.38 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 1.68 H +ATOM 568 HB2 ARG A 36 9.201 -5.395 -18.881 1.00 1.51 H +ATOM 569 HB3 ARG A 36 7.629 -5.391 -19.682 1.00 1.60 H +ATOM 570 HG2 ARG A 36 9.746 -6.515 -21.364 1.00 2.13 H +ATOM 571 HG3 ARG A 36 9.520 -7.413 -19.861 1.00 1.96 H +ATOM 572 HD2 ARG A 36 7.206 -6.617 -21.637 1.00 2.56 H +ATOM 573 HD3 ARG A 36 8.059 -8.148 -21.823 1.00 2.57 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 3.18 H +ATOM 575 HH11 ARG A 36 8.773 -9.650 -20.131 1.00 3.68 H +ATOM 576 HH12 ARG A 36 8.959 -9.837 -18.419 1.00 4.16 H +ATOM 577 HH21 ARG A 36 6.506 -7.516 -17.631 1.00 3.74 H +ATOM 578 HH22 ARG A 36 7.675 -8.628 -17.003 1.00 4.16 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 1.64 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 1.75 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 1.91 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 2.05 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 1.69 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 2.11 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 2.66 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 2.38 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 1.52 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 1.80 H +ATOM 589 HB2 LEU A 37 4.833 -2.685 -21.344 1.00 1.91 H +ATOM 590 HB3 LEU A 37 4.580 -1.987 -22.944 1.00 1.94 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 2.63 H +ATOM 592 HD11 LEU A 37 2.557 -2.551 -21.346 1.00 2.82 H +ATOM 593 HD12 LEU A 37 1.525 -3.666 -22.241 1.00 3.15 H +ATOM 594 HD13 LEU A 37 2.474 -4.248 -20.873 1.00 3.10 H +ATOM 595 HD21 LEU A 37 3.385 -2.769 -24.471 1.00 2.77 H +ATOM 596 HD22 LEU A 37 3.647 -4.497 -24.707 1.00 2.87 H +ATOM 597 HD23 LEU A 37 2.081 -3.911 -24.147 1.00 2.45 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 1.90 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 2.06 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 2.14 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 2.20 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 2.05 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 1.98 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 2.03 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 2.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 1.79 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 2.15 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 2.14 H +ATOM 609 HG12 ILE A 38 7.496 0.763 -21.853 1.00 2.00 H +ATOM 610 HG13 ILE A 38 8.980 -0.053 -22.340 1.00 2.02 H +ATOM 611 HG21 ILE A 38 6.040 1.194 -24.978 1.00 2.39 H +ATOM 612 HG22 ILE A 38 5.890 1.051 -23.227 1.00 2.15 H +ATOM 613 HG23 ILE A 38 6.553 2.522 -23.938 1.00 2.23 H +ATOM 614 HD11 ILE A 38 9.566 2.483 -23.100 1.00 2.36 H +ATOM 615 HD12 ILE A 38 8.511 2.809 -21.723 1.00 2.19 H +ATOM 616 HD13 ILE A 38 9.966 1.835 -21.509 1.00 2.20 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 2.35 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 2.45 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 2.85 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 3.21 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 2.30 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 2.60 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 2.94 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 3.56 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 3.91 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 2.55 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 2.58 H +ATOM 628 HB2 LYS A 39 11.275 -2.020 -23.017 1.00 2.10 H +ATOM 629 HB3 LYS A 39 12.152 -2.813 -24.327 1.00 2.50 H +ATOM 630 HG2 LYS A 39 13.918 -2.539 -22.887 1.00 2.77 H +ATOM 631 HG3 LYS A 39 13.980 -0.952 -23.654 1.00 3.02 H +ATOM 632 HD2 LYS A 39 12.042 -0.791 -21.583 1.00 3.26 H +ATOM 633 HD3 LYS A 39 13.464 -1.583 -20.900 1.00 3.12 H +ATOM 634 HE2 LYS A 39 14.020 0.753 -22.635 1.00 3.96 H +ATOM 635 HE3 LYS A 39 13.214 1.114 -21.109 1.00 3.92 H +ATOM 636 HZ1 LYS A 39 15.127 -0.677 -20.410 1.00 4.13 H +ATOM 637 HZ2 LYS A 39 15.907 0.253 -21.594 1.00 4.14 H +ATOM 638 HZ3 LYS A 39 15.239 1.008 -20.226 1.00 4.20 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 3.09 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 3.63 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 4.10 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 4.56 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 3.99 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 4.58 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 5.25 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 6.09 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 6.53 N +ATOM 648 OXT LYS A 40 12.929 0.132 -28.372 1.00 4.44 O +ATOM 649 H LYS A 40 13.719 -1.795 -25.860 1.00 3.09 H +ATOM 650 HA LYS A 40 14.134 -2.672 -28.002 1.00 3.93 H +ATOM 651 HB2 LYS A 40 11.829 -3.770 -27.438 1.00 4.02 H +ATOM 652 HB3 LYS A 40 11.182 -2.586 -28.575 1.00 4.35 H +ATOM 653 HG2 LYS A 40 13.343 -3.542 -29.961 1.00 5.09 H +ATOM 654 HG3 LYS A 40 12.820 -4.984 -29.090 1.00 4.47 H +ATOM 655 HD2 LYS A 40 10.689 -4.962 -30.080 1.00 5.25 H +ATOM 656 HD3 LYS A 40 10.815 -3.263 -30.534 1.00 5.52 H +ATOM 657 HE2 LYS A 40 11.085 -4.746 -32.500 1.00 6.55 H +ATOM 658 HE3 LYS A 40 12.549 -3.814 -32.186 1.00 6.28 H +ATOM 659 HZ1 LYS A 40 13.158 -5.879 -30.755 1.00 6.71 H +ATOM 660 HZ2 LYS A 40 12.038 -6.673 -31.756 1.00 6.79 H +ATOM 661 HZ3 LYS A 40 13.392 -5.912 -32.438 1.00 6.75 H +ATOM 662 N VAL A 41 -9.556 1.761 2.979 1.00 19.64 N +ATOM 663 CA VAL A 41 -8.757 2.687 3.831 1.00 19.45 C +ATOM 664 C VAL A 41 -9.562 3.056 5.079 1.00 18.79 C +ATOM 665 O VAL A 41 -9.844 4.211 5.328 1.00 19.02 O +ATOM 666 CB VAL A 41 -8.433 3.956 3.040 1.00 19.77 C +ATOM 667 CG1 VAL A 41 -9.726 4.722 2.754 1.00 20.22 C +ATOM 668 CG2 VAL A 41 -7.490 4.839 3.859 1.00 19.99 C +ATOM 669 H1 VAL A 41 -10.475 1.580 3.430 1.00 19.83 H +ATOM 670 H2 VAL A 41 -9.706 2.196 2.045 1.00 19.55 H +ATOM 671 H3 VAL A 41 -9.044 0.864 2.866 1.00 19.78 H +ATOM 672 HA VAL A 41 -7.838 2.202 4.125 1.00 19.68 H +ATOM 673 HB VAL A 41 -7.961 3.688 2.106 1.00 19.65 H +ATOM 674 HG11 VAL A 41 -10.572 4.067 2.898 1.00 20.58 H +ATOM 675 HG12 VAL A 41 -9.803 5.562 3.430 1.00 20.10 H +ATOM 676 HG13 VAL A 41 -9.716 5.079 1.736 1.00 20.40 H +ATOM 677 HG21 VAL A 41 -6.684 4.237 4.253 1.00 20.15 H +ATOM 678 HG22 VAL A 41 -7.083 5.615 3.227 1.00 19.89 H +ATOM 679 HG23 VAL A 41 -8.035 5.289 4.676 1.00 20.21 H +ATOM 680 N GLN A 42 -9.935 2.083 5.867 1.00 18.10 N +ATOM 681 CA GLN A 42 -10.721 2.382 7.098 1.00 17.56 C +ATOM 682 C GLN A 42 -9.862 3.206 8.060 1.00 16.86 C +ATOM 683 O GLN A 42 -8.662 3.035 8.136 1.00 16.59 O +ATOM 684 CB GLN A 42 -11.134 1.072 7.776 1.00 17.30 C +ATOM 685 CG GLN A 42 -12.210 0.370 6.942 1.00 17.01 C +ATOM 686 CD GLN A 42 -13.301 1.373 6.561 1.00 16.75 C +ATOM 687 OE1 GLN A 42 -13.464 1.699 5.402 1.00 17.03 O +ATOM 688 NE2 GLN A 42 -14.060 1.879 7.494 1.00 16.36 N +ATOM 689 H GLN A 42 -9.698 1.158 5.649 1.00 18.01 H +ATOM 690 HA GLN A 42 -11.603 2.946 6.833 1.00 18.00 H +ATOM 691 HB2 GLN A 42 -10.271 0.427 7.866 1.00 17.10 H +ATOM 692 HB3 GLN A 42 -11.526 1.286 8.759 1.00 17.65 H +ATOM 693 HG2 GLN A 42 -11.764 -0.037 6.046 1.00 17.14 H +ATOM 694 HG3 GLN A 42 -12.647 -0.430 7.522 1.00 17.03 H +ATOM 695 HE21 GLN A 42 -13.929 1.616 8.430 1.00 16.23 H +ATOM 696 HE22 GLN A 42 -14.761 2.522 7.260 1.00 16.27 H +ATOM 697 N LEU A 43 -10.469 4.098 8.796 1.00 16.69 N +ATOM 698 CA LEU A 43 -9.684 4.931 9.750 1.00 16.15 C +ATOM 699 C LEU A 43 -10.445 5.052 11.072 1.00 15.61 C +ATOM 700 O LEU A 43 -10.058 5.790 11.957 1.00 15.57 O +ATOM 701 CB LEU A 43 -9.476 6.326 9.157 1.00 16.73 C +ATOM 702 CG LEU A 43 -8.056 6.803 9.461 1.00 16.88 C +ATOM 703 CD1 LEU A 43 -7.046 5.828 8.853 1.00 17.47 C +ATOM 704 CD2 LEU A 43 -7.847 8.194 8.856 1.00 17.27 C +ATOM 705 H LEU A 43 -11.437 4.222 8.719 1.00 17.00 H +ATOM 706 HA LEU A 43 -8.725 4.469 9.928 1.00 15.90 H +ATOM 707 HB2 LEU A 43 -9.623 6.286 8.086 1.00 17.22 H +ATOM 708 HB3 LEU A 43 -10.186 7.011 9.593 1.00 16.67 H +ATOM 709 HG LEU A 43 -7.914 6.850 10.531 1.00 16.46 H +ATOM 710 HD11 LEU A 43 -7.524 5.256 8.071 1.00 17.89 H +ATOM 711 HD12 LEU A 43 -6.216 6.381 8.439 1.00 17.56 H +ATOM 712 HD13 LEU A 43 -6.685 5.159 9.621 1.00 17.50 H +ATOM 713 HD21 LEU A 43 -8.800 8.694 8.766 1.00 17.31 H +ATOM 714 HD22 LEU A 43 -7.196 8.771 9.497 1.00 17.40 H +ATOM 715 HD23 LEU A 43 -7.398 8.098 7.879 1.00 17.53 H +ATOM 716 N ALA A 44 -11.527 4.337 11.216 1.00 15.34 N +ATOM 717 CA ALA A 44 -12.308 4.416 12.482 1.00 14.99 C +ATOM 718 C ALA A 44 -11.642 3.545 13.550 1.00 14.10 C +ATOM 719 O ALA A 44 -11.954 3.635 14.721 1.00 13.96 O +ATOM 720 CB ALA A 44 -13.735 3.922 12.236 1.00 15.58 C +ATOM 721 H ALA A 44 -11.827 3.748 10.492 1.00 15.48 H +ATOM 722 HA ALA A 44 -12.336 5.442 12.821 1.00 15.10 H +ATOM 723 HB1 ALA A 44 -13.733 3.211 11.423 1.00 15.78 H +ATOM 724 HB2 ALA A 44 -14.110 3.446 13.130 1.00 15.78 H +ATOM 725 HB3 ALA A 44 -14.367 4.760 11.980 1.00 15.73 H +ATOM 726 N HIS A 45 -10.727 2.702 13.153 1.00 13.65 N +ATOM 727 CA HIS A 45 -10.036 1.822 14.142 1.00 12.91 C +ATOM 728 C HIS A 45 -10.950 0.654 14.518 1.00 12.30 C +ATOM 729 O HIS A 45 -11.987 0.834 15.124 1.00 12.38 O +ATOM 730 CB HIS A 45 -9.698 2.629 15.397 1.00 12.96 C +ATOM 731 CG HIS A 45 -8.322 2.256 15.881 1.00 13.34 C +ATOM 732 ND1 HIS A 45 -7.174 2.830 15.357 1.00 13.54 N +ATOM 733 CD2 HIS A 45 -7.895 1.371 16.839 1.00 13.74 C +ATOM 734 CE1 HIS A 45 -6.122 2.289 15.999 1.00 14.03 C +ATOM 735 NE2 HIS A 45 -6.505 1.393 16.911 1.00 14.18 N +ATOM 736 H HIS A 45 -10.492 2.647 12.204 1.00 13.88 H +ATOM 737 HA HIS A 45 -9.125 1.439 13.705 1.00 12.98 H +ATOM 738 HB2 HIS A 45 -9.724 3.684 15.165 1.00 13.11 H +ATOM 739 HB3 HIS A 45 -10.420 2.412 16.169 1.00 12.79 H +ATOM 740 HD1 HIS A 45 -7.135 3.507 14.650 1.00 13.46 H +ATOM 741 HD2 HIS A 45 -8.540 0.752 17.445 1.00 13.85 H +ATOM 742 HE1 HIS A 45 -5.092 2.550 15.801 1.00 14.39 H +ATOM 743 N HIS A 46 -10.570 -0.545 14.165 1.00 11.87 N +ATOM 744 CA HIS A 46 -11.415 -1.725 14.503 1.00 11.46 C +ATOM 745 C HIS A 46 -10.910 -2.949 13.737 1.00 10.55 C +ATOM 746 O HIS A 46 -11.682 -3.766 13.277 1.00 10.53 O +ATOM 747 CB HIS A 46 -12.867 -1.445 14.115 1.00 11.84 C +ATOM 748 CG HIS A 46 -13.682 -1.211 15.357 1.00 12.35 C +ATOM 749 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 12.68 N +ATOM 750 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 12.80 C +ATOM 751 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 13.29 C +ATOM 752 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 13.39 N +ATOM 753 H HIS A 46 -9.729 -0.668 13.678 1.00 11.95 H +ATOM 754 HA HIS A 46 -11.356 -1.917 15.565 1.00 11.76 H +ATOM 755 HB2 HIS A 46 -12.908 -0.568 13.486 1.00 11.94 H +ATOM 756 HB3 HIS A 46 -13.266 -2.293 13.578 1.00 11.86 H +ATOM 757 HD1 HIS A 46 -14.478 0.705 14.933 1.00 12.63 H +ATOM 758 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 12.83 H +ATOM 759 HE1 HIS A 46 -15.662 0.609 17.169 1.00 13.77 H +ATOM 760 N PHE A 47 -9.619 -3.081 13.594 1.00 10.00 N +ATOM 761 CA PHE A 47 -9.068 -4.252 12.856 1.00 9.29 C +ATOM 762 C PHE A 47 -7.788 -4.732 13.542 1.00 8.27 C +ATOM 763 O PHE A 47 -7.818 -5.593 14.400 1.00 8.29 O +ATOM 764 CB PHE A 47 -8.753 -3.843 11.416 1.00 9.52 C +ATOM 765 CG PHE A 47 -9.856 -4.323 10.503 1.00 10.43 C +ATOM 766 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 10.86 C +ATOM 767 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 11.07 C +ATOM 768 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 11.86 C +ATOM 769 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 12.06 C +ATOM 770 CZ PHE A 47 -11.898 -5.214 8.807 1.00 12.43 C +ATOM 771 H PHE A 47 -9.013 -2.410 13.972 1.00 10.20 H +ATOM 772 HA PHE A 47 -9.796 -5.050 12.852 1.00 9.58 H +ATOM 773 HB2 PHE A 47 -8.680 -2.766 11.356 1.00 9.36 H +ATOM 774 HB3 PHE A 47 -7.817 -4.285 11.112 1.00 9.45 H +ATOM 775 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 10.55 H +ATOM 776 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 10.94 H +ATOM 777 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 12.32 H +ATOM 778 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 12.65 H +ATOM 779 HZ PHE A 47 -12.687 -5.558 8.153 1.00 13.28 H +ATOM 780 N SER A 48 -6.663 -4.183 13.173 1.00 7.61 N +ATOM 781 CA SER A 48 -5.384 -4.610 13.806 1.00 6.80 C +ATOM 782 C SER A 48 -5.133 -3.774 15.062 1.00 5.60 C +ATOM 783 O SER A 48 -4.778 -2.614 14.987 1.00 5.39 O +ATOM 784 CB SER A 48 -4.235 -4.407 12.817 1.00 7.36 C +ATOM 785 OG SER A 48 -4.383 -5.315 11.733 1.00 8.12 O +ATOM 786 H SER A 48 -6.660 -3.492 12.479 1.00 7.83 H +ATOM 787 HA SER A 48 -5.446 -5.654 14.075 1.00 6.96 H +ATOM 788 HB2 SER A 48 -4.258 -3.399 12.441 1.00 7.45 H +ATOM 789 HB3 SER A 48 -3.293 -4.580 13.321 1.00 7.39 H +ATOM 790 HG SER A 48 -4.490 -6.197 12.098 1.00 8.23 H +ATOM 791 N GLU A 49 -5.314 -4.354 16.217 1.00 5.12 N +ATOM 792 CA GLU A 49 -5.088 -3.594 17.478 1.00 4.22 C +ATOM 793 C GLU A 49 -3.595 -3.284 17.641 1.00 3.04 C +ATOM 794 O GLU A 49 -3.221 -2.140 17.803 1.00 3.18 O +ATOM 795 CB GLU A 49 -5.573 -4.425 18.668 1.00 4.88 C +ATOM 796 CG GLU A 49 -6.895 -3.852 19.184 1.00 5.77 C +ATOM 797 CD GLU A 49 -8.064 -4.586 18.523 1.00 6.71 C +ATOM 798 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 7.29 O +ATOM 799 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 7.09 O +ATOM 800 H GLU A 49 -5.601 -5.290 16.254 1.00 5.60 H +ATOM 801 HA GLU A 49 -5.641 -2.668 17.439 1.00 4.31 H +ATOM 802 HB2 GLU A 49 -5.720 -5.449 18.357 1.00 5.35 H +ATOM 803 HB3 GLU A 49 -4.836 -4.389 19.456 1.00 4.66 H +ATOM 804 HG2 GLU A 49 -6.949 -3.979 20.256 1.00 5.92 H +ATOM 805 HG3 GLU A 49 -6.952 -2.800 18.943 1.00 5.90 H +ATOM 806 N PRO A 50 -2.783 -4.313 17.599 1.00 2.28 N +ATOM 807 CA PRO A 50 -1.323 -4.162 17.748 1.00 1.48 C +ATOM 808 C PRO A 50 -0.760 -3.261 16.643 1.00 1.33 C +ATOM 809 O PRO A 50 -1.346 -3.116 15.586 1.00 1.29 O +ATOM 810 CB PRO A 50 -0.764 -5.586 17.621 1.00 2.00 C +ATOM 811 CG PRO A 50 -1.965 -6.548 17.434 1.00 2.71 C +ATOM 812 CD PRO A 50 -3.246 -5.699 17.403 1.00 2.87 C +ATOM 813 HA PRO A 50 -1.083 -3.761 18.719 1.00 1.64 H +ATOM 814 HB2 PRO A 50 -0.106 -5.646 16.764 1.00 2.42 H +ATOM 815 HB3 PRO A 50 -0.226 -5.851 18.518 1.00 2.16 H +ATOM 816 HG2 PRO A 50 -1.859 -7.089 16.504 1.00 3.49 H +ATOM 817 HG3 PRO A 50 -2.010 -7.242 18.259 1.00 2.78 H +ATOM 818 HD2 PRO A 50 -3.736 -5.806 16.447 1.00 3.66 H +ATOM 819 HD3 PRO A 50 -3.908 -5.988 18.204 1.00 3.03 H +ATOM 820 N GLU A 51 0.373 -2.658 16.879 1.00 1.30 N +ATOM 821 CA GLU A 51 0.975 -1.767 15.848 1.00 1.19 C +ATOM 822 C GLU A 51 1.393 -2.592 14.630 1.00 1.06 C +ATOM 823 O GLU A 51 0.764 -2.542 13.592 1.00 1.01 O +ATOM 824 CB GLU A 51 2.206 -1.070 16.431 1.00 1.29 C +ATOM 825 CG GLU A 51 1.789 -0.203 17.619 1.00 1.90 C +ATOM 826 CD GLU A 51 2.683 -0.519 18.818 1.00 2.25 C +ATOM 827 OE1 GLU A 51 2.686 -1.662 19.244 1.00 2.89 O +ATOM 828 OE2 GLU A 51 3.350 0.387 19.291 1.00 2.52 O +ATOM 829 H GLU A 51 0.827 -2.791 17.737 1.00 1.39 H +ATOM 830 HA GLU A 51 0.252 -1.024 15.547 1.00 1.17 H +ATOM 831 HB2 GLU A 51 2.917 -1.814 16.760 1.00 1.78 H +ATOM 832 HB3 GLU A 51 2.660 -0.448 15.674 1.00 1.39 H +ATOM 833 HG2 GLU A 51 1.893 0.841 17.355 1.00 2.21 H +ATOM 834 HG3 GLU A 51 0.761 -0.409 17.874 1.00 2.64 H +ATOM 835 N ILE A 52 2.456 -3.346 14.747 1.00 1.07 N +ATOM 836 CA ILE A 52 2.929 -4.170 13.602 1.00 0.98 C +ATOM 837 C ILE A 52 1.736 -4.780 12.861 1.00 0.89 C +ATOM 838 O ILE A 52 1.701 -4.817 11.647 1.00 0.82 O +ATOM 839 CB ILE A 52 3.841 -5.282 14.128 1.00 1.09 C +ATOM 840 CG1 ILE A 52 4.696 -5.806 12.981 1.00 1.29 C +ATOM 841 CG2 ILE A 52 3.002 -6.426 14.707 1.00 1.27 C +ATOM 842 CD1 ILE A 52 6.170 -5.541 13.287 1.00 2.11 C +ATOM 843 H ILE A 52 2.949 -3.364 15.591 1.00 1.17 H +ATOM 844 HA ILE A 52 3.489 -3.545 12.922 1.00 0.94 H +ATOM 845 HB ILE A 52 4.484 -4.886 14.901 1.00 1.22 H +ATOM 846 HG12 ILE A 52 4.533 -6.867 12.866 1.00 1.49 H +ATOM 847 HG13 ILE A 52 4.420 -5.295 12.071 1.00 1.36 H +ATOM 848 HG21 ILE A 52 2.268 -6.025 15.388 1.00 1.79 H +ATOM 849 HG22 ILE A 52 2.502 -6.947 13.903 1.00 1.73 H +ATOM 850 HG23 ILE A 52 3.646 -7.114 15.234 1.00 1.50 H +ATOM 851 HD11 ILE A 52 6.254 -4.654 13.897 1.00 2.58 H +ATOM 852 HD12 ILE A 52 6.584 -6.385 13.818 1.00 2.56 H +ATOM 853 HD13 ILE A 52 6.709 -5.395 12.363 1.00 2.50 H +ATOM 854 N THR A 53 0.758 -5.255 13.581 1.00 0.92 N +ATOM 855 CA THR A 53 -0.431 -5.857 12.915 1.00 0.87 C +ATOM 856 C THR A 53 -1.121 -4.799 12.050 1.00 0.77 C +ATOM 857 O THR A 53 -1.476 -5.047 10.914 1.00 0.69 O +ATOM 858 CB THR A 53 -1.408 -6.385 13.972 1.00 0.99 C +ATOM 859 OG1 THR A 53 -1.442 -5.496 15.082 1.00 1.57 O +ATOM 860 CG2 THR A 53 -0.954 -7.768 14.440 1.00 1.43 C +ATOM 861 H THR A 53 0.804 -5.213 14.558 1.00 1.01 H +ATOM 862 HA THR A 53 -0.109 -6.675 12.287 1.00 0.85 H +ATOM 863 HB THR A 53 -2.394 -6.462 13.543 1.00 1.38 H +ATOM 864 HG1 THR A 53 -0.975 -4.697 14.839 1.00 1.99 H +ATOM 865 HG21 THR A 53 -0.301 -8.202 13.699 1.00 1.95 H +ATOM 866 HG22 THR A 53 -0.424 -7.675 15.377 1.00 1.96 H +ATOM 867 HG23 THR A 53 -1.816 -8.402 14.577 1.00 1.85 H +ATOM 868 N LEU A 54 -1.329 -3.623 12.576 1.00 0.81 N +ATOM 869 CA LEU A 54 -2.006 -2.571 11.766 1.00 0.74 C +ATOM 870 C LEU A 54 -1.043 -2.026 10.710 1.00 0.62 C +ATOM 871 O LEU A 54 -1.398 -1.894 9.558 1.00 0.52 O +ATOM 872 CB LEU A 54 -2.459 -1.422 12.674 1.00 0.87 C +ATOM 873 CG LEU A 54 -3.787 -0.853 12.165 1.00 1.11 C +ATOM 874 CD1 LEU A 54 -4.040 0.507 12.818 1.00 1.02 C +ATOM 875 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 1.63 C +ATOM 876 H LEU A 54 -1.047 -3.435 13.496 1.00 0.89 H +ATOM 877 HA LEU A 54 -2.866 -2.997 11.271 1.00 0.73 H +ATOM 878 HB2 LEU A 54 -2.591 -1.789 13.681 1.00 1.12 H +ATOM 879 HB3 LEU A 54 -1.712 -0.644 12.669 1.00 1.06 H +ATOM 880 HG LEU A 54 -4.590 -1.529 12.422 1.00 1.49 H +ATOM 881 HD11 LEU A 54 -3.240 0.729 13.508 1.00 1.17 H +ATOM 882 HD12 LEU A 54 -4.079 1.271 12.055 1.00 1.50 H +ATOM 883 HD13 LEU A 54 -4.979 0.481 13.351 1.00 1.52 H +ATOM 884 HD21 LEU A 54 -2.822 -0.159 10.375 1.00 2.19 H +ATOM 885 HD22 LEU A 54 -3.743 -1.650 10.171 1.00 1.88 H +ATOM 886 HD23 LEU A 54 -4.584 -0.106 10.315 1.00 2.07 H +ATOM 887 N ILE A 55 0.167 -1.697 11.078 1.00 0.66 N +ATOM 888 CA ILE A 55 1.107 -1.158 10.055 1.00 0.59 C +ATOM 889 C ILE A 55 1.260 -2.171 8.918 1.00 0.48 C +ATOM 890 O ILE A 55 1.135 -1.833 7.757 1.00 0.39 O +ATOM 891 CB ILE A 55 2.472 -0.900 10.695 1.00 0.70 C +ATOM 892 CG1 ILE A 55 2.311 0.071 11.868 1.00 0.89 C +ATOM 893 CG2 ILE A 55 3.414 -0.291 9.654 1.00 0.73 C +ATOM 894 CD1 ILE A 55 3.576 0.043 12.728 1.00 1.02 C +ATOM 895 H ILE A 55 0.451 -1.799 12.011 1.00 0.76 H +ATOM 896 HA ILE A 55 0.714 -0.232 9.661 1.00 0.57 H +ATOM 897 HB ILE A 55 2.886 -1.832 11.051 1.00 0.70 H +ATOM 898 HG12 ILE A 55 2.154 1.070 11.489 1.00 0.95 H +ATOM 899 HG13 ILE A 55 1.464 -0.227 12.467 1.00 0.95 H +ATOM 900 HG21 ILE A 55 3.450 -0.930 8.784 1.00 1.16 H +ATOM 901 HG22 ILE A 55 3.053 0.686 9.369 1.00 1.26 H +ATOM 902 HG23 ILE A 55 4.404 -0.200 10.075 1.00 1.34 H +ATOM 903 HD11 ILE A 55 4.369 -0.453 12.188 1.00 1.45 H +ATOM 904 HD12 ILE A 55 3.876 1.055 12.960 1.00 1.40 H +ATOM 905 HD13 ILE A 55 3.377 -0.492 13.646 1.00 1.51 H +ATOM 906 N ILE A 56 1.500 -3.417 9.237 1.00 0.51 N +ATOM 907 CA ILE A 56 1.622 -4.438 8.159 1.00 0.45 C +ATOM 908 C ILE A 56 0.327 -4.451 7.349 1.00 0.35 C +ATOM 909 O ILE A 56 0.335 -4.430 6.132 1.00 0.30 O +ATOM 910 CB ILE A 56 1.892 -5.820 8.767 1.00 0.52 C +ATOM 911 CG1 ILE A 56 2.302 -6.791 7.658 1.00 1.19 C +ATOM 912 CG2 ILE A 56 0.637 -6.344 9.462 1.00 1.41 C +ATOM 913 CD1 ILE A 56 3.696 -7.344 7.956 1.00 1.86 C +ATOM 914 H ILE A 56 1.577 -3.680 10.179 1.00 0.59 H +ATOM 915 HA ILE A 56 2.443 -4.168 7.509 1.00 0.46 H +ATOM 916 HB ILE A 56 2.690 -5.741 9.488 1.00 1.05 H +ATOM 917 HG12 ILE A 56 1.592 -7.604 7.612 1.00 1.77 H +ATOM 918 HG13 ILE A 56 2.317 -6.271 6.712 1.00 1.90 H +ATOM 919 HG21 ILE A 56 -0.167 -6.424 8.747 1.00 1.89 H +ATOM 920 HG22 ILE A 56 0.841 -7.317 9.884 1.00 1.87 H +ATOM 921 HG23 ILE A 56 0.356 -5.665 10.249 1.00 2.07 H +ATOM 922 HD11 ILE A 56 4.167 -6.743 8.719 1.00 2.48 H +ATOM 923 HD12 ILE A 56 3.612 -8.364 8.302 1.00 2.31 H +ATOM 924 HD13 ILE A 56 4.294 -7.317 7.057 1.00 2.21 H +ATOM 925 N PHE A 57 -0.790 -4.478 8.027 1.00 0.37 N +ATOM 926 CA PHE A 57 -2.104 -4.486 7.319 1.00 0.34 C +ATOM 927 C PHE A 57 -2.201 -3.262 6.412 1.00 0.29 C +ATOM 928 O PHE A 57 -2.590 -3.358 5.265 1.00 0.27 O +ATOM 929 CB PHE A 57 -3.253 -4.459 8.333 1.00 0.44 C +ATOM 930 CG PHE A 57 -3.822 -5.851 8.480 1.00 1.05 C +ATOM 931 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 1.80 C +ATOM 932 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 1.97 C +ATOM 933 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 2.57 C +ATOM 934 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 2.71 C +ATOM 935 CZ PHE A 57 -4.876 -8.431 8.751 1.00 2.81 C +ATOM 936 H PHE A 57 -0.761 -4.493 9.007 1.00 0.43 H +ATOM 937 HA PHE A 57 -2.178 -5.382 6.718 1.00 0.34 H +ATOM 938 HB2 PHE A 57 -2.889 -4.114 9.290 1.00 0.94 H +ATOM 939 HB3 PHE A 57 -4.026 -3.792 7.982 1.00 0.81 H +ATOM 940 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 2.26 H +ATOM 941 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 2.49 H +ATOM 942 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 3.32 H +ATOM 943 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 3.52 H +ATOM 944 HZ PHE A 57 -5.282 -9.426 8.854 1.00 3.51 H +ATOM 945 N GLY A 58 -1.860 -2.109 6.916 1.00 0.30 N +ATOM 946 CA GLY A 58 -1.944 -0.879 6.079 1.00 0.28 C +ATOM 947 C GLY A 58 -1.104 -1.069 4.816 1.00 0.22 C +ATOM 948 O GLY A 58 -1.550 -0.791 3.722 1.00 0.23 O +ATOM 949 H GLY A 58 -1.556 -2.049 7.847 1.00 0.34 H +ATOM 950 HA2 GLY A 58 -2.975 -0.700 5.804 1.00 0.31 H +ATOM 951 HA3 GLY A 58 -1.567 -0.035 6.637 1.00 0.31 H +ATOM 952 N VAL A 59 0.103 -1.549 4.949 1.00 0.22 N +ATOM 953 CA VAL A 59 0.941 -1.756 3.736 1.00 0.23 C +ATOM 954 C VAL A 59 0.193 -2.684 2.776 1.00 0.22 C +ATOM 955 O VAL A 59 0.058 -2.403 1.600 1.00 0.23 O +ATOM 956 CB VAL A 59 2.272 -2.387 4.143 1.00 0.27 C +ATOM 957 CG1 VAL A 59 3.116 -2.655 2.896 1.00 0.33 C +ATOM 958 CG2 VAL A 59 3.021 -1.426 5.071 1.00 0.30 C +ATOM 959 H VAL A 59 0.451 -1.777 5.837 1.00 0.24 H +ATOM 960 HA VAL A 59 1.124 -0.809 3.253 1.00 0.25 H +ATOM 961 HB VAL A 59 2.086 -3.319 4.659 1.00 0.30 H +ATOM 962 HG11 VAL A 59 2.468 -2.738 2.035 1.00 0.98 H +ATOM 963 HG12 VAL A 59 3.809 -1.839 2.748 1.00 1.10 H +ATOM 964 HG13 VAL A 59 3.665 -3.576 3.024 1.00 1.05 H +ATOM 965 HG21 VAL A 59 2.314 -0.762 5.549 1.00 0.93 H +ATOM 966 HG22 VAL A 59 3.550 -1.991 5.825 1.00 1.14 H +ATOM 967 HG23 VAL A 59 3.726 -0.845 4.496 1.00 1.08 H +ATOM 968 N MET A 60 -0.323 -3.774 3.276 1.00 0.22 N +ATOM 969 CA MET A 60 -1.094 -4.700 2.401 1.00 0.23 C +ATOM 970 C MET A 60 -2.254 -3.926 1.773 1.00 0.24 C +ATOM 971 O MET A 60 -2.497 -3.992 0.583 1.00 0.25 O +ATOM 972 CB MET A 60 -1.641 -5.858 3.238 1.00 0.26 C +ATOM 973 CG MET A 60 -0.478 -6.620 3.877 1.00 0.32 C +ATOM 974 SD MET A 60 -1.054 -8.243 4.436 1.00 1.15 S +ATOM 975 CE MET A 60 -2.280 -7.654 5.630 1.00 1.83 C +ATOM 976 H MET A 60 -0.224 -3.971 4.232 1.00 0.22 H +ATOM 977 HA MET A 60 -0.450 -5.085 1.623 1.00 0.25 H +ATOM 978 HB2 MET A 60 -2.287 -5.468 4.012 1.00 0.29 H +ATOM 979 HB3 MET A 60 -2.203 -6.527 2.604 1.00 0.30 H +ATOM 980 HG2 MET A 60 0.310 -6.750 3.151 1.00 0.69 H +ATOM 981 HG3 MET A 60 -0.103 -6.061 4.721 1.00 0.71 H +ATOM 982 HE1 MET A 60 -2.890 -6.888 5.171 1.00 2.42 H +ATOM 983 HE2 MET A 60 -2.909 -8.473 5.937 1.00 2.17 H +ATOM 984 HE3 MET A 60 -1.773 -7.247 6.495 1.00 2.39 H +ATOM 985 N ALA A 61 -2.967 -3.187 2.580 1.00 0.25 N +ATOM 986 CA ALA A 61 -4.115 -2.391 2.068 1.00 0.27 C +ATOM 987 C ALA A 61 -3.638 -1.441 0.964 1.00 0.26 C +ATOM 988 O ALA A 61 -4.262 -1.329 -0.073 1.00 0.27 O +ATOM 989 CB ALA A 61 -4.761 -1.600 3.215 1.00 0.31 C +ATOM 990 H ALA A 61 -2.741 -3.154 3.532 1.00 0.25 H +ATOM 991 HA ALA A 61 -4.850 -3.067 1.652 1.00 0.29 H +ATOM 992 HB1 ALA A 61 -4.117 -1.623 4.082 1.00 1.02 H +ATOM 993 HB2 ALA A 61 -4.922 -0.576 2.909 1.00 1.10 H +ATOM 994 HB3 ALA A 61 -5.711 -2.049 3.467 1.00 1.06 H +ATOM 995 N GLY A 62 -2.547 -0.744 1.170 1.00 0.25 N +ATOM 996 CA GLY A 62 -2.071 0.195 0.118 1.00 0.26 C +ATOM 997 C GLY A 62 -1.867 -0.571 -1.186 1.00 0.24 C +ATOM 998 O GLY A 62 -2.311 -0.149 -2.235 1.00 0.24 O +ATOM 999 H GLY A 62 -2.048 -0.834 2.007 1.00 0.25 H +ATOM 1000 HA2 GLY A 62 -2.807 0.974 -0.029 1.00 0.29 H +ATOM 1001 HA3 GLY A 62 -1.135 0.635 0.424 1.00 0.27 H +ATOM 1002 N VAL A 63 -1.212 -1.699 -1.139 1.00 0.22 N +ATOM 1003 CA VAL A 63 -1.011 -2.474 -2.397 1.00 0.21 C +ATOM 1004 C VAL A 63 -2.378 -2.781 -3.018 1.00 0.21 C +ATOM 1005 O VAL A 63 -2.596 -2.580 -4.197 1.00 0.21 O +ATOM 1006 CB VAL A 63 -0.285 -3.784 -2.087 1.00 0.23 C +ATOM 1007 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 0.28 C +ATOM 1008 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 0.31 C +ATOM 1009 H VAL A 63 -0.861 -2.036 -0.285 1.00 0.22 H +ATOM 1010 HA VAL A 63 -0.422 -1.889 -3.090 1.00 0.22 H +ATOM 1011 HB VAL A 63 -0.882 -4.373 -1.408 1.00 0.28 H +ATOM 1012 HG11 VAL A 63 -0.997 -4.624 -3.930 1.00 0.98 H +ATOM 1013 HG12 VAL A 63 0.674 -4.062 -3.988 1.00 1.07 H +ATOM 1014 HG13 VAL A 63 0.277 -5.562 -3.150 1.00 1.13 H +ATOM 1015 HG21 VAL A 63 1.555 -2.681 -1.991 1.00 0.96 H +ATOM 1016 HG22 VAL A 63 0.921 -3.172 -0.420 1.00 1.07 H +ATOM 1017 HG23 VAL A 63 1.690 -4.361 -1.472 1.00 1.14 H +ATOM 1018 N ILE A 64 -3.305 -3.257 -2.227 1.00 0.23 N +ATOM 1019 CA ILE A 64 -4.661 -3.568 -2.763 1.00 0.25 C +ATOM 1020 C ILE A 64 -5.271 -2.314 -3.398 1.00 0.26 C +ATOM 1021 O ILE A 64 -5.803 -2.356 -4.489 1.00 0.26 O +ATOM 1022 CB ILE A 64 -5.560 -4.050 -1.624 1.00 0.30 C +ATOM 1023 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 0.32 C +ATOM 1024 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 0.40 C +ATOM 1025 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 1.06 C +ATOM 1026 H ILE A 64 -3.110 -3.409 -1.278 1.00 0.24 H +ATOM 1027 HA ILE A 64 -4.582 -4.345 -3.509 1.00 0.26 H +ATOM 1028 HB ILE A 64 -5.529 -3.335 -0.814 1.00 0.33 H +ATOM 1029 HG12 ILE A 64 -5.463 -6.190 -1.760 1.00 0.77 H +ATOM 1030 HG13 ILE A 64 -3.986 -5.435 -1.159 1.00 0.79 H +ATOM 1031 HG21 ILE A 64 -6.999 -4.697 -3.081 1.00 1.11 H +ATOM 1032 HG22 ILE A 64 -7.579 -4.750 -1.416 1.00 1.08 H +ATOM 1033 HG23 ILE A 64 -7.431 -3.203 -2.249 1.00 1.05 H +ATOM 1034 HD11 ILE A 64 -5.461 -4.704 0.861 1.00 1.59 H +ATOM 1035 HD12 ILE A 64 -6.560 -5.969 0.309 1.00 1.60 H +ATOM 1036 HD13 ILE A 64 -4.911 -6.379 0.781 1.00 1.66 H +ATOM 1037 N GLY A 65 -5.205 -1.198 -2.720 1.00 0.27 N +ATOM 1038 CA GLY A 65 -5.790 0.052 -3.281 1.00 0.30 C +ATOM 1039 C GLY A 65 -5.162 0.350 -4.642 1.00 0.27 C +ATOM 1040 O GLY A 65 -5.849 0.644 -5.600 1.00 0.29 O +ATOM 1041 H GLY A 65 -4.779 -1.184 -1.838 1.00 0.28 H +ATOM 1042 HA2 GLY A 65 -6.857 -0.071 -3.395 1.00 0.33 H +ATOM 1043 HA3 GLY A 65 -5.591 0.874 -2.611 1.00 0.33 H +ATOM 1044 N THR A 66 -3.863 0.275 -4.741 1.00 0.24 N +ATOM 1045 CA THR A 66 -3.207 0.554 -6.048 1.00 0.24 C +ATOM 1046 C THR A 66 -3.780 -0.388 -7.107 1.00 0.24 C +ATOM 1047 O THR A 66 -4.144 0.026 -8.190 1.00 0.28 O +ATOM 1048 CB THR A 66 -1.698 0.331 -5.925 1.00 0.25 C +ATOM 1049 OG1 THR A 66 -1.204 1.052 -4.804 1.00 0.32 O +ATOM 1050 CG2 THR A 66 -1.006 0.823 -7.198 1.00 0.28 C +ATOM 1051 H THR A 66 -3.322 0.034 -3.959 1.00 0.24 H +ATOM 1052 HA THR A 66 -3.399 1.578 -6.336 1.00 0.28 H +ATOM 1053 HB THR A 66 -1.498 -0.721 -5.794 1.00 0.25 H +ATOM 1054 HG1 THR A 66 -1.525 0.620 -4.008 1.00 0.39 H +ATOM 1055 HG21 THR A 66 -1.502 0.405 -8.062 1.00 1.00 H +ATOM 1056 HG22 THR A 66 -1.057 1.901 -7.242 1.00 1.09 H +ATOM 1057 HG23 THR A 66 0.028 0.512 -7.190 1.00 0.99 H +ATOM 1058 N ILE A 67 -3.872 -1.654 -6.801 1.00 0.23 N +ATOM 1059 CA ILE A 67 -4.433 -2.616 -7.791 1.00 0.29 C +ATOM 1060 C ILE A 67 -5.841 -2.165 -8.189 1.00 0.33 C +ATOM 1061 O ILE A 67 -6.184 -2.115 -9.353 1.00 0.40 O +ATOM 1062 CB ILE A 67 -4.498 -4.012 -7.168 1.00 0.33 C +ATOM 1063 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 0.34 C +ATOM 1064 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 0.40 C +ATOM 1065 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 0.41 C +ATOM 1066 H ILE A 67 -3.580 -1.970 -5.920 1.00 0.21 H +ATOM 1067 HA ILE A 67 -3.801 -2.642 -8.667 1.00 0.32 H +ATOM 1068 HB ILE A 67 -4.953 -3.949 -6.190 1.00 0.34 H +ATOM 1069 HG12 ILE A 67 -2.722 -4.870 -8.014 1.00 0.40 H +ATOM 1070 HG13 ILE A 67 -2.429 -3.825 -6.624 1.00 0.34 H +ATOM 1071 HG21 ILE A 67 -5.576 -4.419 -8.978 1.00 1.10 H +ATOM 1072 HG22 ILE A 67 -4.768 -5.824 -8.285 1.00 0.98 H +ATOM 1073 HG23 ILE A 67 -6.244 -5.202 -7.546 1.00 1.06 H +ATOM 1074 HD11 ILE A 67 -3.536 -5.523 -5.165 1.00 1.07 H +ATOM 1075 HD12 ILE A 67 -3.688 -6.582 -6.566 1.00 1.11 H +ATOM 1076 HD13 ILE A 67 -2.090 -6.147 -5.960 1.00 1.14 H +ATOM 1077 N LEU A 68 -6.654 -1.828 -7.225 1.00 0.33 N +ATOM 1078 CA LEU A 68 -8.036 -1.371 -7.533 1.00 0.41 C +ATOM 1079 C LEU A 68 -7.963 -0.162 -8.476 1.00 0.44 C +ATOM 1080 O LEU A 68 -8.666 -0.088 -9.464 1.00 0.51 O +ATOM 1081 CB LEU A 68 -8.758 -1.027 -6.210 1.00 0.44 C +ATOM 1082 CG LEU A 68 -9.339 0.393 -6.232 1.00 0.76 C +ATOM 1083 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 1.14 C +ATOM 1084 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 1.06 C +ATOM 1085 H LEU A 68 -6.353 -1.870 -6.293 1.00 0.30 H +ATOM 1086 HA LEU A 68 -8.568 -2.171 -8.030 1.00 0.46 H +ATOM 1087 HB2 LEU A 68 -9.561 -1.731 -6.053 1.00 0.70 H +ATOM 1088 HB3 LEU A 68 -8.055 -1.108 -5.394 1.00 0.61 H +ATOM 1089 HG LEU A 68 -8.589 1.081 -6.591 1.00 0.84 H +ATOM 1090 HD11 LEU A 68 -11.151 -0.454 -7.012 1.00 1.55 H +ATOM 1091 HD12 LEU A 68 -11.153 1.307 -6.926 1.00 1.54 H +ATOM 1092 HD13 LEU A 68 -10.229 0.487 -8.184 1.00 1.72 H +ATOM 1093 HD21 LEU A 68 -9.616 -0.048 -4.148 1.00 1.51 H +ATOM 1094 HD22 LEU A 68 -9.163 1.625 -4.481 1.00 1.52 H +ATOM 1095 HD23 LEU A 68 -10.804 1.071 -4.816 1.00 1.60 H +ATOM 1096 N LEU A 69 -7.120 0.789 -8.172 1.00 0.40 N +ATOM 1097 CA LEU A 69 -7.008 1.991 -9.048 1.00 0.47 C +ATOM 1098 C LEU A 69 -6.666 1.556 -10.474 1.00 0.51 C +ATOM 1099 O LEU A 69 -7.269 2.002 -11.429 1.00 0.60 O +ATOM 1100 CB LEU A 69 -5.905 2.912 -8.516 1.00 0.47 C +ATOM 1101 CG LEU A 69 -5.953 4.249 -9.259 1.00 1.14 C +ATOM 1102 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 2.02 C +ATOM 1103 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 1.67 C +ATOM 1104 H LEU A 69 -6.563 0.709 -7.368 1.00 0.36 H +ATOM 1105 HA LEU A 69 -7.950 2.524 -9.054 1.00 0.54 H +ATOM 1106 HB2 LEU A 69 -6.056 3.081 -7.460 1.00 0.81 H +ATOM 1107 HB3 LEU A 69 -4.942 2.449 -8.674 1.00 0.89 H +ATOM 1108 HG LEU A 69 -5.755 4.085 -10.309 1.00 1.90 H +ATOM 1109 HD11 LEU A 69 -7.737 4.623 -8.124 1.00 2.49 H +ATOM 1110 HD12 LEU A 69 -7.256 5.952 -9.177 1.00 2.41 H +ATOM 1111 HD13 LEU A 69 -7.996 4.507 -9.864 1.00 2.62 H +ATOM 1112 HD21 LEU A 69 -4.280 4.654 -7.972 1.00 2.08 H +ATOM 1113 HD22 LEU A 69 -4.277 5.573 -9.479 1.00 2.26 H +ATOM 1114 HD23 LEU A 69 -5.383 6.015 -8.179 1.00 2.09 H +ATOM 1115 N ILE A 70 -5.705 0.687 -10.629 1.00 0.47 N +ATOM 1116 CA ILE A 70 -5.336 0.228 -11.998 1.00 0.57 C +ATOM 1117 C ILE A 70 -6.563 -0.366 -12.683 1.00 0.65 C +ATOM 1118 O ILE A 70 -6.864 -0.045 -13.815 1.00 0.77 O +ATOM 1119 CB ILE A 70 -4.238 -0.832 -11.904 1.00 0.55 C +ATOM 1120 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 0.51 C +ATOM 1121 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 0.66 C +ATOM 1122 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 0.54 C +ATOM 1123 H ILE A 70 -5.229 0.334 -9.848 1.00 0.40 H +ATOM 1124 HA ILE A 70 -4.979 1.067 -12.578 1.00 0.62 H +ATOM 1125 HB ILE A 70 -4.577 -1.644 -11.276 1.00 0.53 H +ATOM 1126 HG12 ILE A 70 -2.503 0.425 -12.035 1.00 0.59 H +ATOM 1127 HG13 ILE A 70 -3.247 0.382 -10.436 1.00 0.48 H +ATOM 1128 HG21 ILE A 70 -4.284 -0.669 -14.043 1.00 1.39 H +ATOM 1129 HG22 ILE A 70 -2.853 -1.482 -13.409 1.00 1.07 H +ATOM 1130 HG23 ILE A 70 -4.404 -2.321 -13.439 1.00 1.17 H +ATOM 1131 HD11 ILE A 70 -2.575 -2.193 -10.592 1.00 1.13 H +ATOM 1132 HD12 ILE A 70 -1.360 -1.558 -11.701 1.00 1.23 H +ATOM 1133 HD13 ILE A 70 -1.424 -0.978 -10.035 1.00 1.10 H +ATOM 1134 N SER A 71 -7.284 -1.220 -12.011 1.00 0.63 N +ATOM 1135 CA SER A 71 -8.492 -1.807 -12.649 1.00 0.76 C +ATOM 1136 C SER A 71 -9.414 -0.667 -13.069 1.00 0.83 C +ATOM 1137 O SER A 71 -9.898 -0.620 -14.183 1.00 0.95 O +ATOM 1138 CB SER A 71 -9.215 -2.712 -11.651 1.00 0.74 C +ATOM 1139 OG SER A 71 -8.357 -2.976 -10.549 1.00 1.53 O +ATOM 1140 H SER A 71 -7.036 -1.467 -11.096 1.00 0.55 H +ATOM 1141 HA SER A 71 -8.202 -2.379 -13.519 1.00 0.83 H +ATOM 1142 HB2 SER A 71 -10.107 -2.222 -11.299 1.00 1.04 H +ATOM 1143 HB3 SER A 71 -9.486 -3.640 -12.140 1.00 1.03 H +ATOM 1144 HG SER A 71 -8.902 -3.050 -9.762 1.00 1.76 H +ATOM 1145 N TYR A 72 -9.648 0.266 -12.187 1.00 0.77 N +ATOM 1146 CA TYR A 72 -10.522 1.416 -12.538 1.00 0.87 C +ATOM 1147 C TYR A 72 -9.950 2.131 -13.767 1.00 0.94 C +ATOM 1148 O TYR A 72 -10.658 2.427 -14.708 1.00 1.07 O +ATOM 1149 CB TYR A 72 -10.580 2.390 -11.361 1.00 0.83 C +ATOM 1150 CG TYR A 72 -11.997 2.475 -10.846 1.00 1.09 C +ATOM 1151 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 1.68 C +ATOM 1152 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 1.74 C +ATOM 1153 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 2.03 C +ATOM 1154 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 1.99 C +ATOM 1155 CZ TYR A 72 -14.624 2.637 -9.891 1.00 1.84 C +ATOM 1156 OH TYR A 72 -15.920 2.717 -9.421 1.00 2.25 O +ATOM 1157 H TYR A 72 -9.238 0.213 -11.297 1.00 0.68 H +ATOM 1158 HA TYR A 72 -11.517 1.058 -12.760 1.00 0.96 H +ATOM 1159 HB2 TYR A 72 -9.930 2.038 -10.572 1.00 0.85 H +ATOM 1160 HB3 TYR A 72 -10.256 3.367 -11.685 1.00 0.87 H +ATOM 1161 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 2.29 H +ATOM 1162 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 2.42 H +ATOM 1163 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 2.78 H +ATOM 1164 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 2.69 H +ATOM 1165 HH TYR A 72 -15.906 3.214 -8.599 1.00 2.43 H +ATOM 1166 N GLY A 73 -8.670 2.405 -13.767 1.00 0.88 N +ATOM 1167 CA GLY A 73 -8.058 3.094 -14.938 1.00 0.98 C +ATOM 1168 C GLY A 73 -8.314 2.269 -16.198 1.00 1.10 C +ATOM 1169 O GLY A 73 -8.734 2.784 -17.215 1.00 1.24 O +ATOM 1170 H GLY A 73 -8.113 2.157 -13.001 1.00 0.78 H +ATOM 1171 HA2 GLY A 73 -8.498 4.074 -15.050 1.00 1.05 H +ATOM 1172 HA3 GLY A 73 -6.994 3.190 -14.786 1.00 0.93 H +ATOM 1173 N ILE A 74 -8.073 0.988 -16.135 1.00 1.07 N +ATOM 1174 CA ILE A 74 -8.317 0.133 -17.332 1.00 1.22 C +ATOM 1175 C ILE A 74 -9.781 0.283 -17.758 1.00 1.34 C +ATOM 1176 O ILE A 74 -10.082 0.473 -18.918 1.00 1.50 O +ATOM 1177 CB ILE A 74 -8.007 -1.334 -16.993 1.00 1.20 C +ATOM 1178 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 1.37 C +ATOM 1179 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 1.50 C +ATOM 1180 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 1.81 C +ATOM 1181 H ILE A 74 -7.737 0.590 -15.301 1.00 0.95 H +ATOM 1182 HA ILE A 74 -7.674 0.458 -18.139 1.00 1.29 H +ATOM 1183 HB ILE A 74 -8.338 -1.550 -15.989 1.00 1.42 H +ATOM 1184 HG12 ILE A 74 -6.312 -2.550 -17.507 1.00 1.68 H +ATOM 1185 HG13 ILE A 74 -6.062 -0.820 -17.745 1.00 1.85 H +ATOM 1186 HG21 ILE A 74 -8.746 -1.808 -18.955 1.00 1.93 H +ATOM 1187 HG22 ILE A 74 -8.201 -3.207 -18.030 1.00 1.99 H +ATOM 1188 HG23 ILE A 74 -9.737 -2.434 -17.638 1.00 1.84 H +ATOM 1189 HD11 ILE A 74 -6.547 -1.861 -14.973 1.00 2.15 H +ATOM 1190 HD12 ILE A 74 -4.945 -2.033 -15.691 1.00 2.28 H +ATOM 1191 HD13 ILE A 74 -5.653 -0.431 -15.486 1.00 2.29 H +ATOM 1192 N ARG A 75 -10.691 0.199 -16.825 1.00 1.29 N +ATOM 1193 CA ARG A 75 -12.136 0.339 -17.174 1.00 1.42 C +ATOM 1194 C ARG A 75 -12.369 1.682 -17.864 1.00 1.52 C +ATOM 1195 O ARG A 75 -13.025 1.754 -18.885 1.00 1.68 O +ATOM 1196 CB ARG A 75 -12.990 0.260 -15.904 1.00 1.36 C +ATOM 1197 CG ARG A 75 -14.446 -0.010 -16.285 1.00 1.61 C +ATOM 1198 CD ARG A 75 -15.272 1.263 -16.091 1.00 1.77 C +ATOM 1199 NE ARG A 75 -15.021 1.815 -14.730 1.00 1.70 N +ATOM 1200 CZ ARG A 75 -15.373 3.040 -14.448 1.00 2.10 C +ATOM 1201 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 2.69 N +ATOM 1202 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 2.54 N +ATOM 1203 H ARG A 75 -10.422 0.046 -15.896 1.00 1.17 H +ATOM 1204 HA ARG A 75 -12.419 -0.458 -17.849 1.00 1.53 H +ATOM 1205 HB2 ARG A 75 -12.628 -0.541 -15.274 1.00 1.77 H +ATOM 1206 HB3 ARG A 75 -12.928 1.196 -15.369 1.00 1.52 H +ATOM 1207 HG2 ARG A 75 -14.495 -0.318 -17.320 1.00 2.02 H +ATOM 1208 HG3 ARG A 75 -14.843 -0.794 -15.656 1.00 2.12 H +ATOM 1209 HD2 ARG A 75 -14.987 1.993 -16.834 1.00 2.20 H +ATOM 1210 HD3 ARG A 75 -16.322 1.031 -16.197 1.00 2.01 H +ATOM 1211 HE ARG A 75 -14.591 1.260 -14.047 1.00 1.66 H +ATOM 1212 HH11 ARG A 75 -17.276 2.787 -15.017 1.00 3.04 H +ATOM 1213 HH12 ARG A 75 -16.874 4.367 -14.433 1.00 3.11 H +ATOM 1214 HH21 ARG A 75 -13.553 3.580 -13.813 1.00 2.81 H +ATOM 1215 HH22 ARG A 75 -14.766 4.816 -13.751 1.00 2.97 H +ATOM 1216 N ARG A 76 -11.839 2.750 -17.329 1.00 1.43 N +ATOM 1217 CA ARG A 76 -12.046 4.070 -17.985 1.00 1.55 C +ATOM 1218 C ARG A 76 -11.541 3.960 -19.420 1.00 1.67 C +ATOM 1219 O ARG A 76 -12.216 4.328 -20.359 1.00 1.83 O +ATOM 1220 CB ARG A 76 -11.256 5.148 -17.239 1.00 1.45 C +ATOM 1221 CG ARG A 76 -11.601 6.524 -17.811 1.00 1.62 C +ATOM 1222 CD ARG A 76 -11.544 7.570 -16.696 1.00 1.72 C +ATOM 1223 NE ARG A 76 -11.975 8.895 -17.227 1.00 2.17 N +ATOM 1224 CZ ARG A 76 -11.658 9.250 -18.443 1.00 2.50 C +ATOM 1225 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 2.89 N +ATOM 1226 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 3.17 N +ATOM 1227 H ARG A 76 -11.309 2.682 -16.508 1.00 1.30 H +ATOM 1228 HA ARG A 76 -13.097 4.317 -17.987 1.00 1.63 H +ATOM 1229 HB2 ARG A 76 -11.513 5.120 -16.189 1.00 1.45 H +ATOM 1230 HB3 ARG A 76 -10.199 4.966 -17.356 1.00 1.41 H +ATOM 1231 HG2 ARG A 76 -10.891 6.780 -18.584 1.00 1.82 H +ATOM 1232 HG3 ARG A 76 -12.596 6.501 -18.230 1.00 2.06 H +ATOM 1233 HD2 ARG A 76 -12.203 7.275 -15.893 1.00 2.19 H +ATOM 1234 HD3 ARG A 76 -10.533 7.643 -16.323 1.00 2.00 H +ATOM 1235 HE ARG A 76 -12.498 9.503 -16.662 1.00 2.74 H +ATOM 1236 HH11 ARG A 76 -9.814 9.856 -17.950 1.00 3.01 H +ATOM 1237 HH12 ARG A 76 -10.234 10.017 -19.623 1.00 3.47 H +ATOM 1238 HH21 ARG A 76 -13.427 8.726 -19.222 1.00 3.47 H +ATOM 1239 HH22 ARG A 76 -12.279 9.378 -20.343 1.00 3.71 H +ATOM 1240 N LEU A 77 -10.372 3.412 -19.595 1.00 1.62 N +ATOM 1241 CA LEU A 77 -9.838 3.226 -20.968 1.00 1.76 C +ATOM 1242 C LEU A 77 -10.847 2.389 -21.754 1.00 1.92 C +ATOM 1243 O LEU A 77 -11.184 2.700 -22.877 1.00 2.09 O +ATOM 1244 CB LEU A 77 -8.499 2.489 -20.903 1.00 1.69 C +ATOM 1245 CG LEU A 77 -7.354 3.498 -20.979 1.00 1.72 C +ATOM 1246 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 1.72 C +ATOM 1247 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 2.01 C +ATOM 1248 H LEU A 77 -9.860 3.093 -18.823 1.00 1.49 H +ATOM 1249 HA LEU A 77 -9.707 4.186 -21.445 1.00 1.83 H +ATOM 1250 HB2 LEU A 77 -8.435 1.940 -19.974 1.00 1.59 H +ATOM 1251 HB3 LEU A 77 -8.425 1.802 -21.733 1.00 1.80 H +ATOM 1252 HG LEU A 77 -7.602 4.369 -20.388 1.00 1.71 H +ATOM 1253 HD11 LEU A 77 -6.215 1.793 -20.345 1.00 1.99 H +ATOM 1254 HD12 LEU A 77 -5.255 3.063 -21.106 1.00 2.11 H +ATOM 1255 HD13 LEU A 77 -5.854 3.274 -19.460 1.00 1.93 H +ATOM 1256 HD21 LEU A 77 -8.090 3.976 -22.938 1.00 2.56 H +ATOM 1257 HD22 LEU A 77 -6.646 4.873 -22.467 1.00 2.23 H +ATOM 1258 HD23 LEU A 77 -6.518 3.176 -22.929 1.00 2.13 H +ATOM 1259 N ILE A 78 -11.311 1.322 -21.144 1.00 1.89 N +ATOM 1260 CA ILE A 78 -12.300 0.399 -21.779 1.00 2.07 C +ATOM 1261 C ILE A 78 -11.558 -0.754 -22.449 1.00 2.17 C +ATOM 1262 O ILE A 78 -10.995 -0.618 -23.516 1.00 2.50 O +ATOM 1263 CB ILE A 78 -13.168 1.137 -22.798 1.00 2.14 C +ATOM 1264 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 2.13 C +ATOM 1265 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 2.25 C +ATOM 1266 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 2.38 C +ATOM 1267 H ILE A 78 -10.995 1.123 -20.241 1.00 1.77 H +ATOM 1268 HA ILE A 78 -12.939 -0.006 -21.005 1.00 2.26 H +ATOM 1269 HB ILE A 78 -12.565 1.442 -23.637 1.00 2.30 H +ATOM 1270 HG12 ILE A 78 -14.843 2.195 -21.975 1.00 2.27 H +ATOM 1271 HG13 ILE A 78 -13.310 2.523 -21.165 1.00 2.04 H +ATOM 1272 HG21 ILE A 78 -14.358 -0.639 -22.616 1.00 2.53 H +ATOM 1273 HG22 ILE A 78 -15.220 0.744 -23.290 1.00 2.38 H +ATOM 1274 HG23 ILE A 78 -14.055 -0.138 -24.279 1.00 2.56 H +ATOM 1275 HD11 ILE A 78 -13.193 3.293 -23.965 1.00 2.64 H +ATOM 1276 HD12 ILE A 78 -14.528 4.101 -23.144 1.00 2.66 H +ATOM 1277 HD13 ILE A 78 -12.883 4.269 -22.529 1.00 2.72 H +ATOM 1278 N LYS A 79 -11.549 -1.893 -21.810 1.00 2.25 N +ATOM 1279 CA LYS A 79 -10.841 -3.072 -22.378 1.00 2.60 C +ATOM 1280 C LYS A 79 -11.762 -3.803 -23.357 1.00 2.97 C +ATOM 1281 O LYS A 79 -12.865 -4.183 -23.019 1.00 3.27 O +ATOM 1282 CB LYS A 79 -10.447 -4.018 -21.239 1.00 2.80 C +ATOM 1283 CG LYS A 79 -9.148 -4.741 -21.598 1.00 3.38 C +ATOM 1284 CD LYS A 79 -8.868 -5.834 -20.563 1.00 3.94 C +ATOM 1285 CE LYS A 79 -8.755 -7.188 -21.268 1.00 4.56 C +ATOM 1286 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 5.22 N +ATOM 1287 H LYS A 79 -12.008 -1.968 -20.948 1.00 2.32 H +ATOM 1288 HA LYS A 79 -9.951 -2.744 -22.896 1.00 2.72 H +ATOM 1289 HB2 LYS A 79 -10.306 -3.447 -20.330 1.00 2.65 H +ATOM 1290 HB3 LYS A 79 -11.232 -4.745 -21.088 1.00 3.01 H +ATOM 1291 HG2 LYS A 79 -9.243 -5.186 -22.578 1.00 3.67 H +ATOM 1292 HG3 LYS A 79 -8.332 -4.034 -21.601 1.00 3.67 H +ATOM 1293 HD2 LYS A 79 -7.942 -5.615 -20.051 1.00 4.28 H +ATOM 1294 HD3 LYS A 79 -9.676 -5.869 -19.849 1.00 4.08 H +ATOM 1295 HE2 LYS A 79 -9.594 -7.317 -21.935 1.00 4.79 H +ATOM 1296 HE3 LYS A 79 -7.835 -7.223 -21.833 1.00 4.75 H +ATOM 1297 HZ1 LYS A 79 -9.627 -8.226 -19.688 1.00 5.33 H +ATOM 1298 HZ2 LYS A 79 -8.709 -9.199 -20.731 1.00 5.57 H +ATOM 1299 HZ3 LYS A 79 -7.929 -8.169 -19.627 1.00 5.57 H +ATOM 1300 N LYS A 80 -11.318 -3.995 -24.570 1.00 3.27 N +ATOM 1301 CA LYS A 80 -12.166 -4.698 -25.578 1.00 3.83 C +ATOM 1302 C LYS A 80 -13.409 -3.855 -25.871 1.00 4.00 C +ATOM 1303 O LYS A 80 -14.435 -4.438 -26.180 1.00 4.36 O +ATOM 1304 CB LYS A 80 -12.597 -6.068 -25.037 1.00 4.43 C +ATOM 1305 CG LYS A 80 -11.368 -6.950 -24.795 1.00 5.03 C +ATOM 1306 CD LYS A 80 -10.712 -7.300 -26.133 1.00 5.77 C +ATOM 1307 CE LYS A 80 -9.211 -7.513 -25.928 1.00 6.68 C +ATOM 1308 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 7.38 N +ATOM 1309 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 4.28 O +ATOM 1310 H LYS A 80 -10.426 -3.670 -24.821 1.00 3.31 H +ATOM 1311 HA LYS A 80 -11.603 -4.832 -26.490 1.00 4.17 H +ATOM 1312 HB2 LYS A 80 -13.133 -5.935 -24.109 1.00 4.57 H +ATOM 1313 HB3 LYS A 80 -13.243 -6.548 -25.756 1.00 4.74 H +ATOM 1314 HG2 LYS A 80 -10.659 -6.423 -24.173 1.00 5.27 H +ATOM 1315 HG3 LYS A 80 -11.672 -7.859 -24.299 1.00 5.11 H +ATOM 1316 HD2 LYS A 80 -11.156 -8.206 -26.523 1.00 5.83 H +ATOM 1317 HD3 LYS A 80 -10.867 -6.494 -26.833 1.00 5.97 H +ATOM 1318 HE2 LYS A 80 -8.712 -7.496 -26.886 1.00 6.97 H +ATOM 1319 HE3 LYS A 80 -8.818 -6.726 -25.303 1.00 6.87 H +ATOM 1320 HZ1 LYS A 80 -9.894 -9.262 -25.026 1.00 7.46 H +ATOM 1321 HZ2 LYS A 80 -8.467 -9.458 -25.926 1.00 7.83 H +ATOM 1322 HZ3 LYS A 80 -8.419 -8.696 -24.408 1.00 7.60 H diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pml new file mode 100644 index 0000000..840c8f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all.pml new file mode 100644 index 0000000..91d39de --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml new file mode 100644 index 0000000..1928ccd --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml new file mode 100644 index 0000000..fd096f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm_lig +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_atm.pml new file mode 100644 index 0000000..948c84a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/mp_files/superpose/input_mp_aligned_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/output.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/output.pdb index d1803c3..55a924d 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/output.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/output.pdb @@ -1,1323 +1,1323 @@ -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 18.74 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 18.11 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 17.30 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 17.26 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 18.42 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 18.58 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 18.59 C -ATOM 8 H1 VAL A 1 1.515 -20.822 8.553 1.00 18.63 H -ATOM 9 H2 VAL A 1 1.445 -20.096 7.018 1.00 19.07 H -ATOM 10 H3 VAL A 1 2.948 -20.460 7.716 1.00 19.08 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 18.15 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 18.56 H -ATOM 13 HG11 VAL A 1 -0.277 -19.650 9.164 1.00 18.56 H -ATOM 14 HG12 VAL A 1 -1.337 -18.334 8.655 1.00 18.83 H -ATOM 15 HG13 VAL A 1 -0.699 -19.465 7.461 1.00 18.58 H -ATOM 16 HG21 VAL A 1 1.546 -16.272 9.094 1.00 18.63 H -ATOM 17 HG22 VAL A 1 -0.159 -16.144 8.663 1.00 18.86 H -ATOM 18 HG23 VAL A 1 0.327 -17.098 10.064 1.00 18.54 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 16.78 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 16.11 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 15.69 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 15.68 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 16.10 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 15.49 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 15.09 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 15.39 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 14.56 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 16.93 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 16.10 H -ATOM 30 HB2 GLN A 2 4.114 -21.223 11.959 1.00 16.14 H -ATOM 31 HB3 GLN A 2 5.395 -20.012 11.957 1.00 16.63 H -ATOM 32 HG2 GLN A 2 5.100 -21.388 14.113 1.00 15.60 H -ATOM 33 HG3 GLN A 2 5.195 -19.638 14.295 1.00 15.40 H -ATOM 34 HE21 GLN A 2 3.509 -18.689 15.456 1.00 14.40 H -ATOM 35 HE22 GLN A 2 2.009 -19.422 15.761 1.00 14.42 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 15.49 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 15.26 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 14.77 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 14.94 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 15.58 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 15.97 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 16.71 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 16.05 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 15.59 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 15.38 H -ATOM 46 HB2 LEU A 3 2.349 -15.694 13.547 1.00 15.74 H -ATOM 47 HB3 LEU A 3 3.613 -14.867 14.459 1.00 15.55 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 15.84 H -ATOM 49 HD11 LEU A 3 0.848 -14.524 12.192 1.00 16.93 H -ATOM 50 HD12 LEU A 3 1.179 -12.895 11.603 1.00 16.80 H -ATOM 51 HD13 LEU A 3 2.141 -14.256 11.023 1.00 17.03 H -ATOM 52 HD21 LEU A 3 2.535 -12.966 15.061 1.00 16.08 H -ATOM 53 HD22 LEU A 3 1.695 -11.912 13.925 1.00 15.96 H -ATOM 54 HD23 LEU A 3 0.975 -13.452 14.397 1.00 16.30 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 14.32 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 14.03 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 13.34 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 13.29 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 14.31 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 14.30 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 14.29 H -ATOM 62 HB1 ALA A 4 7.976 -14.199 12.734 1.00 14.32 H -ATOM 63 HB2 ALA A 4 8.967 -13.600 14.063 1.00 14.34 H -ATOM 64 HB3 ALA A 4 9.018 -15.307 13.625 1.00 14.64 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 12.98 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 12.48 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 11.62 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 11.76 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 12.81 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 13.36 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 13.57 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 13.93 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 14.23 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 14.47 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 13.15 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 12.71 H -ATOM 77 HB2 HIS A 5 5.398 -10.987 16.023 1.00 13.05 H -ATOM 78 HB3 HIS A 5 5.620 -10.307 17.636 1.00 12.61 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 13.40 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 14.07 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 14.63 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 10.90 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 10.21 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 9.43 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 9.32 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 10.37 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 10.53 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 10.58 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 10.88 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 10.97 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 11.15 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 10.94 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 10.38 H -ATOM 94 HB2 HIS A 6 4.112 -14.086 20.125 1.00 10.69 H -ATOM 95 HB3 HIS A 6 3.498 -13.599 21.705 1.00 10.30 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 10.50 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 11.09 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 11.25 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 9.11 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 8.55 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 7.46 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 7.39 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 8.98 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 9.76 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 10.29 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 10.19 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 11.19 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 11.10 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 11.57 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 9.39 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 8.86 H -ATOM 112 HB2 PHE A 7 6.719 -11.356 23.478 1.00 9.18 H -ATOM 113 HB3 PHE A 7 6.504 -10.028 24.620 1.00 8.77 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 10.16 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 9.98 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 11.72 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 11.57 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 12.35 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 6.86 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 6.01 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 5.07 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 5.28 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 6.54 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 7.08 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 7.15 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 6.02 H -ATOM 127 HB2 SER A 8 5.982 -5.131 23.882 1.00 6.79 H -ATOM 128 HB3 SER A 8 6.431 -6.722 24.489 1.00 6.61 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 7.42 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 4.41 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 3.84 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 2.84 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 3.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 4.55 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 5.41 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 6.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 6.49 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 6.28 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 4.61 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 4.12 H -ATOM 141 HB2 GLU A 9 2.341 -2.961 21.018 1.00 4.86 H -ATOM 142 HB3 GLU A 9 1.671 -3.768 19.600 1.00 4.60 H -ATOM 143 HG2 GLU A 9 1.236 -5.716 21.372 1.00 5.70 H -ATOM 144 HG3 GLU A 9 1.243 -4.358 22.497 1.00 5.72 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 2.18 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 1.51 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 1.23 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 1.13 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 1.87 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 2.49 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 2.65 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 1.77 H -ATOM 153 HB2 PRO A 10 6.953 -4.952 16.355 1.00 2.10 H -ATOM 154 HB3 PRO A 10 8.045 -5.214 17.721 1.00 2.10 H -ATOM 155 HG2 PRO A 10 5.833 -6.875 16.885 1.00 3.08 H -ATOM 156 HG3 PRO A 10 6.947 -7.145 18.231 1.00 2.65 H -ATOM 157 HD2 PRO A 10 4.185 -6.357 18.373 1.00 3.25 H -ATOM 158 HD3 PRO A 10 5.319 -6.583 19.720 1.00 2.87 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 1.29 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 1.13 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 1.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.97 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 1.32 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 1.94 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 2.47 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 2.89 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 3.01 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 1.55 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 1.09 H -ATOM 170 HB2 GLU A 11 6.853 0.714 17.318 1.00 1.69 H -ATOM 171 HB3 GLU A 11 5.609 1.467 16.319 1.00 1.69 H -ATOM 172 HG2 GLU A 11 4.765 2.151 18.324 1.00 2.39 H -ATOM 173 HG3 GLU A 11 4.094 0.521 18.377 1.00 2.45 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 0.99 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 0.91 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 0.80 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 0.74 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 1.03 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 1.05 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 1.28 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 1.48 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 1.08 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 0.89 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 1.22 H -ATOM 185 HG12 ILE A 12 10.822 -2.356 12.586 1.00 1.37 H -ATOM 186 HG13 ILE A 12 9.246 -2.212 11.808 1.00 1.18 H -ATOM 187 HG21 ILE A 12 8.799 -3.329 15.413 1.00 1.67 H -ATOM 188 HG22 ILE A 12 9.003 -3.984 13.789 1.00 1.67 H -ATOM 189 HG23 ILE A 12 10.412 -3.455 14.709 1.00 1.72 H -ATOM 190 HD11 ILE A 12 9.686 0.312 12.896 1.00 1.86 H -ATOM 191 HD12 ILE A 12 11.267 -0.160 12.271 1.00 2.05 H -ATOM 192 HD13 ILE A 12 9.868 -0.129 11.198 1.00 1.87 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 0.81 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 0.76 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 0.68 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 0.62 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 0.86 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 1.35 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 1.19 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 0.89 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 0.74 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 1.13 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 1.84 H -ATOM 204 HG21 THR A 13 7.912 -5.721 14.906 1.00 1.65 H -ATOM 205 HG22 THR A 13 7.125 -7.157 15.562 1.00 1.61 H -ATOM 206 HG23 THR A 13 7.690 -7.146 13.891 1.00 1.72 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 0.72 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 0.69 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 0.58 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 0.50 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 0.82 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 0.88 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 0.87 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 1.02 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 0.80 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 0.67 H -ATOM 217 HB2 LEU A 14 2.089 -3.078 14.913 1.00 1.22 H -ATOM 218 HB3 LEU A 14 2.151 -1.562 14.014 1.00 0.83 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 1.30 H -ATOM 220 HD11 LEU A 14 0.237 -1.411 15.384 1.00 1.27 H -ATOM 221 HD12 LEU A 14 -0.667 -0.852 13.975 1.00 1.28 H -ATOM 222 HD13 LEU A 14 -1.284 -2.190 14.946 1.00 1.34 H -ATOM 223 HD21 LEU A 14 0.664 -1.509 11.922 1.00 1.44 H -ATOM 224 HD22 LEU A 14 0.400 -3.222 11.594 1.00 1.64 H -ATOM 225 HD23 LEU A 14 -0.954 -2.195 12.067 1.00 1.43 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 0.62 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 0.57 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 0.45 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 0.38 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 0.69 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 0.91 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 0.76 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 1.10 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 0.71 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 0.58 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 0.63 H -ATOM 237 HG12 ILE A 15 3.818 2.192 11.913 1.00 0.92 H -ATOM 238 HG13 ILE A 15 4.088 0.846 13.021 1.00 0.98 H -ATOM 239 HG21 ILE A 15 4.408 1.911 9.510 1.00 1.24 H -ATOM 240 HG22 ILE A 15 5.973 2.324 10.211 1.00 1.27 H -ATOM 241 HG23 ILE A 15 5.828 0.933 9.136 1.00 1.35 H -ATOM 242 HD11 ILE A 15 6.365 2.600 12.102 1.00 1.66 H -ATOM 243 HD12 ILE A 15 5.370 3.040 13.490 1.00 1.56 H -ATOM 244 HD13 ILE A 15 6.296 1.540 13.509 1.00 1.37 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 0.44 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 0.36 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 0.28 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 0.25 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 0.39 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 1.21 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 1.18 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 1.58 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 0.50 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 0.38 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 0.83 H -ATOM 256 HG12 ILE A 16 8.516 -2.734 8.425 1.00 1.92 H -ATOM 257 HG13 ILE A 16 7.901 -2.381 10.039 1.00 1.86 H -ATOM 258 HG21 ILE A 16 6.422 -4.757 7.065 1.00 1.76 H -ATOM 259 HG22 ILE A 16 8.112 -4.844 7.561 1.00 1.82 H -ATOM 260 HG23 ILE A 16 6.926 -5.934 8.278 1.00 1.61 H -ATOM 261 HD11 ILE A 16 9.211 -5.008 9.297 1.00 2.05 H -ATOM 262 HD12 ILE A 16 10.086 -3.653 10.011 1.00 2.07 H -ATOM 263 HD13 ILE A 16 8.792 -4.441 10.913 1.00 2.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 0.31 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 0.32 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 0.30 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 0.30 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 0.41 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 0.80 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 1.52 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 1.66 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 1.97 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 2.09 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 1.95 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 0.36 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 0.32 H -ATOM 277 HB2 PHE A 17 1.924 -4.887 10.445 1.00 0.65 H -ATOM 278 HB3 PHE A 17 0.791 -5.706 9.371 1.00 0.64 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 2.18 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 2.34 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 2.73 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 2.89 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 2.41 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 0.31 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 0.32 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 0.26 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 0.26 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 0.34 H -ATOM 289 HA2 GLY A 18 -0.474 -2.475 7.247 1.00 0.36 H -ATOM 290 HA3 GLY A 18 0.438 -1.089 7.852 1.00 0.35 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 0.23 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 0.22 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 0.21 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 0.22 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 0.24 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 0.28 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 0.28 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 0.24 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 0.24 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 0.25 H -ATOM 301 HG11 VAL A 19 4.415 -1.047 2.547 1.00 1.07 H -ATOM 302 HG12 VAL A 19 5.461 0.194 3.239 1.00 1.05 H -ATOM 303 HG13 VAL A 19 5.986 -1.490 3.217 1.00 1.05 H -ATOM 304 HG21 VAL A 19 3.803 0.365 6.153 1.00 1.03 H -ATOM 305 HG22 VAL A 19 5.539 0.058 6.204 1.00 1.10 H -ATOM 306 HG23 VAL A 19 4.857 1.053 4.918 1.00 1.03 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 0.22 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 0.25 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 0.27 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 0.28 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 0.29 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 0.36 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 1.07 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 1.70 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 0.22 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 0.26 H -ATOM 317 HB2 MET A 20 2.699 -6.028 5.370 1.00 0.33 H -ATOM 318 HB3 MET A 20 2.828 -7.082 3.961 1.00 0.34 H -ATOM 319 HG2 MET A 20 5.189 -5.878 3.715 1.00 0.70 H -ATOM 320 HG3 MET A 20 4.982 -5.632 5.449 1.00 0.72 H -ATOM 321 HE1 MET A 20 6.970 -6.893 3.720 1.00 2.15 H -ATOM 322 HE2 MET A 20 7.575 -7.912 5.023 1.00 2.21 H -ATOM 323 HE3 MET A 20 7.014 -8.650 3.525 1.00 2.23 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 0.28 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 0.32 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 0.30 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 0.30 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 0.37 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 0.29 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 0.34 H -ATOM 331 HB1 ALA A 21 -1.239 -4.012 5.520 1.00 1.10 H -ATOM 332 HB2 ALA A 21 -2.636 -3.839 4.453 1.00 1.10 H -ATOM 333 HB3 ALA A 21 -2.282 -5.395 5.202 1.00 1.06 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 0.28 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 0.27 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 0.23 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 0.23 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 0.28 H -ATOM 339 HA2 GLY A 22 -2.114 -1.684 1.151 1.00 0.30 H -ATOM 340 HA3 GLY A 22 -0.545 -0.911 1.393 1.00 0.28 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 0.21 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 0.19 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 0.20 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 0.19 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 0.22 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 0.28 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 0.27 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 0.21 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 0.19 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 0.26 H -ATOM 351 HG11 VAL A 23 2.853 -4.691 -2.941 1.00 1.04 H -ATOM 352 HG12 VAL A 23 4.186 -5.263 -1.938 1.00 1.03 H -ATOM 353 HG13 VAL A 23 2.639 -6.110 -1.917 1.00 1.04 H -ATOM 354 HG21 VAL A 23 3.137 -2.160 -0.938 1.00 1.09 H -ATOM 355 HG22 VAL A 23 3.944 -3.044 0.357 1.00 1.03 H -ATOM 356 HG23 VAL A 23 4.479 -3.241 -1.311 1.00 1.03 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 0.23 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 0.27 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 0.27 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 0.28 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 0.33 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 0.67 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 0.75 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 1.20 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 0.25 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 0.28 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 0.41 H -ATOM 368 HG12 ILE A 24 0.622 -7.270 1.018 1.00 1.29 H -ATOM 369 HG13 ILE A 24 -0.359 -8.393 1.961 1.00 1.22 H -ATOM 370 HG21 ILE A 24 -2.186 -8.949 -1.123 1.00 1.13 H -ATOM 371 HG22 ILE A 24 -2.016 -9.569 0.518 1.00 1.25 H -ATOM 372 HG23 ILE A 24 -3.316 -8.443 0.133 1.00 1.43 H -ATOM 373 HD11 ILE A 24 0.259 -9.084 -0.886 1.00 1.91 H -ATOM 374 HD12 ILE A 24 1.524 -9.294 0.324 1.00 1.60 H -ATOM 375 HD13 ILE A 24 -0.008 -10.152 0.492 1.00 1.67 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 0.29 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 0.33 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 0.30 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 0.33 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 0.30 H -ATOM 381 HA2 GLY A 25 -4.875 -5.493 -1.780 1.00 0.38 H -ATOM 382 HA3 GLY A 25 -4.454 -3.864 -1.246 1.00 0.37 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 0.25 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 0.25 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 0.26 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 0.32 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 0.24 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 0.34 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 0.31 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 0.24 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 0.31 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 0.22 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 0.40 H -ATOM 394 HG21 THR A 26 -1.096 -2.740 -6.946 1.00 1.10 H -ATOM 395 HG22 THR A 26 -1.145 -1.045 -6.461 1.00 0.98 H -ATOM 396 HG23 THR A 26 0.365 -1.948 -6.355 1.00 1.03 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 0.24 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 0.33 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 0.39 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 0.47 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 0.37 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 0.39 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 0.47 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 0.49 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 0.22 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 0.38 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 0.37 H -ATOM 408 HG12 ILE A 27 1.339 -6.927 -5.942 1.00 0.46 H -ATOM 409 HG13 ILE A 27 0.881 -6.243 -4.383 1.00 0.38 H -ATOM 410 HG21 ILE A 27 -0.940 -8.941 -6.843 1.00 1.04 H -ATOM 411 HG22 ILE A 27 0.575 -9.321 -6.021 1.00 1.19 H -ATOM 412 HG23 ILE A 27 -0.964 -9.778 -5.290 1.00 1.15 H -ATOM 413 HD11 ILE A 27 1.140 -8.798 -3.625 1.00 1.14 H -ATOM 414 HD12 ILE A 27 2.251 -8.821 -4.994 1.00 1.07 H -ATOM 415 HD13 ILE A 27 2.516 -7.696 -3.661 1.00 1.21 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 0.39 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 0.49 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 0.53 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 0.62 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 0.53 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 0.59 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 0.68 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 0.65 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 0.34 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 0.55 H -ATOM 426 HB2 LEU A 28 -5.894 -8.926 -3.958 1.00 0.60 H -ATOM 427 HB3 LEU A 28 -5.177 -7.372 -3.555 1.00 0.54 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 0.61 H -ATOM 429 HD11 LEU A 28 -7.500 -8.412 -6.265 1.00 1.18 H -ATOM 430 HD12 LEU A 28 -8.217 -9.045 -4.783 1.00 1.37 H -ATOM 431 HD13 LEU A 28 -8.919 -7.630 -5.568 1.00 1.06 H -ATOM 432 HD21 LEU A 28 -7.123 -7.383 -2.373 1.00 1.31 H -ATOM 433 HD22 LEU A 28 -7.850 -5.908 -3.009 1.00 1.06 H -ATOM 434 HD23 LEU A 28 -8.716 -7.440 -3.126 1.00 1.25 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 0.49 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 0.57 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 0.60 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 0.71 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 0.56 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 1.24 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 1.76 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 1.92 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 0.44 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 0.65 H -ATOM 445 HB2 LEU A 29 -6.215 -3.323 -6.439 1.00 0.97 H -ATOM 446 HB3 LEU A 29 -4.897 -3.312 -7.612 1.00 0.94 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 1.94 H -ATOM 448 HD11 LEU A 29 -8.540 -3.723 -7.684 1.00 2.23 H -ATOM 449 HD12 LEU A 29 -8.337 -2.085 -7.062 1.00 2.17 H -ATOM 450 HD13 LEU A 29 -8.885 -2.338 -8.720 1.00 2.19 H -ATOM 451 HD21 LEU A 29 -5.702 -1.076 -7.551 1.00 2.33 H -ATOM 452 HD22 LEU A 29 -5.634 -1.142 -9.312 1.00 2.54 H -ATOM 453 HD23 LEU A 29 -7.102 -0.590 -8.507 1.00 2.27 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 0.55 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 0.65 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 0.75 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 0.87 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 0.63 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 0.58 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 0.75 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 0.66 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 0.47 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 0.70 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 0.62 H -ATOM 465 HG12 ILE A 30 -1.532 -3.865 -10.561 1.00 0.65 H -ATOM 466 HG13 ILE A 30 -2.187 -4.150 -8.948 1.00 0.53 H -ATOM 467 HG21 ILE A 30 -1.985 -6.973 -12.031 1.00 1.21 H -ATOM 468 HG22 ILE A 30 -1.135 -5.428 -12.049 1.00 1.08 H -ATOM 469 HG23 ILE A 30 -0.418 -6.820 -11.236 1.00 1.31 H -ATOM 470 HD11 ILE A 30 0.153 -5.717 -9.113 1.00 0.98 H -ATOM 471 HD12 ILE A 30 0.572 -4.152 -9.807 1.00 1.16 H -ATOM 472 HD13 ILE A 30 -0.077 -4.245 -8.170 1.00 1.31 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 0.73 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 0.87 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 0.94 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 1.07 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 0.86 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 1.29 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 0.65 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 0.95 H -ATOM 481 HB2 SER A 31 -5.370 -10.056 -8.498 1.00 1.00 H -ATOM 482 HB3 SER A 31 -5.009 -11.426 -9.544 1.00 1.28 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 1.40 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 0.89 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 1.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 1.05 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 1.18 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 0.96 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 1.27 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 1.62 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 2.13 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 1.95 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 2.53 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 2.15 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 2.64 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 0.80 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 1.09 H -ATOM 498 HB2 TYR A 32 -8.430 -7.136 -9.298 1.00 0.96 H -ATOM 499 HB3 TYR A 32 -9.525 -6.790 -10.637 1.00 1.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 2.19 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 2.77 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 2.53 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 3.38 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 2.82 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 0.97 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 1.05 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 1.16 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 1.29 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 0.88 H -ATOM 510 HA2 GLY A 33 -8.117 -5.739 -14.121 1.00 1.11 H -ATOM 511 HA3 GLY A 33 -6.458 -5.315 -13.695 1.00 0.99 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 1.14 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 1.29 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 1.41 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 1.55 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 1.28 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 1.74 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 1.77 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 2.19 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 1.05 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 1.35 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 1.42 H -ATOM 523 HG12 ILE A 34 -1.999 -10.456 -15.325 1.00 2.09 H -ATOM 524 HG13 ILE A 34 -3.181 -10.328 -16.627 1.00 2.18 H -ATOM 525 HG21 ILE A 34 -5.179 -10.909 -13.539 1.00 2.04 H -ATOM 526 HG22 ILE A 34 -4.623 -11.650 -15.037 1.00 2.31 H -ATOM 527 HG23 ILE A 34 -3.521 -11.490 -13.669 1.00 2.25 H -ATOM 528 HD11 ILE A 34 -2.685 -7.706 -15.563 1.00 2.56 H -ATOM 529 HD12 ILE A 34 -1.143 -8.469 -15.951 1.00 2.60 H -ATOM 530 HD13 ILE A 34 -2.383 -8.305 -17.194 1.00 2.54 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 1.37 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 1.51 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 1.58 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 1.73 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 1.46 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 1.73 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 2.03 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 2.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 2.45 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 2.76 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 3.14 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 1.27 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 1.61 H -ATOM 544 HB2 ARG A 35 -9.198 -10.745 -13.492 1.00 1.77 H -ATOM 545 HB3 ARG A 35 -9.683 -12.271 -14.231 1.00 1.58 H -ATOM 546 HG2 ARG A 35 -7.086 -12.805 -13.528 1.00 2.15 H -ATOM 547 HG3 ARG A 35 -7.595 -11.740 -12.217 1.00 2.19 H -ATOM 548 HD2 ARG A 35 -9.040 -14.248 -13.124 1.00 2.45 H -ATOM 549 HD3 ARG A 35 -8.082 -14.083 -11.654 1.00 2.48 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 2.02 H -ATOM 551 HH11 ARG A 35 -9.859 -14.556 -9.703 1.00 2.90 H -ATOM 552 HH12 ARG A 35 -11.448 -15.205 -9.938 1.00 3.21 H -ATOM 553 HH21 ARG A 35 -12.104 -13.285 -12.750 1.00 3.41 H -ATOM 554 HH22 ARG A 35 -12.718 -14.485 -11.664 1.00 3.66 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 1.50 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 1.59 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 1.69 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 1.84 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 1.50 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 1.77 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 2.23 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 2.70 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 3.07 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 3.56 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 3.58 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 1.38 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 1.68 H -ATOM 568 HB2 ARG A 36 -10.779 -7.278 -15.456 1.00 1.51 H -ATOM 569 HB3 ARG A 36 -9.608 -6.688 -16.636 1.00 1.60 H -ATOM 570 HG2 ARG A 36 -12.155 -7.451 -17.863 1.00 2.13 H -ATOM 571 HG3 ARG A 36 -12.332 -6.162 -16.671 1.00 1.96 H -ATOM 572 HD2 ARG A 36 -10.210 -6.099 -18.826 1.00 2.56 H -ATOM 573 HD3 ARG A 36 -11.815 -5.407 -19.056 1.00 2.57 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 3.18 H -ATOM 575 HH11 ARG A 36 -13.078 -4.084 -17.544 1.00 3.68 H -ATOM 576 HH12 ARG A 36 -13.145 -3.509 -15.912 1.00 4.16 H -ATOM 577 HH21 ARG A 36 -9.726 -3.783 -15.397 1.00 3.74 H -ATOM 578 HH22 ARG A 36 -11.245 -3.340 -14.696 1.00 4.16 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 1.64 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 1.75 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 1.91 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 2.05 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 1.69 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 2.11 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 2.66 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 2.38 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 1.52 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 1.80 H -ATOM 589 HB2 LEU A 37 -5.966 -7.837 -18.456 1.00 1.91 H -ATOM 590 HB3 LEU A 37 -5.533 -8.744 -19.906 1.00 1.94 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 2.63 H -ATOM 592 HD11 LEU A 37 -4.064 -6.727 -19.047 1.00 2.82 H -ATOM 593 HD12 LEU A 37 -3.993 -5.574 -20.379 1.00 3.15 H -ATOM 594 HD13 LEU A 37 -4.941 -5.201 -18.939 1.00 3.10 H -ATOM 595 HD21 LEU A 37 -5.208 -7.960 -21.816 1.00 2.77 H -ATOM 596 HD22 LEU A 37 -6.460 -6.812 -22.291 1.00 2.87 H -ATOM 597 HD23 LEU A 37 -4.798 -6.264 -22.075 1.00 2.45 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 1.90 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 2.06 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 2.14 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 2.20 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 2.05 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 1.98 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 2.03 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 2.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 1.79 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 2.15 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 2.14 H -ATOM 609 HG12 ILE A 38 -6.130 -12.131 -17.575 1.00 2.00 H -ATOM 610 HG13 ILE A 38 -7.854 -12.431 -17.787 1.00 2.02 H -ATOM 611 HG21 ILE A 38 -5.064 -12.654 -20.840 1.00 2.39 H -ATOM 612 HG22 ILE A 38 -4.829 -11.923 -19.253 1.00 2.15 H -ATOM 613 HG23 ILE A 38 -4.576 -13.653 -19.472 1.00 2.23 H -ATOM 614 HD11 ILE A 38 -6.918 -14.975 -17.874 1.00 2.36 H -ATOM 615 HD12 ILE A 38 -5.726 -14.244 -16.797 1.00 2.19 H -ATOM 616 HD13 ILE A 38 -7.440 -14.188 -16.384 1.00 2.20 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 2.35 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 2.45 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 2.85 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 3.21 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 2.30 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 2.60 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 2.94 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 3.56 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 3.91 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 2.55 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 2.58 H -ATOM 628 HB2 LYS A 39 -10.925 -12.317 -18.174 1.00 2.10 H -ATOM 629 HB3 LYS A 39 -12.241 -12.564 -19.322 1.00 2.50 H -ATOM 630 HG2 LYS A 39 -13.333 -13.280 -17.434 1.00 2.77 H -ATOM 631 HG3 LYS A 39 -12.536 -14.799 -17.847 1.00 3.02 H -ATOM 632 HD2 LYS A 39 -10.655 -13.253 -16.383 1.00 3.26 H -ATOM 633 HD3 LYS A 39 -12.182 -13.178 -15.502 1.00 3.12 H -ATOM 634 HE2 LYS A 39 -11.451 -15.848 -16.555 1.00 3.96 H -ATOM 635 HE3 LYS A 39 -10.421 -15.233 -15.264 1.00 3.92 H -ATOM 636 HZ1 LYS A 39 -12.927 -14.629 -14.421 1.00 4.13 H -ATOM 637 HZ2 LYS A 39 -13.138 -16.142 -15.155 1.00 4.14 H -ATOM 638 HZ3 LYS A 39 -12.006 -15.958 -13.903 1.00 4.20 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 3.09 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 3.63 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 4.10 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 4.56 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 3.99 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 4.58 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 5.25 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 6.09 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 6.53 N -ATOM 648 OXT LYS A 40 -11.590 -16.543 -22.385 1.00 4.44 O -ATOM 649 H LYS A 40 -13.071 -14.674 -20.158 1.00 3.09 H -ATOM 650 HA LYS A 40 -14.161 -14.866 -22.232 1.00 3.93 H -ATOM 651 HB2 LYS A 40 -12.896 -12.596 -22.527 1.00 4.02 H -ATOM 652 HB3 LYS A 40 -11.810 -13.532 -23.555 1.00 4.35 H -ATOM 653 HG2 LYS A 40 -14.260 -14.362 -24.459 1.00 5.09 H -ATOM 654 HG3 LYS A 40 -14.590 -12.679 -24.047 1.00 4.47 H -ATOM 655 HD2 LYS A 40 -12.982 -11.863 -25.553 1.00 5.25 H -ATOM 656 HD3 LYS A 40 -12.135 -13.407 -25.630 1.00 5.52 H -ATOM 657 HE2 LYS A 40 -13.445 -12.989 -27.691 1.00 6.55 H -ATOM 658 HE3 LYS A 40 -14.035 -14.409 -26.826 1.00 6.28 H -ATOM 659 HZ1 LYS A 40 -15.575 -12.667 -25.695 1.00 6.71 H -ATOM 660 HZ2 LYS A 40 -15.258 -11.752 -27.090 1.00 6.79 H -ATOM 661 HZ3 LYS A 40 -15.972 -13.285 -27.228 1.00 6.75 H -ATOM 662 N VAL A 41 10.922 3.839 1.467 1.00 19.64 N -ATOM 663 CA VAL A 41 10.922 2.946 2.660 1.00 19.45 C -ATOM 664 C VAL A 41 11.924 3.470 3.690 1.00 18.79 C -ATOM 665 O VAL A 41 12.858 2.788 4.065 1.00 19.02 O -ATOM 666 CB VAL A 41 11.319 1.531 2.237 1.00 19.77 C -ATOM 667 CG1 VAL A 41 12.773 1.530 1.761 1.00 20.22 C -ATOM 668 CG2 VAL A 41 11.175 0.584 3.430 1.00 19.99 C -ATOM 669 H1 VAL A 41 11.602 4.612 1.611 1.00 19.83 H -ATOM 670 H2 VAL A 41 11.192 3.290 0.625 1.00 19.55 H -ATOM 671 H3 VAL A 41 9.971 4.237 1.331 1.00 19.78 H -ATOM 672 HA VAL A 41 9.934 2.928 3.095 1.00 19.68 H -ATOM 673 HB VAL A 41 10.677 1.202 1.432 1.00 19.65 H -ATOM 674 HG11 VAL A 41 13.082 2.542 1.546 1.00 20.58 H -ATOM 675 HG12 VAL A 41 13.404 1.118 2.534 1.00 20.10 H -ATOM 676 HG13 VAL A 41 12.859 0.930 0.867 1.00 20.40 H -ATOM 677 HG21 VAL A 41 10.220 0.749 3.907 1.00 20.15 H -ATOM 678 HG22 VAL A 41 11.233 -0.439 3.087 1.00 19.89 H -ATOM 679 HG23 VAL A 41 11.968 0.772 4.137 1.00 20.21 H -ATOM 680 N GLN A 42 11.741 4.678 4.152 1.00 18.10 N -ATOM 681 CA GLN A 42 12.685 5.241 5.159 1.00 17.56 C -ATOM 682 C GLN A 42 12.590 4.431 6.454 1.00 16.86 C -ATOM 683 O GLN A 42 11.536 3.947 6.817 1.00 16.59 O -ATOM 684 CB GLN A 42 12.323 6.702 5.444 1.00 17.30 C -ATOM 685 CG GLN A 42 12.678 7.573 4.235 1.00 17.01 C -ATOM 686 CD GLN A 42 14.098 7.249 3.768 1.00 16.75 C -ATOM 687 OE1 GLN A 42 14.289 6.722 2.689 1.00 17.03 O -ATOM 688 NE2 GLN A 42 15.109 7.543 4.538 1.00 16.36 N -ATOM 689 H GLN A 42 10.982 5.213 3.838 1.00 18.01 H -ATOM 690 HA GLN A 42 13.693 5.187 4.776 1.00 18.00 H -ATOM 691 HB2 GLN A 42 11.263 6.777 5.642 1.00 17.10 H -ATOM 692 HB3 GLN A 42 12.873 7.046 6.307 1.00 17.65 H -ATOM 693 HG2 GLN A 42 11.980 7.380 3.433 1.00 17.14 H -ATOM 694 HG3 GLN A 42 12.623 8.615 4.516 1.00 17.03 H -ATOM 695 HE21 GLN A 42 14.955 7.968 5.408 1.00 16.23 H -ATOM 696 HE22 GLN A 42 16.022 7.339 4.248 1.00 16.27 H -ATOM 697 N LEU A 43 13.683 4.279 7.151 1.00 16.69 N -ATOM 698 CA LEU A 43 13.652 3.498 8.420 1.00 16.15 C -ATOM 699 C LEU A 43 14.482 4.216 9.485 1.00 15.61 C -ATOM 700 O LEU A 43 14.705 3.701 10.563 1.00 15.57 O -ATOM 701 CB LEU A 43 14.237 2.106 8.175 1.00 16.73 C -ATOM 702 CG LEU A 43 13.415 1.065 8.934 1.00 16.88 C -ATOM 703 CD1 LEU A 43 11.964 1.106 8.452 1.00 17.47 C -ATOM 704 CD2 LEU A 43 13.997 -0.328 8.679 1.00 17.27 C -ATOM 705 H LEU A 43 14.523 4.675 6.840 1.00 17.00 H -ATOM 706 HA LEU A 43 12.632 3.404 8.760 1.00 15.90 H -ATOM 707 HB2 LEU A 43 14.211 1.886 7.117 1.00 17.22 H -ATOM 708 HB3 LEU A 43 15.259 2.080 8.523 1.00 16.67 H -ATOM 709 HG LEU A 43 13.449 1.282 9.993 1.00 16.46 H -ATOM 710 HD11 LEU A 43 11.922 1.571 7.477 1.00 17.89 H -ATOM 711 HD12 LEU A 43 11.577 0.100 8.388 1.00 17.56 H -ATOM 712 HD13 LEU A 43 11.369 1.676 9.149 1.00 17.50 H -ATOM 713 HD21 LEU A 43 15.044 -0.240 8.430 1.00 17.31 H -ATOM 714 HD22 LEU A 43 13.887 -0.932 9.567 1.00 17.40 H -ATOM 715 HD23 LEU A 43 13.470 -0.794 7.859 1.00 17.53 H -ATOM 716 N ALA A 44 14.945 5.401 9.196 1.00 15.34 N -ATOM 717 CA ALA A 44 15.760 6.146 10.196 1.00 14.99 C -ATOM 718 C ALA A 44 14.835 6.805 11.222 1.00 14.10 C -ATOM 719 O ALA A 44 15.270 7.261 12.261 1.00 13.96 O -ATOM 720 CB ALA A 44 16.585 7.221 9.486 1.00 15.58 C -ATOM 721 H ALA A 44 14.757 5.802 8.321 1.00 15.48 H -ATOM 722 HA ALA A 44 16.423 5.457 10.700 1.00 15.10 H -ATOM 723 HB1 ALA A 44 16.074 7.530 8.586 1.00 15.78 H -ATOM 724 HB2 ALA A 44 16.707 8.071 10.141 1.00 15.78 H -ATOM 725 HB3 ALA A 44 17.555 6.821 9.231 1.00 15.73 H -ATOM 726 N HIS A 45 13.561 6.858 10.937 1.00 13.65 N -ATOM 727 CA HIS A 45 12.602 7.485 11.894 1.00 12.91 C -ATOM 728 C HIS A 45 12.691 9.009 11.785 1.00 12.30 C -ATOM 729 O HIS A 45 13.696 9.608 12.110 1.00 12.38 O -ATOM 730 CB HIS A 45 12.948 7.057 13.321 1.00 12.96 C -ATOM 731 CG HIS A 45 11.681 6.764 14.080 1.00 13.34 C -ATOM 732 ND1 HIS A 45 11.040 5.538 14.002 1.00 13.54 N -ATOM 733 CD2 HIS A 45 10.926 7.528 14.935 1.00 13.74 C -ATOM 734 CE1 HIS A 45 9.951 5.599 14.791 1.00 14.03 C -ATOM 735 NE2 HIS A 45 9.835 6.791 15.383 1.00 14.18 N -ATOM 736 H HIS A 45 13.233 6.483 10.094 1.00 13.88 H -ATOM 737 HA HIS A 45 11.598 7.166 11.656 1.00 12.98 H -ATOM 738 HB2 HIS A 45 13.562 6.168 13.291 1.00 13.11 H -ATOM 739 HB3 HIS A 45 13.486 7.851 13.815 1.00 12.79 H -ATOM 740 HD1 HIS A 45 11.326 4.766 13.471 1.00 13.46 H -ATOM 741 HD2 HIS A 45 11.148 8.546 15.218 1.00 13.85 H -ATOM 742 HE1 HIS A 45 9.257 4.783 14.931 1.00 14.39 H -ATOM 743 N HIS A 46 11.642 9.641 11.330 1.00 11.87 N -ATOM 744 CA HIS A 46 11.663 11.126 11.202 1.00 11.46 C -ATOM 745 C HIS A 46 10.453 11.584 10.386 1.00 10.55 C -ATOM 746 O HIS A 46 10.539 12.499 9.591 1.00 10.53 O -ATOM 747 CB HIS A 46 12.947 11.562 10.496 1.00 11.84 C -ATOM 748 CG HIS A 46 13.878 12.195 11.493 1.00 12.35 C -ATOM 749 ND1 HIS A 46 15.168 11.734 11.697 1.00 12.68 N -ATOM 750 CD2 HIS A 46 13.718 13.256 12.350 1.00 12.80 C -ATOM 751 CE1 HIS A 46 15.731 12.506 12.643 1.00 13.29 C -ATOM 752 NE2 HIS A 46 14.890 13.450 13.076 1.00 13.39 N -ATOM 753 H HIS A 46 10.841 9.139 11.075 1.00 11.95 H -ATOM 754 HA HIS A 46 11.623 11.573 12.185 1.00 11.76 H -ATOM 755 HB2 HIS A 46 13.425 10.700 10.053 1.00 11.94 H -ATOM 756 HB3 HIS A 46 12.708 12.277 9.722 1.00 11.86 H -ATOM 757 HD1 HIS A 46 15.594 10.982 11.234 1.00 12.63 H -ATOM 758 HD2 HIS A 46 12.821 13.848 12.447 1.00 12.83 H -ATOM 759 HE1 HIS A 46 16.739 12.379 13.009 1.00 13.77 H -ATOM 760 N PHE A 47 9.325 10.955 10.575 1.00 10.00 N -ATOM 761 CA PHE A 47 8.112 11.355 9.808 1.00 9.29 C -ATOM 762 C PHE A 47 6.882 11.261 10.712 1.00 8.27 C -ATOM 763 O PHE A 47 6.497 12.218 11.354 1.00 8.29 O -ATOM 764 CB PHE A 47 7.938 10.421 8.609 1.00 9.52 C -ATOM 765 CG PHE A 47 8.436 11.107 7.359 1.00 10.43 C -ATOM 766 CD1 PHE A 47 9.807 11.315 7.173 1.00 10.86 C -ATOM 767 CD2 PHE A 47 7.524 11.534 6.387 1.00 11.07 C -ATOM 768 CE1 PHE A 47 10.268 11.950 6.014 1.00 11.86 C -ATOM 769 CE2 PHE A 47 7.985 12.169 5.227 1.00 12.06 C -ATOM 770 CZ PHE A 47 9.357 12.377 5.040 1.00 12.43 C -ATOM 771 H PHE A 47 9.277 10.218 11.220 1.00 10.20 H -ATOM 772 HA PHE A 47 8.226 12.371 9.459 1.00 9.58 H -ATOM 773 HB2 PHE A 47 8.505 9.516 8.773 1.00 9.36 H -ATOM 774 HB3 PHE A 47 6.893 10.175 8.492 1.00 9.45 H -ATOM 775 HD1 PHE A 47 10.510 10.985 7.923 1.00 10.55 H -ATOM 776 HD2 PHE A 47 6.466 11.374 6.530 1.00 10.94 H -ATOM 777 HE1 PHE A 47 11.326 12.110 5.870 1.00 12.32 H -ATOM 778 HE2 PHE A 47 7.282 12.498 4.476 1.00 12.65 H -ATOM 779 HZ PHE A 47 9.712 12.867 4.145 1.00 13.28 H -ATOM 780 N SER A 48 6.261 10.114 10.769 1.00 7.61 N -ATOM 781 CA SER A 48 5.057 9.961 11.633 1.00 6.80 C -ATOM 782 C SER A 48 5.489 9.555 13.043 1.00 5.60 C -ATOM 783 O SER A 48 5.878 8.430 13.285 1.00 5.39 O -ATOM 784 CB SER A 48 4.145 8.883 11.047 1.00 7.36 C -ATOM 785 OG SER A 48 3.607 9.343 9.814 1.00 8.12 O -ATOM 786 H SER A 48 6.587 9.354 10.243 1.00 7.83 H -ATOM 787 HA SER A 48 4.523 10.899 11.676 1.00 6.96 H -ATOM 788 HB2 SER A 48 4.713 7.985 10.873 1.00 7.45 H -ATOM 789 HB3 SER A 48 3.345 8.672 11.745 1.00 7.39 H -ATOM 790 HG SER A 48 3.215 10.207 9.965 1.00 8.23 H -ATOM 791 N GLU A 49 5.424 10.465 13.977 1.00 5.12 N -ATOM 792 CA GLU A 49 5.831 10.134 15.371 1.00 4.22 C -ATOM 793 C GLU A 49 4.836 9.143 15.986 1.00 3.04 C -ATOM 794 O GLU A 49 5.227 8.092 16.453 1.00 3.18 O -ATOM 795 CB GLU A 49 5.867 11.414 16.210 1.00 4.88 C -ATOM 796 CG GLU A 49 7.321 11.828 16.447 1.00 5.77 C -ATOM 797 CD GLU A 49 7.751 12.827 15.371 1.00 6.71 C -ATOM 798 OE1 GLU A 49 7.075 13.831 15.219 1.00 7.29 O -ATOM 799 OE2 GLU A 49 8.748 12.570 14.716 1.00 7.09 O -ATOM 800 H GLU A 49 5.108 11.367 13.760 1.00 5.60 H -ATOM 801 HA GLU A 49 6.815 9.689 15.358 1.00 4.31 H -ATOM 802 HB2 GLU A 49 5.348 12.202 15.685 1.00 5.35 H -ATOM 803 HB3 GLU A 49 5.386 11.235 17.159 1.00 4.66 H -ATOM 804 HG2 GLU A 49 7.411 12.287 17.421 1.00 5.92 H -ATOM 805 HG3 GLU A 49 7.957 10.956 16.400 1.00 5.90 H -ATOM 806 N PRO A 50 3.576 9.506 15.974 1.00 2.28 N -ATOM 807 CA PRO A 50 2.512 8.653 16.536 1.00 1.48 C -ATOM 808 C PRO A 50 2.466 7.303 15.812 1.00 1.33 C -ATOM 809 O PRO A 50 2.901 7.176 14.683 1.00 1.29 O -ATOM 810 CB PRO A 50 1.213 9.437 16.302 1.00 2.00 C -ATOM 811 CG PRO A 50 1.588 10.778 15.622 1.00 2.71 C -ATOM 812 CD PRO A 50 3.110 10.785 15.405 1.00 2.87 C -ATOM 813 HA PRO A 50 2.666 8.508 17.594 1.00 1.64 H -ATOM 814 HB2 PRO A 50 0.555 8.868 15.659 1.00 2.42 H -ATOM 815 HB3 PRO A 50 0.728 9.633 17.245 1.00 2.16 H -ATOM 816 HG2 PRO A 50 1.081 10.861 14.671 1.00 3.49 H -ATOM 817 HG3 PRO A 50 1.310 11.603 16.260 1.00 2.78 H -ATOM 818 HD2 PRO A 50 3.333 10.836 14.349 1.00 3.66 H -ATOM 819 HD3 PRO A 50 3.561 11.612 15.930 1.00 3.03 H -ATOM 820 N GLU A 51 1.940 6.296 16.454 1.00 1.30 N -ATOM 821 CA GLU A 51 1.864 4.955 15.808 1.00 1.19 C -ATOM 822 C GLU A 51 0.907 5.007 14.616 1.00 1.06 C -ATOM 823 O GLU A 51 1.324 4.983 13.476 1.00 1.01 O -ATOM 824 CB GLU A 51 1.354 3.929 16.821 1.00 1.29 C -ATOM 825 CG GLU A 51 2.332 3.834 17.993 1.00 1.90 C -ATOM 826 CD GLU A 51 1.565 3.975 19.308 1.00 2.25 C -ATOM 827 OE1 GLU A 51 0.939 5.004 19.498 1.00 2.89 O -ATOM 828 OE2 GLU A 51 1.616 3.051 20.103 1.00 2.52 O -ATOM 829 H GLU A 51 1.595 6.422 17.362 1.00 1.39 H -ATOM 830 HA GLU A 51 2.847 4.664 15.467 1.00 1.17 H -ATOM 831 HB2 GLU A 51 0.383 4.236 17.185 1.00 1.78 H -ATOM 832 HB3 GLU A 51 1.270 2.963 16.345 1.00 1.39 H -ATOM 833 HG2 GLU A 51 2.831 2.876 17.966 1.00 2.21 H -ATOM 834 HG3 GLU A 51 3.063 4.624 17.917 1.00 2.64 H -ATOM 835 N ILE A 52 -0.374 5.068 14.874 1.00 1.07 N -ATOM 836 CA ILE A 52 -1.367 5.112 13.766 1.00 0.98 C -ATOM 837 C ILE A 52 -0.853 6.001 12.631 1.00 0.89 C -ATOM 838 O ILE A 52 -0.984 5.675 11.467 1.00 0.82 O -ATOM 839 CB ILE A 52 -2.692 5.662 14.302 1.00 1.09 C -ATOM 840 CG1 ILE A 52 -3.814 5.264 13.351 1.00 1.29 C -ATOM 841 CG2 ILE A 52 -2.627 7.189 14.409 1.00 1.27 C -ATOM 842 CD1 ILE A 52 -4.804 4.363 14.087 1.00 2.11 C -ATOM 843 H ILE A 52 -0.685 5.079 15.801 1.00 1.17 H -ATOM 844 HA ILE A 52 -1.525 4.111 13.392 1.00 0.94 H -ATOM 845 HB ILE A 52 -2.887 5.244 15.279 1.00 1.22 H -ATOM 846 HG12 ILE A 52 -4.320 6.151 13.000 1.00 1.49 H -ATOM 847 HG13 ILE A 52 -3.396 4.729 12.512 1.00 1.36 H -ATOM 848 HG21 ILE A 52 -1.726 7.475 14.929 1.00 1.79 H -ATOM 849 HG22 ILE A 52 -2.623 7.619 13.418 1.00 1.73 H -ATOM 850 HG23 ILE A 52 -3.487 7.549 14.953 1.00 1.50 H -ATOM 851 HD11 ILE A 52 -4.282 3.807 14.852 1.00 2.58 H -ATOM 852 HD12 ILE A 52 -5.573 4.969 14.544 1.00 2.56 H -ATOM 853 HD13 ILE A 52 -5.256 3.675 13.387 1.00 2.50 H -ATOM 854 N THR A 53 -0.268 7.118 12.958 1.00 0.92 N -ATOM 855 CA THR A 53 0.256 8.023 11.896 1.00 0.87 C -ATOM 856 C THR A 53 1.333 7.292 11.090 1.00 0.77 C -ATOM 857 O THR A 53 1.343 7.327 9.874 1.00 0.69 O -ATOM 858 CB THR A 53 0.847 9.286 12.533 1.00 0.99 C -ATOM 859 OG1 THR A 53 1.523 8.946 13.737 1.00 1.57 O -ATOM 860 CG2 THR A 53 -0.276 10.276 12.839 1.00 1.43 C -ATOM 861 H THR A 53 -0.170 7.363 13.901 1.00 1.01 H -ATOM 862 HA THR A 53 -0.554 8.302 11.237 1.00 0.85 H -ATOM 863 HB THR A 53 1.544 9.741 11.847 1.00 1.38 H -ATOM 864 HG1 THR A 53 1.591 7.992 13.783 1.00 1.99 H -ATOM 865 HG21 THR A 53 -1.138 10.041 12.234 1.00 1.95 H -ATOM 866 HG22 THR A 53 -0.541 10.209 13.884 1.00 1.96 H -ATOM 867 HG23 THR A 53 0.057 11.279 12.617 1.00 1.85 H -ATOM 868 N LEU A 54 2.250 6.639 11.749 1.00 0.81 N -ATOM 869 CA LEU A 54 3.319 5.923 10.997 1.00 0.74 C -ATOM 870 C LEU A 54 2.749 4.655 10.362 1.00 0.62 C -ATOM 871 O LEU A 54 2.981 4.385 9.202 1.00 0.52 O -ATOM 872 CB LEU A 54 4.460 5.541 11.947 1.00 0.87 C -ATOM 873 CG LEU A 54 5.801 5.645 11.214 1.00 1.11 C -ATOM 874 CD1 LEU A 54 6.877 4.911 12.016 1.00 1.02 C -ATOM 875 CD2 LEU A 54 5.685 5.009 9.825 1.00 1.63 C -ATOM 876 H LEU A 54 2.238 6.624 12.730 1.00 0.89 H -ATOM 877 HA LEU A 54 3.702 6.566 10.218 1.00 0.73 H -ATOM 878 HB2 LEU A 54 4.463 6.210 12.795 1.00 1.12 H -ATOM 879 HB3 LEU A 54 4.318 4.527 12.290 1.00 1.06 H -ATOM 880 HG LEU A 54 6.075 6.685 11.114 1.00 1.49 H -ATOM 881 HD11 LEU A 54 6.444 4.521 12.925 1.00 1.17 H -ATOM 882 HD12 LEU A 54 7.271 4.095 11.428 1.00 1.50 H -ATOM 883 HD13 LEU A 54 7.674 5.596 12.261 1.00 1.52 H -ATOM 884 HD21 LEU A 54 5.233 4.032 9.913 1.00 2.19 H -ATOM 885 HD22 LEU A 54 5.072 5.635 9.194 1.00 1.88 H -ATOM 886 HD23 LEU A 54 6.669 4.913 9.391 1.00 2.07 H -ATOM 887 N ILE A 55 2.014 3.863 11.097 1.00 0.66 N -ATOM 888 CA ILE A 55 1.463 2.621 10.485 1.00 0.59 C -ATOM 889 C ILE A 55 0.616 2.986 9.264 1.00 0.48 C -ATOM 890 O ILE A 55 0.783 2.429 8.196 1.00 0.39 O -ATOM 891 CB ILE A 55 0.593 1.885 11.506 1.00 0.70 C -ATOM 892 CG1 ILE A 55 1.424 1.569 12.752 1.00 0.89 C -ATOM 893 CG2 ILE A 55 0.078 0.582 10.891 1.00 0.73 C -ATOM 894 CD1 ILE A 55 0.493 1.180 13.901 1.00 1.02 C -ATOM 895 H ILE A 55 1.832 4.078 12.036 1.00 0.76 H -ATOM 896 HA ILE A 55 2.277 1.981 10.179 1.00 0.57 H -ATOM 897 HB ILE A 55 -0.246 2.508 11.781 1.00 0.70 H -ATOM 898 HG12 ILE A 55 2.095 0.750 12.537 1.00 0.95 H -ATOM 899 HG13 ILE A 55 1.996 2.440 13.033 1.00 0.95 H -ATOM 900 HG21 ILE A 55 -0.424 0.799 9.960 1.00 1.16 H -ATOM 901 HG22 ILE A 55 0.910 -0.081 10.706 1.00 1.26 H -ATOM 902 HG23 ILE A 55 -0.614 0.112 11.573 1.00 1.34 H -ATOM 903 HD11 ILE A 55 -0.496 0.980 13.512 1.00 1.45 H -ATOM 904 HD12 ILE A 55 0.873 0.294 14.389 1.00 1.40 H -ATOM 905 HD13 ILE A 55 0.441 1.990 14.614 1.00 1.51 H -ATOM 906 N ILE A 56 -0.272 3.938 9.397 1.00 0.51 N -ATOM 907 CA ILE A 56 -1.092 4.344 8.222 1.00 0.45 C -ATOM 908 C ILE A 56 -0.154 4.797 7.104 1.00 0.35 C -ATOM 909 O ILE A 56 -0.285 4.401 5.961 1.00 0.30 O -ATOM 910 CB ILE A 56 -2.051 5.475 8.611 1.00 0.52 C -ATOM 911 CG1 ILE A 56 -3.076 5.680 7.493 1.00 1.19 C -ATOM 912 CG2 ILE A 56 -1.276 6.773 8.831 1.00 1.41 C -ATOM 913 CD1 ILE A 56 -4.484 5.462 8.048 1.00 1.86 C -ATOM 914 H ILE A 56 -0.382 4.394 10.258 1.00 0.59 H -ATOM 915 HA ILE A 56 -1.664 3.493 7.879 1.00 0.46 H -ATOM 916 HB ILE A 56 -2.563 5.209 9.522 1.00 1.05 H -ATOM 917 HG12 ILE A 56 -2.991 6.685 7.106 1.00 1.77 H -ATOM 918 HG13 ILE A 56 -2.890 4.970 6.700 1.00 1.90 H -ATOM 919 HG21 ILE A 56 -0.760 7.045 7.924 1.00 1.89 H -ATOM 920 HG22 ILE A 56 -1.964 7.560 9.103 1.00 1.87 H -ATOM 921 HG23 ILE A 56 -0.563 6.630 9.626 1.00 2.07 H -ATOM 922 HD11 ILE A 56 -4.422 4.972 9.008 1.00 2.48 H -ATOM 923 HD12 ILE A 56 -4.978 6.416 8.162 1.00 2.31 H -ATOM 924 HD13 ILE A 56 -5.049 4.845 7.365 1.00 2.21 H -ATOM 925 N PHE A 57 0.802 5.624 7.438 1.00 0.37 N -ATOM 926 CA PHE A 57 1.770 6.113 6.413 1.00 0.34 C -ATOM 927 C PHE A 57 2.465 4.923 5.758 1.00 0.29 C -ATOM 928 O PHE A 57 2.591 4.852 4.552 1.00 0.27 O -ATOM 929 CB PHE A 57 2.821 7.018 7.066 1.00 0.44 C -ATOM 930 CG PHE A 57 2.475 8.464 6.792 1.00 1.05 C -ATOM 931 CD1 PHE A 57 1.389 9.059 7.443 1.00 1.80 C -ATOM 932 CD2 PHE A 57 3.242 9.206 5.885 1.00 1.97 C -ATOM 933 CE1 PHE A 57 1.068 10.398 7.188 1.00 2.57 C -ATOM 934 CE2 PHE A 57 2.920 10.546 5.631 1.00 2.71 C -ATOM 935 CZ PHE A 57 1.834 11.141 6.282 1.00 2.81 C -ATOM 936 H PHE A 57 0.880 5.921 8.370 1.00 0.43 H -ATOM 937 HA PHE A 57 1.235 6.674 5.659 1.00 0.34 H -ATOM 938 HB2 PHE A 57 2.840 6.848 8.133 1.00 0.94 H -ATOM 939 HB3 PHE A 57 3.792 6.799 6.650 1.00 0.81 H -ATOM 940 HD1 PHE A 57 0.797 8.485 8.142 1.00 2.26 H -ATOM 941 HD2 PHE A 57 4.080 8.747 5.384 1.00 2.49 H -ATOM 942 HE1 PHE A 57 0.229 10.857 7.691 1.00 3.32 H -ATOM 943 HE2 PHE A 57 3.512 11.118 4.931 1.00 3.52 H -ATOM 944 HZ PHE A 57 1.586 12.173 6.085 1.00 3.51 H -ATOM 945 N GLY A 58 2.926 3.987 6.541 1.00 0.30 N -ATOM 946 CA GLY A 58 3.621 2.807 5.957 1.00 0.28 C -ATOM 947 C GLY A 58 2.695 2.119 4.956 1.00 0.22 C -ATOM 948 O GLY A 58 3.091 1.801 3.854 1.00 0.23 O -ATOM 949 H GLY A 58 2.823 4.065 7.514 1.00 0.34 H -ATOM 950 HA2 GLY A 58 4.522 3.132 5.453 1.00 0.31 H -ATOM 951 HA3 GLY A 58 3.879 2.113 6.743 1.00 0.31 H -ATOM 952 N VAL A 59 1.460 1.893 5.318 1.00 0.22 N -ATOM 953 CA VAL A 59 0.530 1.234 4.359 1.00 0.23 C -ATOM 954 C VAL A 59 0.476 2.069 3.078 1.00 0.22 C -ATOM 955 O VAL A 59 0.616 1.557 1.982 1.00 0.23 O -ATOM 956 CB VAL A 59 -0.861 1.146 4.986 1.00 0.27 C -ATOM 957 CG1 VAL A 59 -1.835 0.522 3.985 1.00 0.33 C -ATOM 958 CG2 VAL A 59 -0.791 0.275 6.244 1.00 0.30 C -ATOM 959 H VAL A 59 1.148 2.159 6.208 1.00 0.24 H -ATOM 960 HA VAL A 59 0.885 0.243 4.129 1.00 0.25 H -ATOM 961 HB VAL A 59 -1.201 2.138 5.249 1.00 0.30 H -ATOM 962 HG11 VAL A 59 -1.462 0.668 2.982 1.00 0.98 H -ATOM 963 HG12 VAL A 59 -1.927 -0.536 4.185 1.00 1.10 H -ATOM 964 HG13 VAL A 59 -2.802 0.994 4.083 1.00 1.05 H -ATOM 965 HG21 VAL A 59 0.219 0.277 6.628 1.00 0.93 H -ATOM 966 HG22 VAL A 59 -1.462 0.669 6.993 1.00 1.14 H -ATOM 967 HG23 VAL A 59 -1.080 -0.737 5.998 1.00 1.08 H -ATOM 968 N MET A 60 0.305 3.357 3.208 1.00 0.22 N -ATOM 969 CA MET A 60 0.280 4.228 2.000 1.00 0.23 C -ATOM 970 C MET A 60 1.593 4.045 1.238 1.00 0.24 C -ATOM 971 O MET A 60 1.615 3.860 0.036 1.00 0.25 O -ATOM 972 CB MET A 60 0.132 5.690 2.428 1.00 0.26 C -ATOM 973 CG MET A 60 -1.175 5.866 3.203 1.00 0.32 C -ATOM 974 SD MET A 60 -1.605 7.623 3.273 1.00 1.15 S -ATOM 975 CE MET A 60 -0.141 8.182 4.180 1.00 1.83 C -ATOM 976 H MET A 60 0.218 3.753 4.101 1.00 0.22 H -ATOM 977 HA MET A 60 -0.550 3.948 1.367 1.00 0.25 H -ATOM 978 HB2 MET A 60 0.966 5.966 3.057 1.00 0.29 H -ATOM 979 HB3 MET A 60 0.117 6.322 1.552 1.00 0.30 H -ATOM 980 HG2 MET A 60 -1.965 5.323 2.705 1.00 0.69 H -ATOM 981 HG3 MET A 60 -1.053 5.485 4.205 1.00 0.71 H -ATOM 982 HE1 MET A 60 0.745 7.763 3.725 1.00 2.42 H -ATOM 983 HE2 MET A 60 -0.085 9.257 4.147 1.00 2.17 H -ATOM 984 HE3 MET A 60 -0.211 7.857 5.210 1.00 2.39 H -ATOM 985 N ALA A 61 2.689 4.093 1.946 1.00 0.25 N -ATOM 986 CA ALA A 61 4.020 3.922 1.300 1.00 0.27 C -ATOM 987 C ALA A 61 4.071 2.579 0.564 1.00 0.26 C -ATOM 988 O ALA A 61 4.520 2.504 -0.563 1.00 0.27 O -ATOM 989 CB ALA A 61 5.132 3.997 2.357 1.00 0.31 C -ATOM 990 H ALA A 61 2.636 4.239 2.912 1.00 0.25 H -ATOM 991 HA ALA A 61 4.164 4.718 0.583 1.00 0.29 H -ATOM 992 HB1 ALA A 61 4.700 3.938 3.346 1.00 1.02 H -ATOM 993 HB2 ALA A 61 5.827 3.183 2.216 1.00 1.10 H -ATOM 994 HB3 ALA A 61 5.657 4.936 2.255 1.00 1.06 H -ATOM 995 N GLY A 62 3.630 1.511 1.183 1.00 0.25 N -ATOM 996 CA GLY A 62 3.682 0.194 0.492 1.00 0.26 C -ATOM 997 C GLY A 62 2.921 0.286 -0.828 1.00 0.24 C -ATOM 998 O GLY A 62 3.406 -0.133 -1.860 1.00 0.24 O -ATOM 999 H GLY A 62 3.271 1.573 2.091 1.00 0.25 H -ATOM 1000 HA2 GLY A 62 4.713 -0.072 0.300 1.00 0.29 H -ATOM 1001 HA3 GLY A 62 3.225 -0.559 1.116 1.00 0.27 H -ATOM 1002 N VAL A 63 1.738 0.838 -0.817 1.00 0.22 N -ATOM 1003 CA VAL A 63 0.980 0.953 -2.095 1.00 0.21 C -ATOM 1004 C VAL A 63 1.825 1.734 -3.108 1.00 0.21 C -ATOM 1005 O VAL A 63 1.984 1.329 -4.243 1.00 0.21 O -ATOM 1006 CB VAL A 63 -0.337 1.692 -1.851 1.00 0.23 C -ATOM 1007 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 0.28 C -ATOM 1008 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 0.31 C -ATOM 1009 H VAL A 63 1.355 1.179 0.022 1.00 0.22 H -ATOM 1010 HA VAL A 63 0.774 -0.035 -2.481 1.00 0.22 H -ATOM 1011 HB VAL A 63 -0.128 2.685 -1.480 1.00 0.28 H -ATOM 1012 HG11 VAL A 63 -0.468 2.167 -3.940 1.00 0.98 H -ATOM 1013 HG12 VAL A 63 -1.483 0.814 -3.439 1.00 1.07 H -ATOM 1014 HG13 VAL A 63 -1.952 2.465 -3.034 1.00 1.13 H -ATOM 1015 HG21 VAL A 63 -1.152 -0.129 -1.058 1.00 0.96 H -ATOM 1016 HG22 VAL A 63 -0.755 1.080 0.164 1.00 1.07 H -ATOM 1017 HG23 VAL A 63 -2.188 1.281 -0.844 1.00 1.14 H -ATOM 1018 N ILE A 64 2.377 2.848 -2.700 1.00 0.23 N -ATOM 1019 CA ILE A 64 3.220 3.652 -3.630 1.00 0.25 C -ATOM 1020 C ILE A 64 4.373 2.794 -4.161 1.00 0.26 C -ATOM 1021 O ILE A 64 4.652 2.776 -5.343 1.00 0.26 O -ATOM 1022 CB ILE A 64 3.785 4.863 -2.886 1.00 0.30 C -ATOM 1023 CG1 ILE A 64 2.645 5.822 -2.537 1.00 0.32 C -ATOM 1024 CG2 ILE A 64 4.800 5.581 -3.777 1.00 0.40 C -ATOM 1025 CD1 ILE A 64 3.053 6.690 -1.345 1.00 1.06 C -ATOM 1026 H ILE A 64 2.238 3.156 -1.779 1.00 0.24 H -ATOM 1027 HA ILE A 64 2.615 3.992 -4.458 1.00 0.26 H -ATOM 1028 HB ILE A 64 4.272 4.533 -1.979 1.00 0.33 H -ATOM 1029 HG12 ILE A 64 2.434 6.454 -3.388 1.00 0.77 H -ATOM 1030 HG13 ILE A 64 1.763 5.255 -2.281 1.00 0.79 H -ATOM 1031 HG21 ILE A 64 4.393 5.692 -4.771 1.00 1.11 H -ATOM 1032 HG22 ILE A 64 5.014 6.556 -3.366 1.00 1.08 H -ATOM 1033 HG23 ILE A 64 5.712 5.003 -3.824 1.00 1.05 H -ATOM 1034 HD11 ILE A 64 3.602 6.090 -0.634 1.00 1.59 H -ATOM 1035 HD12 ILE A 64 3.677 7.503 -1.688 1.00 1.60 H -ATOM 1036 HD13 ILE A 64 2.169 7.090 -0.873 1.00 1.66 H -ATOM 1037 N GLY A 65 5.053 2.091 -3.294 1.00 0.27 N -ATOM 1038 CA GLY A 65 6.193 1.245 -3.750 1.00 0.30 C -ATOM 1039 C GLY A 65 5.711 0.257 -4.810 1.00 0.27 C -ATOM 1040 O GLY A 65 6.327 0.097 -5.845 1.00 0.29 O -ATOM 1041 H GLY A 65 4.820 2.123 -2.344 1.00 0.28 H -ATOM 1042 HA2 GLY A 65 6.963 1.877 -4.168 1.00 0.33 H -ATOM 1043 HA3 GLY A 65 6.593 0.699 -2.909 1.00 0.33 H -ATOM 1044 N THR A 66 4.615 -0.409 -4.567 1.00 0.24 N -ATOM 1045 CA THR A 66 4.107 -1.382 -5.573 1.00 0.24 C -ATOM 1046 C THR A 66 3.892 -0.660 -6.903 1.00 0.24 C -ATOM 1047 O THR A 66 4.305 -1.126 -7.947 1.00 0.28 O -ATOM 1048 CB THR A 66 2.780 -1.974 -5.091 1.00 0.25 C -ATOM 1049 OG1 THR A 66 2.935 -2.460 -3.763 1.00 0.32 O -ATOM 1050 CG2 THR A 66 2.371 -3.123 -6.014 1.00 0.28 C -ATOM 1051 H THR A 66 4.129 -0.268 -3.727 1.00 0.24 H -ATOM 1052 HA THR A 66 4.829 -2.174 -5.705 1.00 0.28 H -ATOM 1053 HB THR A 66 2.017 -1.213 -5.109 1.00 0.25 H -ATOM 1054 HG1 THR A 66 3.028 -1.704 -3.179 1.00 0.39 H -ATOM 1055 HG21 THR A 66 2.425 -2.795 -7.042 1.00 1.00 H -ATOM 1056 HG22 THR A 66 3.041 -3.958 -5.868 1.00 1.09 H -ATOM 1057 HG23 THR A 66 1.361 -3.428 -5.786 1.00 0.99 H -ATOM 1058 N ILE A 67 3.256 0.481 -6.875 1.00 0.23 N -ATOM 1059 CA ILE A 67 3.029 1.232 -8.141 1.00 0.29 C -ATOM 1060 C ILE A 67 4.377 1.506 -8.812 1.00 0.33 C -ATOM 1061 O ILE A 67 4.550 1.292 -9.996 1.00 0.40 O -ATOM 1062 CB ILE A 67 2.331 2.558 -7.830 1.00 0.33 C -ATOM 1063 CG1 ILE A 67 0.878 2.287 -7.431 1.00 0.34 C -ATOM 1064 CG2 ILE A 67 2.359 3.454 -9.069 1.00 0.40 C -ATOM 1065 CD1 ILE A 67 0.281 3.542 -6.791 1.00 0.41 C -ATOM 1066 H ILE A 67 2.936 0.844 -6.022 1.00 0.21 H -ATOM 1067 HA ILE A 67 2.409 0.645 -8.802 1.00 0.32 H -ATOM 1068 HB ILE A 67 2.843 3.053 -7.017 1.00 0.34 H -ATOM 1069 HG12 ILE A 67 0.308 2.024 -8.309 1.00 0.40 H -ATOM 1070 HG13 ILE A 67 0.845 1.473 -6.723 1.00 0.34 H -ATOM 1071 HG21 ILE A 67 2.751 2.897 -9.907 1.00 1.10 H -ATOM 1072 HG22 ILE A 67 1.356 3.785 -9.296 1.00 0.98 H -ATOM 1073 HG23 ILE A 67 2.987 4.311 -8.880 1.00 1.06 H -ATOM 1074 HD11 ILE A 67 0.898 3.850 -5.960 1.00 1.07 H -ATOM 1075 HD12 ILE A 67 0.239 4.334 -7.522 1.00 1.11 H -ATOM 1076 HD13 ILE A 67 -0.716 3.324 -6.437 1.00 1.14 H -ATOM 1077 N LEU A 68 5.335 1.973 -8.058 1.00 0.33 N -ATOM 1078 CA LEU A 68 6.676 2.257 -8.638 1.00 0.41 C -ATOM 1079 C LEU A 68 7.222 0.975 -9.283 1.00 0.44 C -ATOM 1080 O LEU A 68 7.717 0.988 -10.392 1.00 0.51 O -ATOM 1081 CB LEU A 68 7.606 2.778 -7.519 1.00 0.44 C -ATOM 1082 CG LEU A 68 8.904 1.964 -7.431 1.00 0.76 C -ATOM 1083 CD1 LEU A 68 9.801 2.296 -8.625 1.00 1.14 C -ATOM 1084 CD2 LEU A 68 9.635 2.314 -6.133 1.00 1.06 C -ATOM 1085 H LEU A 68 5.175 2.132 -7.105 1.00 0.30 H -ATOM 1086 HA LEU A 68 6.576 3.017 -9.400 1.00 0.46 H -ATOM 1087 HB2 LEU A 68 7.854 3.810 -7.718 1.00 0.70 H -ATOM 1088 HB3 LEU A 68 7.087 2.718 -6.572 1.00 0.61 H -ATOM 1089 HG LEU A 68 8.667 0.911 -7.439 1.00 0.84 H -ATOM 1090 HD11 LEU A 68 9.770 3.358 -8.814 1.00 1.55 H -ATOM 1091 HD12 LEU A 68 10.816 2.000 -8.406 1.00 1.54 H -ATOM 1092 HD13 LEU A 68 9.451 1.764 -9.497 1.00 1.72 H -ATOM 1093 HD21 LEU A 68 9.102 3.101 -5.619 1.00 1.51 H -ATOM 1094 HD22 LEU A 68 9.685 1.440 -5.500 1.00 1.52 H -ATOM 1095 HD23 LEU A 68 10.636 2.649 -6.363 1.00 1.60 H -ATOM 1096 N LEU A 69 7.140 -0.130 -8.592 1.00 0.40 N -ATOM 1097 CA LEU A 69 7.658 -1.407 -9.164 1.00 0.47 C -ATOM 1098 C LEU A 69 6.966 -1.686 -10.500 1.00 0.51 C -ATOM 1099 O LEU A 69 7.604 -2.009 -11.482 1.00 0.60 O -ATOM 1100 CB LEU A 69 7.375 -2.557 -8.193 1.00 0.47 C -ATOM 1101 CG LEU A 69 8.116 -3.813 -8.658 1.00 1.14 C -ATOM 1102 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 2.02 C -ATOM 1103 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 1.67 C -ATOM 1104 H LEU A 69 6.737 -0.118 -7.696 1.00 0.36 H -ATOM 1105 HA LEU A 69 8.725 -1.324 -9.325 1.00 0.54 H -ATOM 1106 HB2 LEU A 69 7.714 -2.284 -7.204 1.00 0.81 H -ATOM 1107 HB3 LEU A 69 6.314 -2.755 -8.168 1.00 0.89 H -ATOM 1108 HG LEU A 69 7.742 -4.112 -9.627 1.00 1.90 H -ATOM 1109 HD11 LEU A 69 9.892 -2.804 -7.997 1.00 2.49 H -ATOM 1110 HD12 LEU A 69 10.170 -4.432 -8.615 1.00 2.41 H -ATOM 1111 HD13 LEU A 69 9.836 -3.111 -9.733 1.00 2.62 H -ATOM 1112 HD21 LEU A 69 7.158 -4.628 -6.916 1.00 2.08 H -ATOM 1113 HD22 LEU A 69 7.526 -5.818 -8.167 1.00 2.26 H -ATOM 1114 HD23 LEU A 69 8.819 -5.175 -7.155 1.00 2.09 H -ATOM 1115 N ILE A 70 5.669 -1.563 -10.550 1.00 0.47 N -ATOM 1116 CA ILE A 70 4.949 -1.820 -11.829 1.00 0.57 C -ATOM 1117 C ILE A 70 5.506 -0.908 -12.918 1.00 0.65 C -ATOM 1118 O ILE A 70 5.807 -1.348 -14.009 1.00 0.77 O -ATOM 1119 CB ILE A 70 3.457 -1.543 -11.641 1.00 0.55 C -ATOM 1120 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 0.51 C -ATOM 1121 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 0.66 C -ATOM 1122 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 0.54 C -ATOM 1123 H ILE A 70 5.168 -1.298 -9.748 1.00 0.40 H -ATOM 1124 HA ILE A 70 5.091 -2.850 -12.123 1.00 0.62 H -ATOM 1125 HB ILE A 70 3.322 -0.529 -11.290 1.00 0.53 H -ATOM 1126 HG12 ILE A 70 2.791 -3.500 -11.063 1.00 0.59 H -ATOM 1127 HG13 ILE A 70 3.542 -2.576 -9.761 1.00 0.48 H -ATOM 1128 HG21 ILE A 70 3.348 -2.305 -13.643 1.00 1.39 H -ATOM 1129 HG22 ILE A 70 1.795 -2.234 -12.810 1.00 1.07 H -ATOM 1130 HG23 ILE A 70 2.541 -0.755 -13.413 1.00 1.17 H -ATOM 1131 HD11 ILE A 70 1.473 -0.956 -10.207 1.00 1.13 H -ATOM 1132 HD12 ILE A 70 0.747 -2.446 -10.807 1.00 1.23 H -ATOM 1133 HD13 ILE A 70 1.327 -2.356 -9.143 1.00 1.10 H -ATOM 1134 N SER A 71 5.656 0.357 -12.637 1.00 0.63 N -ATOM 1135 CA SER A 71 6.208 1.267 -13.675 1.00 0.76 C -ATOM 1136 C SER A 71 7.569 0.733 -14.108 1.00 0.83 C -ATOM 1137 O SER A 71 7.858 0.612 -15.282 1.00 0.95 O -ATOM 1138 CB SER A 71 6.367 2.674 -13.096 1.00 0.74 C -ATOM 1139 OG SER A 71 5.650 2.763 -11.872 1.00 1.53 O -ATOM 1140 H SER A 71 5.416 0.701 -11.751 1.00 0.55 H -ATOM 1141 HA SER A 71 5.541 1.295 -14.525 1.00 0.83 H -ATOM 1142 HB2 SER A 71 7.410 2.872 -12.912 1.00 1.04 H -ATOM 1143 HB3 SER A 71 5.984 3.398 -13.804 1.00 1.03 H -ATOM 1144 HG SER A 71 6.131 3.354 -11.290 1.00 1.76 H -ATOM 1145 N TYR A 72 8.404 0.395 -13.164 1.00 0.77 N -ATOM 1146 CA TYR A 72 9.740 -0.152 -13.517 1.00 0.87 C -ATOM 1147 C TYR A 72 9.564 -1.398 -14.390 1.00 0.94 C -ATOM 1148 O TYR A 72 10.198 -1.543 -15.415 1.00 1.07 O -ATOM 1149 CB TYR A 72 10.492 -0.525 -12.239 1.00 0.83 C -ATOM 1150 CG TYR A 72 11.736 0.323 -12.119 1.00 1.09 C -ATOM 1151 CD1 TYR A 72 11.626 1.696 -11.868 1.00 1.68 C -ATOM 1152 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 1.74 C -ATOM 1153 CE1 TYR A 72 12.780 2.482 -11.757 1.00 2.03 C -ATOM 1154 CE2 TYR A 72 14.152 0.521 -12.148 1.00 1.99 C -ATOM 1155 CZ TYR A 72 14.043 1.894 -11.896 1.00 1.84 C -ATOM 1156 OH TYR A 72 15.182 2.668 -11.786 1.00 2.25 O -ATOM 1157 H TYR A 72 8.145 0.492 -12.222 1.00 0.68 H -ATOM 1158 HA TYR A 72 10.302 0.594 -14.062 1.00 0.96 H -ATOM 1159 HB2 TYR A 72 9.854 -0.352 -11.384 1.00 0.85 H -ATOM 1160 HB3 TYR A 72 10.770 -1.567 -12.276 1.00 0.87 H -ATOM 1161 HD1 TYR A 72 10.652 2.150 -11.760 1.00 2.29 H -ATOM 1162 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 2.42 H -ATOM 1163 HE1 TYR A 72 12.696 3.541 -11.563 1.00 2.78 H -ATOM 1164 HE2 TYR A 72 15.127 0.067 -12.256 1.00 2.69 H -ATOM 1165 HH TYR A 72 15.556 2.523 -10.914 1.00 2.43 H -ATOM 1166 N GLY A 73 8.699 -2.298 -13.994 1.00 0.88 N -ATOM 1167 CA GLY A 73 8.481 -3.528 -14.806 1.00 0.98 C -ATOM 1168 C GLY A 73 8.060 -3.130 -16.219 1.00 1.10 C -ATOM 1169 O GLY A 73 8.584 -3.624 -17.197 1.00 1.24 O -ATOM 1170 H GLY A 73 8.193 -2.164 -13.166 1.00 0.78 H -ATOM 1171 HA2 GLY A 73 9.397 -4.099 -14.848 1.00 1.05 H -ATOM 1172 HA3 GLY A 73 7.703 -4.125 -14.357 1.00 0.93 H -ATOM 1173 N ILE A 74 7.121 -2.230 -16.334 1.00 1.07 N -ATOM 1174 CA ILE A 74 6.678 -1.795 -17.690 1.00 1.22 C -ATOM 1175 C ILE A 74 7.891 -1.262 -18.459 1.00 1.34 C -ATOM 1176 O ILE A 74 8.114 -1.609 -19.600 1.00 1.50 O -ATOM 1177 CB ILE A 74 5.607 -0.702 -17.560 1.00 1.20 C -ATOM 1178 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 1.37 C -ATOM 1179 CG2 ILE A 74 5.525 0.112 -18.855 1.00 1.50 C -ATOM 1180 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 1.81 C -ATOM 1181 H ILE A 74 6.712 -1.840 -15.529 1.00 0.95 H -ATOM 1182 HA ILE A 74 6.264 -2.643 -18.218 1.00 1.29 H -ATOM 1183 HB ILE A 74 5.858 -0.045 -16.740 1.00 1.42 H -ATOM 1184 HG12 ILE A 74 3.476 -0.808 -17.814 1.00 1.68 H -ATOM 1185 HG13 ILE A 74 4.266 -2.376 -17.649 1.00 1.85 H -ATOM 1186 HG21 ILE A 74 5.698 -0.538 -19.700 1.00 1.93 H -ATOM 1187 HG22 ILE A 74 4.544 0.557 -18.940 1.00 1.99 H -ATOM 1188 HG23 ILE A 74 6.273 0.890 -18.840 1.00 1.84 H -ATOM 1189 HD11 ILE A 74 4.355 -0.444 -15.355 1.00 2.15 H -ATOM 1190 HD12 ILE A 74 2.890 -1.386 -15.633 1.00 2.28 H -ATOM 1191 HD13 ILE A 74 4.421 -2.206 -15.332 1.00 2.29 H -ATOM 1192 N ARG A 75 8.676 -0.423 -17.840 1.00 1.29 N -ATOM 1193 CA ARG A 75 9.878 0.131 -18.532 1.00 1.42 C -ATOM 1194 C ARG A 75 10.776 -1.015 -18.998 1.00 1.52 C -ATOM 1195 O ARG A 75 11.228 -1.035 -20.125 1.00 1.68 O -ATOM 1196 CB ARG A 75 10.658 1.040 -17.578 1.00 1.36 C -ATOM 1197 CG ARG A 75 11.623 1.914 -18.382 1.00 1.61 C -ATOM 1198 CD ARG A 75 13.054 1.412 -18.184 1.00 1.77 C -ATOM 1199 NE ARG A 75 13.332 1.263 -16.727 1.00 1.70 N -ATOM 1200 CZ ARG A 75 14.366 0.573 -16.328 1.00 2.10 C -ATOM 1201 NH1 ARG A 75 15.557 0.864 -16.776 1.00 2.69 N -ATOM 1202 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 2.54 N -ATOM 1203 H ARG A 75 8.476 -0.160 -16.917 1.00 1.17 H -ATOM 1204 HA ARG A 75 9.559 0.701 -19.396 1.00 1.53 H -ATOM 1205 HB2 ARG A 75 9.968 1.671 -17.035 1.00 1.77 H -ATOM 1206 HB3 ARG A 75 11.219 0.435 -16.881 1.00 1.52 H -ATOM 1207 HG2 ARG A 75 11.365 1.864 -19.430 1.00 2.02 H -ATOM 1208 HG3 ARG A 75 11.551 2.936 -18.041 1.00 2.12 H -ATOM 1209 HD2 ARG A 75 13.172 0.457 -18.673 1.00 2.20 H -ATOM 1210 HD3 ARG A 75 13.748 2.123 -18.611 1.00 2.01 H -ATOM 1211 HE ARG A 75 12.738 1.680 -16.070 1.00 1.66 H -ATOM 1212 HH11 ARG A 75 15.677 1.614 -17.426 1.00 3.04 H -ATOM 1213 HH12 ARG A 75 16.349 0.335 -16.471 1.00 3.11 H -ATOM 1214 HH21 ARG A 75 13.297 -0.628 -15.136 1.00 2.81 H -ATOM 1215 HH22 ARG A 75 15.002 -0.934 -15.174 1.00 2.97 H -ATOM 1216 N ARG A 76 11.039 -1.973 -18.150 1.00 1.43 N -ATOM 1217 CA ARG A 76 11.906 -3.104 -18.580 1.00 1.55 C -ATOM 1218 C ARG A 76 11.275 -3.729 -19.819 1.00 1.67 C -ATOM 1219 O ARG A 76 11.926 -3.948 -20.820 1.00 1.83 O -ATOM 1220 CB ARG A 76 11.991 -4.145 -17.460 1.00 1.45 C -ATOM 1221 CG ARG A 76 13.012 -5.220 -17.838 1.00 1.62 C -ATOM 1222 CD ARG A 76 13.707 -5.731 -16.573 1.00 1.72 C -ATOM 1223 NE ARG A 76 14.771 -6.708 -16.944 1.00 2.17 N -ATOM 1224 CZ ARG A 76 14.588 -7.531 -17.942 1.00 2.50 C -ATOM 1225 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 2.89 N -ATOM 1226 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 3.17 N -ATOM 1227 H ARG A 76 10.666 -1.950 -17.243 1.00 1.30 H -ATOM 1228 HA ARG A 76 12.894 -2.738 -18.818 1.00 1.63 H -ATOM 1229 HB2 ARG A 76 12.299 -3.662 -16.543 1.00 1.45 H -ATOM 1230 HB3 ARG A 76 11.024 -4.602 -17.319 1.00 1.41 H -ATOM 1231 HG2 ARG A 76 12.506 -6.040 -18.328 1.00 1.82 H -ATOM 1232 HG3 ARG A 76 13.748 -4.800 -18.506 1.00 2.06 H -ATOM 1233 HD2 ARG A 76 14.152 -4.900 -16.048 1.00 2.19 H -ATOM 1234 HD3 ARG A 76 12.981 -6.214 -15.935 1.00 2.00 H -ATOM 1235 HE ARG A 76 15.611 -6.733 -16.438 1.00 2.74 H -ATOM 1236 HH11 ARG A 76 13.523 -8.841 -16.865 1.00 3.01 H -ATOM 1237 HH12 ARG A 76 13.765 -9.259 -18.529 1.00 3.47 H -ATOM 1238 HH21 ARG A 76 15.610 -6.413 -19.253 1.00 3.47 H -ATOM 1239 HH22 ARG A 76 14.946 -7.885 -19.880 1.00 3.71 H -ATOM 1240 N LEU A 77 9.997 -3.976 -19.771 1.00 1.62 N -ATOM 1241 CA LEU A 77 9.304 -4.538 -20.959 1.00 1.76 C -ATOM 1242 C LEU A 77 9.532 -3.582 -22.129 1.00 1.92 C -ATOM 1243 O LEU A 77 9.858 -3.993 -23.223 1.00 2.09 O -ATOM 1244 CB LEU A 77 7.806 -4.653 -20.673 1.00 1.69 C -ATOM 1245 CG LEU A 77 7.473 -6.083 -20.247 1.00 1.72 C -ATOM 1246 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 1.72 C -ATOM 1247 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 2.01 C -ATOM 1248 H LEU A 77 9.486 -3.761 -18.963 1.00 1.49 H -ATOM 1249 HA LEU A 77 9.710 -5.510 -21.195 1.00 1.83 H -ATOM 1250 HB2 LEU A 77 7.537 -3.969 -19.881 1.00 1.59 H -ATOM 1251 HB3 LEU A 77 7.249 -4.407 -21.565 1.00 1.80 H -ATOM 1252 HG LEU A 77 8.251 -6.454 -19.594 1.00 1.71 H -ATOM 1253 HD11 LEU A 77 5.630 -5.153 -19.660 1.00 1.99 H -ATOM 1254 HD12 LEU A 77 5.521 -6.900 -19.882 1.00 2.11 H -ATOM 1255 HD13 LEU A 77 6.311 -6.240 -18.449 1.00 1.93 H -ATOM 1256 HD21 LEU A 77 8.122 -6.669 -22.208 1.00 2.56 H -ATOM 1257 HD22 LEU A 77 7.546 -8.001 -21.207 1.00 2.23 H -ATOM 1258 HD23 LEU A 77 6.393 -6.876 -21.925 1.00 2.13 H -ATOM 1259 N ILE A 78 9.346 -2.306 -21.877 1.00 1.89 N -ATOM 1260 CA ILE A 78 9.524 -1.246 -22.916 1.00 2.07 C -ATOM 1261 C ILE A 78 8.176 -0.941 -23.564 1.00 2.17 C -ATOM 1262 O ILE A 78 7.685 -1.678 -24.395 1.00 2.50 O -ATOM 1263 CB ILE A 78 10.538 -1.679 -23.975 1.00 2.14 C -ATOM 1264 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 2.13 C -ATOM 1265 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 2.25 C -ATOM 1266 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 2.38 C -ATOM 1267 H ILE A 78 9.078 -2.040 -20.976 1.00 1.77 H -ATOM 1268 HA ILE A 78 9.885 -0.348 -22.433 1.00 2.26 H -ATOM 1269 HB ILE A 78 10.139 -2.498 -24.549 1.00 2.30 H -ATOM 1270 HG12 ILE A 78 12.595 -1.363 -23.453 1.00 2.27 H -ATOM 1271 HG13 ILE A 78 11.651 -2.190 -22.212 1.00 2.04 H -ATOM 1272 HG21 ILE A 78 10.468 0.412 -24.455 1.00 2.53 H -ATOM 1273 HG22 ILE A 78 11.895 -0.425 -25.067 1.00 2.38 H -ATOM 1274 HG23 ILE A 78 10.332 -0.656 -25.851 1.00 2.56 H -ATOM 1275 HD11 ILE A 78 11.693 -3.722 -24.683 1.00 2.64 H -ATOM 1276 HD12 ILE A 78 13.331 -3.392 -24.117 1.00 2.66 H -ATOM 1277 HD13 ILE A 78 12.181 -4.213 -23.061 1.00 2.72 H -ATOM 1278 N LYS A 79 7.572 0.147 -23.170 1.00 2.25 N -ATOM 1279 CA LYS A 79 6.247 0.522 -23.735 1.00 2.60 C -ATOM 1280 C LYS A 79 6.445 1.288 -25.045 1.00 2.97 C -ATOM 1281 O LYS A 79 7.143 2.281 -25.094 1.00 3.27 O -ATOM 1282 CB LYS A 79 5.505 1.407 -22.730 1.00 2.80 C -ATOM 1283 CG LYS A 79 3.998 1.172 -22.853 1.00 3.38 C -ATOM 1284 CD LYS A 79 3.248 2.201 -22.003 1.00 3.94 C -ATOM 1285 CE LYS A 79 2.282 2.990 -22.891 1.00 4.56 C -ATOM 1286 NZ LYS A 79 1.757 4.161 -22.134 1.00 5.22 N -ATOM 1287 H LYS A 79 7.993 0.717 -22.493 1.00 2.32 H -ATOM 1288 HA LYS A 79 5.669 -0.371 -23.923 1.00 2.72 H -ATOM 1289 HB2 LYS A 79 5.829 1.162 -21.726 1.00 2.65 H -ATOM 1290 HB3 LYS A 79 5.723 2.445 -22.934 1.00 3.01 H -ATOM 1291 HG2 LYS A 79 3.702 1.271 -23.886 1.00 3.67 H -ATOM 1292 HG3 LYS A 79 3.760 0.178 -22.503 1.00 3.67 H -ATOM 1293 HD2 LYS A 79 2.693 1.693 -21.228 1.00 4.28 H -ATOM 1294 HD3 LYS A 79 3.956 2.880 -21.553 1.00 4.08 H -ATOM 1295 HE2 LYS A 79 2.803 3.334 -23.771 1.00 4.79 H -ATOM 1296 HE3 LYS A 79 1.461 2.353 -23.183 1.00 4.75 H -ATOM 1297 HZ1 LYS A 79 2.549 4.760 -21.827 1.00 5.33 H -ATOM 1298 HZ2 LYS A 79 1.124 4.714 -22.746 1.00 5.57 H -ATOM 1299 HZ3 LYS A 79 1.230 3.827 -21.301 1.00 5.57 H -ATOM 1300 N LYS A 80 5.839 0.828 -26.107 1.00 3.27 N -ATOM 1301 CA LYS A 80 5.992 1.524 -27.419 1.00 3.83 C -ATOM 1302 C LYS A 80 7.450 1.434 -27.874 1.00 4.00 C -ATOM 1303 O LYS A 80 7.894 2.347 -28.552 1.00 4.36 O -ATOM 1304 CB LYS A 80 5.593 3.000 -27.279 1.00 4.43 C -ATOM 1305 CG LYS A 80 4.118 3.112 -26.883 1.00 5.03 C -ATOM 1306 CD LYS A 80 3.235 2.626 -28.036 1.00 5.77 C -ATOM 1307 CE LYS A 80 1.930 2.054 -27.477 1.00 6.68 C -ATOM 1308 NZ LYS A 80 1.045 3.172 -27.041 1.00 7.38 N -ATOM 1309 OXT LYS A 80 8.096 0.455 -27.539 1.00 4.28 O -ATOM 1310 H LYS A 80 5.287 0.019 -26.042 1.00 3.31 H -ATOM 1311 HA LYS A 80 5.359 1.049 -28.154 1.00 4.17 H -ATOM 1312 HB2 LYS A 80 6.206 3.467 -26.523 1.00 4.57 H -ATOM 1313 HB3 LYS A 80 5.747 3.502 -28.223 1.00 4.74 H -ATOM 1314 HG2 LYS A 80 3.930 2.510 -26.006 1.00 5.27 H -ATOM 1315 HG3 LYS A 80 3.882 4.143 -26.666 1.00 5.11 H -ATOM 1316 HD2 LYS A 80 3.014 3.455 -28.693 1.00 5.83 H -ATOM 1317 HD3 LYS A 80 3.754 1.858 -28.589 1.00 5.97 H -ATOM 1318 HE2 LYS A 80 1.432 1.480 -28.244 1.00 6.97 H -ATOM 1319 HE3 LYS A 80 2.149 1.417 -26.633 1.00 6.87 H -ATOM 1320 HZ1 LYS A 80 1.552 4.074 -27.134 1.00 7.46 H -ATOM 1321 HZ2 LYS A 80 0.192 3.188 -27.637 1.00 7.83 H -ATOM 1322 HZ3 LYS A 80 0.772 3.030 -26.048 1.00 7.60 H +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 18.74 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 18.11 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 17.30 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 17.26 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 18.42 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 18.58 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 18.59 C +ATOM 8 H1 VAL A 1 13.066 16.970 1.016 1.00 18.63 H +ATOM 9 H2 VAL A 1 12.320 16.071 -0.218 1.00 19.07 H +ATOM 10 H3 VAL A 1 11.499 17.370 0.499 1.00 19.08 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 18.15 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 18.56 H +ATOM 13 HG11 VAL A 1 14.041 15.107 1.752 1.00 18.56 H +ATOM 14 HG12 VAL A 1 14.050 13.354 1.557 1.00 18.83 H +ATOM 15 HG13 VAL A 1 13.820 14.397 0.153 1.00 18.58 H +ATOM 16 HG21 VAL A 1 10.757 13.506 2.932 1.00 18.63 H +ATOM 17 HG22 VAL A 1 11.938 12.323 2.372 1.00 18.86 H +ATOM 18 HG23 VAL A 1 12.436 13.621 3.457 1.00 18.54 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 16.78 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 16.11 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 15.69 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 15.68 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 16.10 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 15.49 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 15.09 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 15.39 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 14.56 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 16.93 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 16.10 H +ATOM 30 HB2 GLN A 2 12.118 19.447 4.404 1.00 16.14 H +ATOM 31 HB3 GLN A 2 10.444 19.246 4.920 1.00 16.63 H +ATOM 32 HG2 GLN A 2 11.997 20.559 6.499 1.00 15.60 H +ATOM 33 HG3 GLN A 2 11.035 19.270 7.221 1.00 15.40 H +ATOM 34 HE21 GLN A 2 12.192 17.748 8.419 1.00 14.40 H +ATOM 35 HE22 GLN A 2 13.868 17.501 8.313 1.00 14.42 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 15.49 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 15.26 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 14.77 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 14.94 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 15.58 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 15.97 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 16.71 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 16.05 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 15.59 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 15.38 H +ATOM 46 HB2 LEU A 3 11.006 14.353 7.407 1.00 15.74 H +ATOM 47 HB3 LEU A 3 9.798 14.615 8.666 1.00 15.55 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 15.84 H +ATOM 49 HD11 LEU A 3 11.219 12.297 6.318 1.00 16.93 H +ATOM 50 HD12 LEU A 3 9.924 11.099 6.301 1.00 16.80 H +ATOM 51 HD13 LEU A 3 9.724 12.628 5.443 1.00 17.03 H +ATOM 52 HD21 LEU A 3 9.809 12.598 9.699 1.00 16.08 H +ATOM 53 HD22 LEU A 3 9.612 11.061 8.856 1.00 15.96 H +ATOM 54 HD23 LEU A 3 11.139 11.939 8.745 1.00 16.30 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 14.32 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 14.03 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 13.34 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 13.29 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 14.31 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 14.30 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 14.29 H +ATOM 62 HB1 ALA A 4 5.481 16.332 7.735 1.00 14.32 H +ATOM 63 HB2 ALA A 4 4.726 16.690 9.287 1.00 14.34 H +ATOM 64 HB3 ALA A 4 5.478 17.983 8.353 1.00 14.64 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 12.98 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 12.48 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 11.62 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 11.76 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 12.81 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 13.36 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 13.57 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 13.93 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 14.23 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 14.47 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 13.15 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 12.71 H +ATOM 77 HB2 HIS A 5 6.718 12.902 11.541 1.00 13.05 H +ATOM 78 HB3 HIS A 5 6.612 12.797 13.298 1.00 12.61 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 13.40 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 14.07 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 14.63 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 10.90 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 10.21 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 9.43 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 9.32 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 10.37 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 10.53 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 10.58 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 10.88 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 10.97 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 11.15 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 10.94 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 10.38 H +ATOM 94 HB2 HIS A 6 10.510 15.350 14.316 1.00 10.69 H +ATOM 95 HB3 HIS A 6 11.169 14.900 15.889 1.00 10.30 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 10.50 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 11.09 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 11.25 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 9.11 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 8.55 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 7.46 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 7.39 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 8.98 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 9.76 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 10.29 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 10.19 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 11.19 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 11.10 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 11.57 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 9.39 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 8.86 H +ATOM 112 HB2 PHE A 7 7.868 15.358 18.619 1.00 9.18 H +ATOM 113 HB3 PHE A 7 7.640 14.399 20.081 1.00 8.77 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 10.16 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 9.98 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 11.72 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 11.57 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 12.35 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 6.86 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 6.01 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 5.07 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 5.28 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 6.54 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 7.08 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 7.15 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 6.02 H +ATOM 127 HB2 SER A 8 5.243 10.099 20.834 1.00 6.79 H +ATOM 128 HB3 SER A 8 5.897 11.728 20.968 1.00 6.61 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 7.42 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 4.41 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 3.84 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 2.84 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 3.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 4.55 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 5.41 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 6.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 6.49 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 6.28 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 4.61 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 4.12 H +ATOM 141 HB2 GLU A 9 6.228 5.717 18.385 1.00 4.86 H +ATOM 142 HB3 GLU A 9 6.813 5.694 16.722 1.00 4.60 H +ATOM 143 HG2 GLU A 9 8.680 7.302 17.746 1.00 5.70 H +ATOM 144 HG3 GLU A 9 8.253 6.447 19.228 1.00 5.72 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 2.18 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 1.51 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 1.23 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 1.13 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 1.87 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 2.49 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 2.65 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 1.77 H +ATOM 153 HB2 PRO A 10 2.338 9.126 13.888 1.00 2.10 H +ATOM 154 HB3 PRO A 10 1.972 10.228 15.221 1.00 2.10 H +ATOM 155 HG2 PRO A 10 4.405 10.080 13.670 1.00 3.08 H +ATOM 156 HG3 PRO A 10 4.020 11.198 14.984 1.00 2.65 H +ATOM 157 HD2 PRO A 10 5.850 8.981 15.049 1.00 3.25 H +ATOM 158 HD3 PRO A 10 5.426 10.077 16.380 1.00 2.87 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 1.29 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 1.13 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 1.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.97 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 1.32 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 1.94 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 2.47 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 2.89 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 3.01 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 1.55 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 1.09 H +ATOM 170 HB2 GLU A 11 -0.348 4.785 16.531 1.00 1.69 H +ATOM 171 HB3 GLU A 11 -0.024 3.275 15.679 1.00 1.69 H +ATOM 172 HG2 GLU A 11 0.828 2.614 17.688 1.00 2.39 H +ATOM 173 HG3 GLU A 11 2.251 3.513 17.160 1.00 2.45 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 0.99 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 0.91 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 0.80 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 0.74 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 1.03 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 1.05 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 1.28 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 1.48 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 1.08 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 0.89 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 1.22 H +ATOM 185 HG12 ILE A 12 -3.166 8.653 11.564 1.00 1.37 H +ATOM 186 HG13 ILE A 12 -2.190 7.468 10.695 1.00 1.18 H +ATOM 187 HG21 ILE A 12 -0.262 8.757 13.707 1.00 1.67 H +ATOM 188 HG22 ILE A 12 -0.514 9.090 11.993 1.00 1.67 H +ATOM 189 HG23 ILE A 12 -1.677 9.673 13.185 1.00 1.72 H +ATOM 190 HD11 ILE A 12 -3.597 5.942 12.550 1.00 1.86 H +ATOM 191 HD12 ILE A 12 -4.780 7.127 11.993 1.00 2.05 H +ATOM 192 HD13 ILE A 12 -3.965 6.080 10.831 1.00 1.87 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 0.81 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 0.76 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 0.68 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 0.62 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 0.86 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 1.35 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 1.19 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 0.89 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 0.74 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 1.13 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 1.84 H +ATOM 204 HG21 THR A 13 1.589 10.024 12.390 1.00 1.65 H +ATOM 205 HG22 THR A 13 3.163 10.814 12.479 1.00 1.61 H +ATOM 206 HG23 THR A 13 2.254 10.827 10.968 1.00 1.72 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 0.72 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 0.69 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 0.58 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 0.50 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 0.82 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 0.88 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 0.87 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 1.02 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 0.80 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 0.67 H +ATOM 217 HB2 LEU A 14 4.844 4.522 12.553 1.00 1.22 H +ATOM 218 HB3 LEU A 14 3.742 3.198 12.178 1.00 0.83 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 1.30 H +ATOM 220 HD11 LEU A 14 5.565 2.209 13.303 1.00 1.27 H +ATOM 221 HD12 LEU A 14 5.611 0.976 12.042 1.00 1.28 H +ATOM 222 HD13 LEU A 14 7.081 1.847 12.477 1.00 1.34 H +ATOM 223 HD21 LEU A 14 4.341 1.893 10.050 1.00 1.44 H +ATOM 224 HD22 LEU A 14 5.379 3.024 9.183 1.00 1.64 H +ATOM 225 HD23 LEU A 14 6.043 1.509 9.793 1.00 1.43 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 0.62 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 0.57 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 0.45 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 0.38 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 0.69 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 0.91 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 0.76 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 1.10 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 0.71 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 0.58 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 0.63 H +ATOM 237 HG12 ILE A 15 -0.165 0.830 11.538 1.00 0.92 H +ATOM 238 HG13 ILE A 15 0.636 2.256 12.200 1.00 0.98 H +ATOM 239 HG21 ILE A 15 -1.137 0.950 9.248 1.00 1.24 H +ATOM 240 HG22 ILE A 15 -2.422 1.676 10.214 1.00 1.27 H +ATOM 241 HG23 ILE A 15 -1.853 2.485 8.754 1.00 1.35 H +ATOM 242 HD11 ILE A 15 -2.373 2.041 12.129 1.00 1.66 H +ATOM 243 HD12 ILE A 15 -1.436 1.369 13.463 1.00 1.56 H +ATOM 244 HD13 ILE A 15 -1.372 3.098 13.125 1.00 1.37 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 0.44 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 0.36 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 0.28 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 0.25 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 0.39 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 1.21 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 1.18 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 1.58 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 0.50 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 0.38 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 0.83 H +ATOM 256 HG12 ILE A 16 -2.240 6.820 7.256 1.00 1.92 H +ATOM 257 HG13 ILE A 16 -1.500 6.481 8.821 1.00 1.86 H +ATOM 258 HG21 ILE A 16 0.152 6.928 5.112 1.00 1.76 H +ATOM 259 HG22 ILE A 16 -1.022 8.082 5.744 1.00 1.82 H +ATOM 260 HG23 ILE A 16 0.704 8.377 5.952 1.00 1.61 H +ATOM 261 HD11 ILE A 16 -1.346 9.181 7.458 1.00 2.05 H +ATOM 262 HD12 ILE A 16 -2.579 8.761 8.649 1.00 2.07 H +ATOM 263 HD13 ILE A 16 -0.877 8.789 9.112 1.00 2.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 0.31 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 0.32 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 0.30 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 0.30 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 0.41 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 0.80 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 1.52 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 1.66 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 1.97 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 2.09 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 1.95 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 0.36 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 0.32 H +ATOM 277 HB2 PHE A 17 4.737 5.017 7.757 1.00 0.65 H +ATOM 278 HB3 PHE A 17 5.792 4.796 6.363 1.00 0.64 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 2.18 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 2.34 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 2.73 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 2.89 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 2.41 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 0.31 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 0.32 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 0.26 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 0.26 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 0.34 H +ATOM 289 HA2 GLY A 18 4.506 1.112 5.208 1.00 0.36 H +ATOM 290 HA3 GLY A 18 3.198 0.670 6.309 1.00 0.35 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 0.23 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 0.22 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 0.21 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 0.22 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 0.24 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 0.28 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 0.28 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 0.24 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 0.24 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 0.25 H +ATOM 301 HG11 VAL A 19 -1.442 1.985 1.761 1.00 1.07 H +ATOM 302 HG12 VAL A 19 -2.756 1.752 2.914 1.00 1.05 H +ATOM 303 HG13 VAL A 19 -2.283 3.383 2.434 1.00 1.05 H +ATOM 304 HG21 VAL A 19 -0.732 1.187 5.532 1.00 1.03 H +ATOM 305 HG22 VAL A 19 -1.945 2.458 5.681 1.00 1.10 H +ATOM 306 HG23 VAL A 19 -2.277 1.034 4.696 1.00 1.03 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 0.22 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 0.25 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 0.27 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 0.28 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 0.29 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 0.36 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 1.07 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 1.70 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 0.22 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 0.26 H +ATOM 317 HB2 MET A 20 3.355 5.424 2.699 1.00 0.33 H +ATOM 318 HB3 MET A 20 3.435 6.068 1.058 1.00 0.34 H +ATOM 319 HG2 MET A 20 0.835 6.461 1.463 1.00 0.70 H +ATOM 320 HG3 MET A 20 1.337 6.469 3.153 1.00 0.72 H +ATOM 321 HE1 MET A 20 -0.050 8.308 1.356 1.00 2.15 H +ATOM 322 HE2 MET A 20 0.362 9.709 2.341 1.00 2.21 H +ATOM 323 HE3 MET A 20 0.802 9.681 0.636 1.00 2.23 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 0.28 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 0.32 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 0.30 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 0.30 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 0.37 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 0.29 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 0.34 H +ATOM 331 HB1 ALA A 21 5.474 1.551 3.017 1.00 1.10 H +ATOM 332 HB2 ALA A 21 6.213 0.395 1.905 1.00 1.10 H +ATOM 333 HB3 ALA A 21 6.963 1.968 2.173 1.00 1.06 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 0.28 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 0.27 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 0.23 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 0.23 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 0.28 H +ATOM 339 HA2 GLY A 22 3.753 -1.610 -0.492 1.00 0.30 H +ATOM 340 HA3 GLY A 22 2.148 -1.252 0.152 1.00 0.28 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 0.21 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 0.19 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 0.20 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 0.19 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 0.22 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 0.28 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 0.27 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 0.21 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 0.19 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 0.26 H +ATOM 351 HG11 VAL A 23 0.275 2.913 -4.723 1.00 1.04 H +ATOM 352 HG12 VAL A 23 -0.217 4.334 -3.801 1.00 1.03 H +ATOM 353 HG13 VAL A 23 1.481 4.096 -4.217 1.00 1.04 H +ATOM 354 HG21 VAL A 23 -0.764 1.461 -2.019 1.00 1.09 H +ATOM 355 HG22 VAL A 23 -0.588 2.873 -0.977 1.00 1.03 H +ATOM 356 HG23 VAL A 23 -1.362 3.031 -2.553 1.00 1.03 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 0.23 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 0.27 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 0.27 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 0.28 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 0.33 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 0.67 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 0.75 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 1.20 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 0.25 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 0.28 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 0.41 H +ATOM 368 HG12 ILE A 24 4.509 4.370 -2.029 1.00 1.29 H +ATOM 369 HG13 ILE A 24 6.149 4.854 -1.595 1.00 1.22 H +ATOM 370 HG21 ILE A 24 7.077 3.642 -4.886 1.00 1.13 H +ATOM 371 HG22 ILE A 24 7.715 4.537 -3.507 1.00 1.25 H +ATOM 372 HG23 ILE A 24 8.052 2.814 -3.671 1.00 1.43 H +ATOM 373 HD11 ILE A 24 5.255 5.230 -4.428 1.00 1.91 H +ATOM 374 HD12 ILE A 24 4.680 6.365 -3.206 1.00 1.60 H +ATOM 375 HD13 ILE A 24 6.411 6.171 -3.484 1.00 1.67 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 0.29 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 0.33 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 0.30 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 0.33 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 0.30 H +ATOM 381 HA2 GLY A 25 7.208 -0.780 -4.746 1.00 0.38 H +ATOM 382 HA3 GLY A 25 6.145 -1.716 -3.692 1.00 0.37 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 0.25 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 0.25 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 0.26 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 0.32 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 0.24 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 0.34 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 0.31 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 0.24 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 0.31 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 0.22 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 0.40 H +ATOM 394 HG21 THR A 26 1.315 -1.690 -8.351 1.00 1.10 H +ATOM 395 HG22 THR A 26 0.581 -2.963 -7.376 1.00 0.98 H +ATOM 396 HG23 THR A 26 -0.119 -1.345 -7.384 1.00 1.03 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 0.24 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 0.33 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 0.39 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 0.47 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 0.37 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 0.39 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 0.47 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 0.49 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 0.22 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 0.38 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 0.37 H +ATOM 408 HG12 ILE A 27 1.872 3.224 -8.418 1.00 0.46 H +ATOM 409 HG13 ILE A 27 2.295 2.707 -6.786 1.00 0.38 H +ATOM 410 HG21 ILE A 27 4.531 3.303 -10.146 1.00 1.04 H +ATOM 411 HG22 ILE A 27 3.742 4.645 -9.316 1.00 1.19 H +ATOM 412 HG23 ILE A 27 5.416 4.237 -8.940 1.00 1.15 H +ATOM 413 HD11 ILE A 27 3.657 5.012 -6.827 1.00 1.14 H +ATOM 414 HD12 ILE A 27 2.410 5.429 -8.002 1.00 1.07 H +ATOM 415 HD13 ILE A 27 1.956 4.947 -6.367 1.00 1.21 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 0.39 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 0.49 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 0.53 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 0.62 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 0.53 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 0.59 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 0.68 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 0.65 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 0.34 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 0.55 H +ATOM 426 HB2 LEU A 28 9.271 0.916 -7.976 1.00 0.60 H +ATOM 427 HB3 LEU A 28 7.975 0.190 -7.035 1.00 0.54 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 0.61 H +ATOM 429 HD11 LEU A 28 9.660 -0.862 -10.178 1.00 1.18 H +ATOM 430 HD12 LEU A 28 10.972 -0.508 -9.054 1.00 1.37 H +ATOM 431 HD13 LEU A 28 10.567 -2.181 -9.439 1.00 1.06 H +ATOM 432 HD21 LEU A 28 9.859 -0.724 -6.142 1.00 1.31 H +ATOM 433 HD22 LEU A 28 9.482 -2.432 -6.370 1.00 1.06 H +ATOM 434 HD23 LEU A 28 10.962 -1.756 -7.050 1.00 1.25 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 0.49 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 0.57 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 0.60 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 0.71 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 0.56 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 1.24 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 1.76 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 1.92 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 0.44 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 0.65 H +ATOM 445 HB2 LEU A 29 5.866 -4.145 -8.630 1.00 0.97 H +ATOM 446 HB3 LEU A 29 4.486 -3.598 -9.585 1.00 0.94 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 1.94 H +ATOM 448 HD11 LEU A 29 7.605 -5.429 -10.191 1.00 2.23 H +ATOM 449 HD12 LEU A 29 6.736 -6.484 -9.077 1.00 2.17 H +ATOM 450 HD13 LEU A 29 6.862 -6.915 -10.783 1.00 2.19 H +ATOM 451 HD21 LEU A 29 3.954 -5.820 -8.931 1.00 2.33 H +ATOM 452 HD22 LEU A 29 3.459 -6.056 -10.607 1.00 2.54 H +ATOM 453 HD23 LEU A 29 4.558 -7.204 -9.842 1.00 2.27 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 0.55 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 0.65 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 0.75 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 0.87 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 0.63 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 0.58 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 0.75 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 0.66 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 0.47 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 0.70 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 0.62 H +ATOM 465 HG12 ILE A 30 1.291 -1.734 -12.162 1.00 0.65 H +ATOM 466 HG13 ILE A 30 2.403 -1.595 -10.800 1.00 0.53 H +ATOM 467 HG21 ILE A 30 2.917 0.172 -14.559 1.00 1.21 H +ATOM 468 HG22 ILE A 30 1.405 -0.548 -14.005 1.00 1.08 H +ATOM 469 HG23 ILE A 30 1.794 1.121 -13.584 1.00 1.31 H +ATOM 470 HD11 ILE A 30 1.321 0.984 -11.174 1.00 0.98 H +ATOM 471 HD12 ILE A 30 -0.038 -0.132 -11.300 1.00 1.16 H +ATOM 472 HD13 ILE A 30 0.973 -0.135 -9.856 1.00 1.31 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 0.73 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 0.87 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 0.94 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 1.07 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 0.86 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 1.29 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 0.65 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 0.95 H +ATOM 481 HB2 SER A 31 8.229 1.269 -12.553 1.00 1.00 H +ATOM 482 HB3 SER A 31 8.389 2.364 -13.923 1.00 1.28 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 1.40 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 0.89 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 1.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 1.05 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 1.18 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 0.96 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 1.27 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 1.62 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 2.13 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 1.95 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 2.53 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 2.15 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 2.64 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 0.80 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 1.09 H +ATOM 498 HB2 TYR A 32 8.905 -2.978 -12.755 1.00 0.96 H +ATOM 499 HB3 TYR A 32 9.236 -4.144 -14.037 1.00 1.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 2.19 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 2.77 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 2.53 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 3.38 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 2.82 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.97 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 1.05 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 1.16 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 1.29 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.88 H +ATOM 510 HA2 GLY A 33 6.606 -4.793 -16.846 1.00 1.11 H +ATOM 511 HA3 GLY A 33 5.165 -4.072 -16.126 1.00 0.99 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 1.14 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 1.29 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 1.41 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 1.55 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 1.28 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 1.74 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 1.77 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 2.19 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 1.05 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 1.35 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 1.42 H +ATOM 523 HG12 ILE A 34 3.899 2.292 -18.745 1.00 2.09 H +ATOM 524 HG13 ILE A 34 4.427 1.254 -20.069 1.00 2.18 H +ATOM 525 HG21 ILE A 34 7.171 1.113 -17.556 1.00 2.04 H +ATOM 526 HG22 ILE A 34 6.717 1.744 -19.137 1.00 2.31 H +ATOM 527 HG23 ILE A 34 6.118 2.520 -17.671 1.00 2.25 H +ATOM 528 HD11 ILE A 34 2.915 -0.321 -18.200 1.00 2.56 H +ATOM 529 HD12 ILE A 34 1.983 1.114 -18.628 1.00 2.60 H +ATOM 530 HD13 ILE A 34 2.553 0.024 -19.892 1.00 2.54 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 1.37 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 1.51 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 1.58 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 1.73 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 1.46 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 1.73 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 2.03 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 2.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 2.45 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 2.76 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 3.14 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 1.27 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 1.61 H +ATOM 544 HB2 ARG A 35 10.316 -1.370 -17.915 1.00 1.77 H +ATOM 545 HB3 ARG A 35 11.321 -0.591 -19.138 1.00 1.58 H +ATOM 546 HG2 ARG A 35 9.715 1.487 -18.346 1.00 2.15 H +ATOM 547 HG3 ARG A 35 9.907 0.593 -16.837 1.00 2.19 H +ATOM 548 HD2 ARG A 35 12.160 1.549 -18.628 1.00 2.45 H +ATOM 549 HD3 ARG A 35 11.701 2.257 -17.081 1.00 2.48 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 2.02 H +ATOM 551 HH11 ARG A 35 13.904 1.948 -15.585 1.00 2.90 H +ATOM 552 HH12 ARG A 35 15.459 1.481 -16.185 1.00 3.21 H +ATOM 553 HH21 ARG A 35 14.201 -0.940 -18.325 1.00 3.41 H +ATOM 554 HH22 ARG A 35 15.628 -0.153 -17.738 1.00 3.66 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 1.50 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 1.59 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 1.69 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 1.84 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 1.50 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 1.77 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 2.23 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 2.70 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 3.07 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 3.56 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 3.58 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 1.38 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 1.68 H +ATOM 568 HB2 ARG A 36 9.201 -5.395 -18.881 1.00 1.51 H +ATOM 569 HB3 ARG A 36 7.629 -5.391 -19.682 1.00 1.60 H +ATOM 570 HG2 ARG A 36 9.746 -6.515 -21.364 1.00 2.13 H +ATOM 571 HG3 ARG A 36 9.520 -7.413 -19.861 1.00 1.96 H +ATOM 572 HD2 ARG A 36 7.206 -6.617 -21.637 1.00 2.56 H +ATOM 573 HD3 ARG A 36 8.059 -8.148 -21.823 1.00 2.57 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 3.18 H +ATOM 575 HH11 ARG A 36 8.773 -9.650 -20.131 1.00 3.68 H +ATOM 576 HH12 ARG A 36 8.959 -9.837 -18.419 1.00 4.16 H +ATOM 577 HH21 ARG A 36 6.506 -7.516 -17.631 1.00 3.74 H +ATOM 578 HH22 ARG A 36 7.675 -8.628 -17.003 1.00 4.16 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 1.64 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 1.75 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 1.91 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 2.05 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 1.69 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 2.11 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 2.66 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 2.38 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 1.52 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 1.80 H +ATOM 589 HB2 LEU A 37 4.833 -2.685 -21.344 1.00 1.91 H +ATOM 590 HB3 LEU A 37 4.580 -1.987 -22.944 1.00 1.94 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 2.63 H +ATOM 592 HD11 LEU A 37 2.557 -2.551 -21.346 1.00 2.82 H +ATOM 593 HD12 LEU A 37 1.525 -3.666 -22.241 1.00 3.15 H +ATOM 594 HD13 LEU A 37 2.474 -4.248 -20.873 1.00 3.10 H +ATOM 595 HD21 LEU A 37 3.385 -2.769 -24.471 1.00 2.77 H +ATOM 596 HD22 LEU A 37 3.647 -4.497 -24.707 1.00 2.87 H +ATOM 597 HD23 LEU A 37 2.081 -3.911 -24.147 1.00 2.45 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 1.90 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 2.06 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 2.14 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 2.20 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 2.05 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 1.98 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 2.03 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 2.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 1.79 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 2.15 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 2.14 H +ATOM 609 HG12 ILE A 38 7.496 0.763 -21.853 1.00 2.00 H +ATOM 610 HG13 ILE A 38 8.980 -0.053 -22.340 1.00 2.02 H +ATOM 611 HG21 ILE A 38 6.040 1.194 -24.978 1.00 2.39 H +ATOM 612 HG22 ILE A 38 5.890 1.051 -23.227 1.00 2.15 H +ATOM 613 HG23 ILE A 38 6.553 2.522 -23.938 1.00 2.23 H +ATOM 614 HD11 ILE A 38 9.566 2.483 -23.100 1.00 2.36 H +ATOM 615 HD12 ILE A 38 8.511 2.809 -21.723 1.00 2.19 H +ATOM 616 HD13 ILE A 38 9.966 1.835 -21.509 1.00 2.20 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 2.35 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 2.45 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 2.85 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 3.21 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 2.30 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 2.60 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 2.94 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 3.56 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 3.91 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 2.55 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 2.58 H +ATOM 628 HB2 LYS A 39 11.275 -2.020 -23.017 1.00 2.10 H +ATOM 629 HB3 LYS A 39 12.152 -2.813 -24.327 1.00 2.50 H +ATOM 630 HG2 LYS A 39 13.918 -2.539 -22.887 1.00 2.77 H +ATOM 631 HG3 LYS A 39 13.980 -0.952 -23.654 1.00 3.02 H +ATOM 632 HD2 LYS A 39 12.042 -0.791 -21.583 1.00 3.26 H +ATOM 633 HD3 LYS A 39 13.464 -1.583 -20.900 1.00 3.12 H +ATOM 634 HE2 LYS A 39 14.020 0.753 -22.635 1.00 3.96 H +ATOM 635 HE3 LYS A 39 13.214 1.114 -21.109 1.00 3.92 H +ATOM 636 HZ1 LYS A 39 15.127 -0.677 -20.410 1.00 4.13 H +ATOM 637 HZ2 LYS A 39 15.907 0.253 -21.594 1.00 4.14 H +ATOM 638 HZ3 LYS A 39 15.239 1.008 -20.226 1.00 4.20 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 3.09 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 3.63 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 4.10 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 4.56 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 3.99 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 4.58 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 5.25 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 6.09 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 6.53 N +ATOM 648 OXT LYS A 40 12.929 0.132 -28.372 1.00 4.44 O +ATOM 649 H LYS A 40 13.719 -1.795 -25.860 1.00 3.09 H +ATOM 650 HA LYS A 40 14.134 -2.672 -28.002 1.00 3.93 H +ATOM 651 HB2 LYS A 40 11.829 -3.770 -27.438 1.00 4.02 H +ATOM 652 HB3 LYS A 40 11.182 -2.586 -28.575 1.00 4.35 H +ATOM 653 HG2 LYS A 40 13.343 -3.542 -29.961 1.00 5.09 H +ATOM 654 HG3 LYS A 40 12.820 -4.984 -29.090 1.00 4.47 H +ATOM 655 HD2 LYS A 40 10.689 -4.962 -30.080 1.00 5.25 H +ATOM 656 HD3 LYS A 40 10.815 -3.263 -30.534 1.00 5.52 H +ATOM 657 HE2 LYS A 40 11.085 -4.746 -32.500 1.00 6.55 H +ATOM 658 HE3 LYS A 40 12.549 -3.814 -32.186 1.00 6.28 H +ATOM 659 HZ1 LYS A 40 13.158 -5.879 -30.755 1.00 6.71 H +ATOM 660 HZ2 LYS A 40 12.038 -6.673 -31.756 1.00 6.79 H +ATOM 661 HZ3 LYS A 40 13.392 -5.912 -32.438 1.00 6.75 H +ATOM 662 N VAL A 41 -9.556 1.761 2.979 1.00 19.64 N +ATOM 663 CA VAL A 41 -8.757 2.687 3.831 1.00 19.45 C +ATOM 664 C VAL A 41 -9.562 3.056 5.079 1.00 18.79 C +ATOM 665 O VAL A 41 -9.844 4.211 5.328 1.00 19.02 O +ATOM 666 CB VAL A 41 -8.433 3.956 3.040 1.00 19.77 C +ATOM 667 CG1 VAL A 41 -9.726 4.722 2.754 1.00 20.22 C +ATOM 668 CG2 VAL A 41 -7.490 4.839 3.859 1.00 19.99 C +ATOM 669 H1 VAL A 41 -10.475 1.580 3.430 1.00 19.83 H +ATOM 670 H2 VAL A 41 -9.706 2.196 2.045 1.00 19.55 H +ATOM 671 H3 VAL A 41 -9.044 0.864 2.866 1.00 19.78 H +ATOM 672 HA VAL A 41 -7.838 2.202 4.125 1.00 19.68 H +ATOM 673 HB VAL A 41 -7.961 3.688 2.106 1.00 19.65 H +ATOM 674 HG11 VAL A 41 -10.572 4.067 2.898 1.00 20.58 H +ATOM 675 HG12 VAL A 41 -9.803 5.562 3.430 1.00 20.10 H +ATOM 676 HG13 VAL A 41 -9.716 5.079 1.736 1.00 20.40 H +ATOM 677 HG21 VAL A 41 -6.684 4.237 4.253 1.00 20.15 H +ATOM 678 HG22 VAL A 41 -7.083 5.615 3.227 1.00 19.89 H +ATOM 679 HG23 VAL A 41 -8.035 5.289 4.676 1.00 20.21 H +ATOM 680 N GLN A 42 -9.935 2.083 5.867 1.00 18.10 N +ATOM 681 CA GLN A 42 -10.721 2.382 7.098 1.00 17.56 C +ATOM 682 C GLN A 42 -9.862 3.206 8.060 1.00 16.86 C +ATOM 683 O GLN A 42 -8.662 3.035 8.136 1.00 16.59 O +ATOM 684 CB GLN A 42 -11.134 1.072 7.776 1.00 17.30 C +ATOM 685 CG GLN A 42 -12.210 0.370 6.942 1.00 17.01 C +ATOM 686 CD GLN A 42 -13.301 1.373 6.561 1.00 16.75 C +ATOM 687 OE1 GLN A 42 -13.464 1.699 5.402 1.00 17.03 O +ATOM 688 NE2 GLN A 42 -14.060 1.879 7.494 1.00 16.36 N +ATOM 689 H GLN A 42 -9.698 1.158 5.649 1.00 18.01 H +ATOM 690 HA GLN A 42 -11.603 2.946 6.833 1.00 18.00 H +ATOM 691 HB2 GLN A 42 -10.271 0.427 7.866 1.00 17.10 H +ATOM 692 HB3 GLN A 42 -11.526 1.286 8.759 1.00 17.65 H +ATOM 693 HG2 GLN A 42 -11.764 -0.037 6.046 1.00 17.14 H +ATOM 694 HG3 GLN A 42 -12.647 -0.430 7.522 1.00 17.03 H +ATOM 695 HE21 GLN A 42 -13.929 1.616 8.430 1.00 16.23 H +ATOM 696 HE22 GLN A 42 -14.761 2.522 7.260 1.00 16.27 H +ATOM 697 N LEU A 43 -10.469 4.098 8.796 1.00 16.69 N +ATOM 698 CA LEU A 43 -9.684 4.931 9.750 1.00 16.15 C +ATOM 699 C LEU A 43 -10.445 5.052 11.072 1.00 15.61 C +ATOM 700 O LEU A 43 -10.058 5.790 11.957 1.00 15.57 O +ATOM 701 CB LEU A 43 -9.476 6.326 9.157 1.00 16.73 C +ATOM 702 CG LEU A 43 -8.056 6.803 9.461 1.00 16.88 C +ATOM 703 CD1 LEU A 43 -7.046 5.828 8.853 1.00 17.47 C +ATOM 704 CD2 LEU A 43 -7.847 8.194 8.856 1.00 17.27 C +ATOM 705 H LEU A 43 -11.437 4.222 8.719 1.00 17.00 H +ATOM 706 HA LEU A 43 -8.725 4.469 9.928 1.00 15.90 H +ATOM 707 HB2 LEU A 43 -9.623 6.286 8.086 1.00 17.22 H +ATOM 708 HB3 LEU A 43 -10.186 7.011 9.593 1.00 16.67 H +ATOM 709 HG LEU A 43 -7.914 6.850 10.531 1.00 16.46 H +ATOM 710 HD11 LEU A 43 -7.524 5.256 8.071 1.00 17.89 H +ATOM 711 HD12 LEU A 43 -6.216 6.381 8.439 1.00 17.56 H +ATOM 712 HD13 LEU A 43 -6.685 5.159 9.621 1.00 17.50 H +ATOM 713 HD21 LEU A 43 -8.800 8.694 8.766 1.00 17.31 H +ATOM 714 HD22 LEU A 43 -7.196 8.771 9.497 1.00 17.40 H +ATOM 715 HD23 LEU A 43 -7.398 8.098 7.879 1.00 17.53 H +ATOM 716 N ALA A 44 -11.527 4.337 11.216 1.00 15.34 N +ATOM 717 CA ALA A 44 -12.308 4.416 12.482 1.00 14.99 C +ATOM 718 C ALA A 44 -11.642 3.545 13.550 1.00 14.10 C +ATOM 719 O ALA A 44 -11.954 3.635 14.721 1.00 13.96 O +ATOM 720 CB ALA A 44 -13.735 3.922 12.236 1.00 15.58 C +ATOM 721 H ALA A 44 -11.827 3.748 10.492 1.00 15.48 H +ATOM 722 HA ALA A 44 -12.336 5.442 12.821 1.00 15.10 H +ATOM 723 HB1 ALA A 44 -13.733 3.211 11.423 1.00 15.78 H +ATOM 724 HB2 ALA A 44 -14.110 3.446 13.130 1.00 15.78 H +ATOM 725 HB3 ALA A 44 -14.367 4.760 11.980 1.00 15.73 H +ATOM 726 N HIS A 45 -10.727 2.702 13.153 1.00 13.65 N +ATOM 727 CA HIS A 45 -10.036 1.822 14.142 1.00 12.91 C +ATOM 728 C HIS A 45 -10.950 0.654 14.518 1.00 12.30 C +ATOM 729 O HIS A 45 -11.987 0.834 15.124 1.00 12.38 O +ATOM 730 CB HIS A 45 -9.698 2.629 15.397 1.00 12.96 C +ATOM 731 CG HIS A 45 -8.322 2.256 15.881 1.00 13.34 C +ATOM 732 ND1 HIS A 45 -7.174 2.830 15.357 1.00 13.54 N +ATOM 733 CD2 HIS A 45 -7.895 1.371 16.839 1.00 13.74 C +ATOM 734 CE1 HIS A 45 -6.122 2.289 15.999 1.00 14.03 C +ATOM 735 NE2 HIS A 45 -6.505 1.393 16.911 1.00 14.18 N +ATOM 736 H HIS A 45 -10.492 2.647 12.204 1.00 13.88 H +ATOM 737 HA HIS A 45 -9.125 1.439 13.705 1.00 12.98 H +ATOM 738 HB2 HIS A 45 -9.724 3.684 15.165 1.00 13.11 H +ATOM 739 HB3 HIS A 45 -10.420 2.412 16.169 1.00 12.79 H +ATOM 740 HD1 HIS A 45 -7.135 3.507 14.650 1.00 13.46 H +ATOM 741 HD2 HIS A 45 -8.540 0.752 17.445 1.00 13.85 H +ATOM 742 HE1 HIS A 45 -5.092 2.550 15.801 1.00 14.39 H +ATOM 743 N HIS A 46 -10.570 -0.545 14.165 1.00 11.87 N +ATOM 744 CA HIS A 46 -11.415 -1.725 14.503 1.00 11.46 C +ATOM 745 C HIS A 46 -10.910 -2.949 13.737 1.00 10.55 C +ATOM 746 O HIS A 46 -11.682 -3.766 13.277 1.00 10.53 O +ATOM 747 CB HIS A 46 -12.867 -1.445 14.115 1.00 11.84 C +ATOM 748 CG HIS A 46 -13.682 -1.211 15.357 1.00 12.35 C +ATOM 749 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 12.68 N +ATOM 750 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 12.80 C +ATOM 751 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 13.29 C +ATOM 752 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 13.39 N +ATOM 753 H HIS A 46 -9.729 -0.668 13.678 1.00 11.95 H +ATOM 754 HA HIS A 46 -11.356 -1.917 15.565 1.00 11.76 H +ATOM 755 HB2 HIS A 46 -12.908 -0.568 13.486 1.00 11.94 H +ATOM 756 HB3 HIS A 46 -13.266 -2.293 13.578 1.00 11.86 H +ATOM 757 HD1 HIS A 46 -14.478 0.705 14.933 1.00 12.63 H +ATOM 758 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 12.83 H +ATOM 759 HE1 HIS A 46 -15.662 0.609 17.169 1.00 13.77 H +ATOM 760 N PHE A 47 -9.619 -3.081 13.594 1.00 10.00 N +ATOM 761 CA PHE A 47 -9.068 -4.252 12.856 1.00 9.29 C +ATOM 762 C PHE A 47 -7.788 -4.732 13.542 1.00 8.27 C +ATOM 763 O PHE A 47 -7.818 -5.593 14.400 1.00 8.29 O +ATOM 764 CB PHE A 47 -8.753 -3.843 11.416 1.00 9.52 C +ATOM 765 CG PHE A 47 -9.856 -4.323 10.503 1.00 10.43 C +ATOM 766 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 10.86 C +ATOM 767 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 11.07 C +ATOM 768 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 11.86 C +ATOM 769 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 12.06 C +ATOM 770 CZ PHE A 47 -11.898 -5.214 8.807 1.00 12.43 C +ATOM 771 H PHE A 47 -9.013 -2.410 13.972 1.00 10.20 H +ATOM 772 HA PHE A 47 -9.796 -5.050 12.852 1.00 9.58 H +ATOM 773 HB2 PHE A 47 -8.680 -2.766 11.356 1.00 9.36 H +ATOM 774 HB3 PHE A 47 -7.817 -4.285 11.112 1.00 9.45 H +ATOM 775 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 10.55 H +ATOM 776 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 10.94 H +ATOM 777 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 12.32 H +ATOM 778 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 12.65 H +ATOM 779 HZ PHE A 47 -12.687 -5.558 8.153 1.00 13.28 H +ATOM 780 N SER A 48 -6.663 -4.183 13.173 1.00 7.61 N +ATOM 781 CA SER A 48 -5.384 -4.610 13.806 1.00 6.80 C +ATOM 782 C SER A 48 -5.133 -3.774 15.062 1.00 5.60 C +ATOM 783 O SER A 48 -4.778 -2.614 14.987 1.00 5.39 O +ATOM 784 CB SER A 48 -4.235 -4.407 12.817 1.00 7.36 C +ATOM 785 OG SER A 48 -4.383 -5.315 11.733 1.00 8.12 O +ATOM 786 H SER A 48 -6.660 -3.492 12.479 1.00 7.83 H +ATOM 787 HA SER A 48 -5.446 -5.654 14.075 1.00 6.96 H +ATOM 788 HB2 SER A 48 -4.258 -3.399 12.441 1.00 7.45 H +ATOM 789 HB3 SER A 48 -3.293 -4.580 13.321 1.00 7.39 H +ATOM 790 HG SER A 48 -4.490 -6.197 12.098 1.00 8.23 H +ATOM 791 N GLU A 49 -5.314 -4.354 16.217 1.00 5.12 N +ATOM 792 CA GLU A 49 -5.088 -3.594 17.478 1.00 4.22 C +ATOM 793 C GLU A 49 -3.595 -3.284 17.641 1.00 3.04 C +ATOM 794 O GLU A 49 -3.221 -2.140 17.803 1.00 3.18 O +ATOM 795 CB GLU A 49 -5.573 -4.425 18.668 1.00 4.88 C +ATOM 796 CG GLU A 49 -6.895 -3.852 19.184 1.00 5.77 C +ATOM 797 CD GLU A 49 -8.064 -4.586 18.523 1.00 6.71 C +ATOM 798 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 7.29 O +ATOM 799 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 7.09 O +ATOM 800 H GLU A 49 -5.601 -5.290 16.254 1.00 5.60 H +ATOM 801 HA GLU A 49 -5.641 -2.668 17.439 1.00 4.31 H +ATOM 802 HB2 GLU A 49 -5.720 -5.449 18.357 1.00 5.35 H +ATOM 803 HB3 GLU A 49 -4.836 -4.389 19.456 1.00 4.66 H +ATOM 804 HG2 GLU A 49 -6.949 -3.979 20.256 1.00 5.92 H +ATOM 805 HG3 GLU A 49 -6.952 -2.800 18.943 1.00 5.90 H +ATOM 806 N PRO A 50 -2.783 -4.313 17.599 1.00 2.28 N +ATOM 807 CA PRO A 50 -1.323 -4.162 17.748 1.00 1.48 C +ATOM 808 C PRO A 50 -0.760 -3.261 16.643 1.00 1.33 C +ATOM 809 O PRO A 50 -1.346 -3.116 15.586 1.00 1.29 O +ATOM 810 CB PRO A 50 -0.764 -5.586 17.621 1.00 2.00 C +ATOM 811 CG PRO A 50 -1.965 -6.548 17.434 1.00 2.71 C +ATOM 812 CD PRO A 50 -3.246 -5.699 17.403 1.00 2.87 C +ATOM 813 HA PRO A 50 -1.083 -3.761 18.719 1.00 1.64 H +ATOM 814 HB2 PRO A 50 -0.106 -5.646 16.764 1.00 2.42 H +ATOM 815 HB3 PRO A 50 -0.226 -5.851 18.518 1.00 2.16 H +ATOM 816 HG2 PRO A 50 -1.859 -7.089 16.504 1.00 3.49 H +ATOM 817 HG3 PRO A 50 -2.010 -7.242 18.259 1.00 2.78 H +ATOM 818 HD2 PRO A 50 -3.736 -5.806 16.447 1.00 3.66 H +ATOM 819 HD3 PRO A 50 -3.908 -5.988 18.204 1.00 3.03 H +ATOM 820 N GLU A 51 0.373 -2.658 16.879 1.00 1.30 N +ATOM 821 CA GLU A 51 0.975 -1.767 15.848 1.00 1.19 C +ATOM 822 C GLU A 51 1.393 -2.592 14.630 1.00 1.06 C +ATOM 823 O GLU A 51 0.764 -2.542 13.592 1.00 1.01 O +ATOM 824 CB GLU A 51 2.206 -1.070 16.431 1.00 1.29 C +ATOM 825 CG GLU A 51 1.789 -0.203 17.619 1.00 1.90 C +ATOM 826 CD GLU A 51 2.683 -0.519 18.818 1.00 2.25 C +ATOM 827 OE1 GLU A 51 2.686 -1.662 19.244 1.00 2.89 O +ATOM 828 OE2 GLU A 51 3.350 0.387 19.291 1.00 2.52 O +ATOM 829 H GLU A 51 0.827 -2.791 17.737 1.00 1.39 H +ATOM 830 HA GLU A 51 0.252 -1.024 15.547 1.00 1.17 H +ATOM 831 HB2 GLU A 51 2.917 -1.814 16.760 1.00 1.78 H +ATOM 832 HB3 GLU A 51 2.660 -0.448 15.674 1.00 1.39 H +ATOM 833 HG2 GLU A 51 1.893 0.841 17.355 1.00 2.21 H +ATOM 834 HG3 GLU A 51 0.761 -0.409 17.874 1.00 2.64 H +ATOM 835 N ILE A 52 2.456 -3.346 14.747 1.00 1.07 N +ATOM 836 CA ILE A 52 2.929 -4.170 13.602 1.00 0.98 C +ATOM 837 C ILE A 52 1.736 -4.780 12.861 1.00 0.89 C +ATOM 838 O ILE A 52 1.701 -4.817 11.647 1.00 0.82 O +ATOM 839 CB ILE A 52 3.841 -5.282 14.128 1.00 1.09 C +ATOM 840 CG1 ILE A 52 4.696 -5.806 12.981 1.00 1.29 C +ATOM 841 CG2 ILE A 52 3.002 -6.426 14.707 1.00 1.27 C +ATOM 842 CD1 ILE A 52 6.170 -5.541 13.287 1.00 2.11 C +ATOM 843 H ILE A 52 2.949 -3.364 15.591 1.00 1.17 H +ATOM 844 HA ILE A 52 3.489 -3.545 12.922 1.00 0.94 H +ATOM 845 HB ILE A 52 4.484 -4.886 14.901 1.00 1.22 H +ATOM 846 HG12 ILE A 52 4.533 -6.867 12.866 1.00 1.49 H +ATOM 847 HG13 ILE A 52 4.420 -5.295 12.071 1.00 1.36 H +ATOM 848 HG21 ILE A 52 2.268 -6.025 15.388 1.00 1.79 H +ATOM 849 HG22 ILE A 52 2.502 -6.947 13.903 1.00 1.73 H +ATOM 850 HG23 ILE A 52 3.646 -7.114 15.234 1.00 1.50 H +ATOM 851 HD11 ILE A 52 6.254 -4.654 13.897 1.00 2.58 H +ATOM 852 HD12 ILE A 52 6.584 -6.385 13.818 1.00 2.56 H +ATOM 853 HD13 ILE A 52 6.709 -5.395 12.363 1.00 2.50 H +ATOM 854 N THR A 53 0.758 -5.255 13.581 1.00 0.92 N +ATOM 855 CA THR A 53 -0.431 -5.857 12.915 1.00 0.87 C +ATOM 856 C THR A 53 -1.121 -4.799 12.050 1.00 0.77 C +ATOM 857 O THR A 53 -1.476 -5.047 10.914 1.00 0.69 O +ATOM 858 CB THR A 53 -1.408 -6.385 13.972 1.00 0.99 C +ATOM 859 OG1 THR A 53 -1.442 -5.496 15.082 1.00 1.57 O +ATOM 860 CG2 THR A 53 -0.954 -7.768 14.440 1.00 1.43 C +ATOM 861 H THR A 53 0.804 -5.213 14.558 1.00 1.01 H +ATOM 862 HA THR A 53 -0.109 -6.675 12.287 1.00 0.85 H +ATOM 863 HB THR A 53 -2.394 -6.462 13.543 1.00 1.38 H +ATOM 864 HG1 THR A 53 -0.975 -4.697 14.839 1.00 1.99 H +ATOM 865 HG21 THR A 53 -0.301 -8.202 13.699 1.00 1.95 H +ATOM 866 HG22 THR A 53 -0.424 -7.675 15.377 1.00 1.96 H +ATOM 867 HG23 THR A 53 -1.816 -8.402 14.577 1.00 1.85 H +ATOM 868 N LEU A 54 -1.329 -3.623 12.576 1.00 0.81 N +ATOM 869 CA LEU A 54 -2.006 -2.571 11.766 1.00 0.74 C +ATOM 870 C LEU A 54 -1.043 -2.026 10.710 1.00 0.62 C +ATOM 871 O LEU A 54 -1.398 -1.894 9.558 1.00 0.52 O +ATOM 872 CB LEU A 54 -2.459 -1.422 12.674 1.00 0.87 C +ATOM 873 CG LEU A 54 -3.787 -0.853 12.165 1.00 1.11 C +ATOM 874 CD1 LEU A 54 -4.040 0.507 12.818 1.00 1.02 C +ATOM 875 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 1.63 C +ATOM 876 H LEU A 54 -1.047 -3.435 13.496 1.00 0.89 H +ATOM 877 HA LEU A 54 -2.866 -2.997 11.271 1.00 0.73 H +ATOM 878 HB2 LEU A 54 -2.591 -1.789 13.681 1.00 1.12 H +ATOM 879 HB3 LEU A 54 -1.712 -0.644 12.669 1.00 1.06 H +ATOM 880 HG LEU A 54 -4.590 -1.529 12.422 1.00 1.49 H +ATOM 881 HD11 LEU A 54 -3.240 0.729 13.508 1.00 1.17 H +ATOM 882 HD12 LEU A 54 -4.079 1.271 12.055 1.00 1.50 H +ATOM 883 HD13 LEU A 54 -4.979 0.481 13.351 1.00 1.52 H +ATOM 884 HD21 LEU A 54 -2.822 -0.159 10.375 1.00 2.19 H +ATOM 885 HD22 LEU A 54 -3.743 -1.650 10.171 1.00 1.88 H +ATOM 886 HD23 LEU A 54 -4.584 -0.106 10.315 1.00 2.07 H +ATOM 887 N ILE A 55 0.167 -1.697 11.078 1.00 0.66 N +ATOM 888 CA ILE A 55 1.107 -1.158 10.055 1.00 0.59 C +ATOM 889 C ILE A 55 1.260 -2.171 8.918 1.00 0.48 C +ATOM 890 O ILE A 55 1.135 -1.833 7.757 1.00 0.39 O +ATOM 891 CB ILE A 55 2.472 -0.900 10.695 1.00 0.70 C +ATOM 892 CG1 ILE A 55 2.311 0.071 11.868 1.00 0.89 C +ATOM 893 CG2 ILE A 55 3.414 -0.291 9.654 1.00 0.73 C +ATOM 894 CD1 ILE A 55 3.576 0.043 12.728 1.00 1.02 C +ATOM 895 H ILE A 55 0.451 -1.799 12.011 1.00 0.76 H +ATOM 896 HA ILE A 55 0.714 -0.232 9.661 1.00 0.57 H +ATOM 897 HB ILE A 55 2.886 -1.832 11.051 1.00 0.70 H +ATOM 898 HG12 ILE A 55 2.154 1.070 11.489 1.00 0.95 H +ATOM 899 HG13 ILE A 55 1.464 -0.227 12.467 1.00 0.95 H +ATOM 900 HG21 ILE A 55 3.450 -0.930 8.784 1.00 1.16 H +ATOM 901 HG22 ILE A 55 3.053 0.686 9.369 1.00 1.26 H +ATOM 902 HG23 ILE A 55 4.404 -0.200 10.075 1.00 1.34 H +ATOM 903 HD11 ILE A 55 4.369 -0.453 12.188 1.00 1.45 H +ATOM 904 HD12 ILE A 55 3.876 1.055 12.960 1.00 1.40 H +ATOM 905 HD13 ILE A 55 3.377 -0.492 13.646 1.00 1.51 H +ATOM 906 N ILE A 56 1.500 -3.417 9.237 1.00 0.51 N +ATOM 907 CA ILE A 56 1.622 -4.438 8.159 1.00 0.45 C +ATOM 908 C ILE A 56 0.327 -4.451 7.349 1.00 0.35 C +ATOM 909 O ILE A 56 0.335 -4.430 6.132 1.00 0.30 O +ATOM 910 CB ILE A 56 1.892 -5.820 8.767 1.00 0.52 C +ATOM 911 CG1 ILE A 56 2.302 -6.791 7.658 1.00 1.19 C +ATOM 912 CG2 ILE A 56 0.637 -6.344 9.462 1.00 1.41 C +ATOM 913 CD1 ILE A 56 3.696 -7.344 7.956 1.00 1.86 C +ATOM 914 H ILE A 56 1.577 -3.680 10.179 1.00 0.59 H +ATOM 915 HA ILE A 56 2.443 -4.168 7.509 1.00 0.46 H +ATOM 916 HB ILE A 56 2.690 -5.741 9.488 1.00 1.05 H +ATOM 917 HG12 ILE A 56 1.592 -7.604 7.612 1.00 1.77 H +ATOM 918 HG13 ILE A 56 2.317 -6.271 6.712 1.00 1.90 H +ATOM 919 HG21 ILE A 56 -0.167 -6.424 8.747 1.00 1.89 H +ATOM 920 HG22 ILE A 56 0.841 -7.317 9.884 1.00 1.87 H +ATOM 921 HG23 ILE A 56 0.356 -5.665 10.249 1.00 2.07 H +ATOM 922 HD11 ILE A 56 4.167 -6.743 8.719 1.00 2.48 H +ATOM 923 HD12 ILE A 56 3.612 -8.364 8.302 1.00 2.31 H +ATOM 924 HD13 ILE A 56 4.294 -7.317 7.057 1.00 2.21 H +ATOM 925 N PHE A 57 -0.790 -4.478 8.027 1.00 0.37 N +ATOM 926 CA PHE A 57 -2.104 -4.486 7.319 1.00 0.34 C +ATOM 927 C PHE A 57 -2.201 -3.262 6.412 1.00 0.29 C +ATOM 928 O PHE A 57 -2.590 -3.358 5.265 1.00 0.27 O +ATOM 929 CB PHE A 57 -3.253 -4.459 8.333 1.00 0.44 C +ATOM 930 CG PHE A 57 -3.822 -5.851 8.480 1.00 1.05 C +ATOM 931 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 1.80 C +ATOM 932 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 1.97 C +ATOM 933 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 2.57 C +ATOM 934 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 2.71 C +ATOM 935 CZ PHE A 57 -4.876 -8.431 8.751 1.00 2.81 C +ATOM 936 H PHE A 57 -0.761 -4.493 9.007 1.00 0.43 H +ATOM 937 HA PHE A 57 -2.178 -5.382 6.718 1.00 0.34 H +ATOM 938 HB2 PHE A 57 -2.889 -4.114 9.290 1.00 0.94 H +ATOM 939 HB3 PHE A 57 -4.026 -3.792 7.982 1.00 0.81 H +ATOM 940 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 2.26 H +ATOM 941 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 2.49 H +ATOM 942 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 3.32 H +ATOM 943 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 3.52 H +ATOM 944 HZ PHE A 57 -5.282 -9.426 8.854 1.00 3.51 H +ATOM 945 N GLY A 58 -1.860 -2.109 6.916 1.00 0.30 N +ATOM 946 CA GLY A 58 -1.944 -0.879 6.079 1.00 0.28 C +ATOM 947 C GLY A 58 -1.104 -1.069 4.816 1.00 0.22 C +ATOM 948 O GLY A 58 -1.550 -0.791 3.722 1.00 0.23 O +ATOM 949 H GLY A 58 -1.556 -2.049 7.847 1.00 0.34 H +ATOM 950 HA2 GLY A 58 -2.975 -0.700 5.804 1.00 0.31 H +ATOM 951 HA3 GLY A 58 -1.567 -0.035 6.637 1.00 0.31 H +ATOM 952 N VAL A 59 0.103 -1.549 4.949 1.00 0.22 N +ATOM 953 CA VAL A 59 0.941 -1.756 3.736 1.00 0.23 C +ATOM 954 C VAL A 59 0.193 -2.684 2.776 1.00 0.22 C +ATOM 955 O VAL A 59 0.058 -2.403 1.600 1.00 0.23 O +ATOM 956 CB VAL A 59 2.272 -2.387 4.143 1.00 0.27 C +ATOM 957 CG1 VAL A 59 3.116 -2.655 2.896 1.00 0.33 C +ATOM 958 CG2 VAL A 59 3.021 -1.426 5.071 1.00 0.30 C +ATOM 959 H VAL A 59 0.451 -1.777 5.837 1.00 0.24 H +ATOM 960 HA VAL A 59 1.124 -0.809 3.253 1.00 0.25 H +ATOM 961 HB VAL A 59 2.086 -3.319 4.659 1.00 0.30 H +ATOM 962 HG11 VAL A 59 2.468 -2.738 2.035 1.00 0.98 H +ATOM 963 HG12 VAL A 59 3.809 -1.839 2.748 1.00 1.10 H +ATOM 964 HG13 VAL A 59 3.665 -3.576 3.024 1.00 1.05 H +ATOM 965 HG21 VAL A 59 2.314 -0.762 5.549 1.00 0.93 H +ATOM 966 HG22 VAL A 59 3.550 -1.991 5.825 1.00 1.14 H +ATOM 967 HG23 VAL A 59 3.726 -0.845 4.496 1.00 1.08 H +ATOM 968 N MET A 60 -0.323 -3.774 3.276 1.00 0.22 N +ATOM 969 CA MET A 60 -1.094 -4.700 2.401 1.00 0.23 C +ATOM 970 C MET A 60 -2.254 -3.926 1.773 1.00 0.24 C +ATOM 971 O MET A 60 -2.497 -3.992 0.583 1.00 0.25 O +ATOM 972 CB MET A 60 -1.641 -5.858 3.238 1.00 0.26 C +ATOM 973 CG MET A 60 -0.478 -6.620 3.877 1.00 0.32 C +ATOM 974 SD MET A 60 -1.054 -8.243 4.436 1.00 1.15 S +ATOM 975 CE MET A 60 -2.280 -7.654 5.630 1.00 1.83 C +ATOM 976 H MET A 60 -0.224 -3.971 4.232 1.00 0.22 H +ATOM 977 HA MET A 60 -0.450 -5.085 1.623 1.00 0.25 H +ATOM 978 HB2 MET A 60 -2.287 -5.468 4.012 1.00 0.29 H +ATOM 979 HB3 MET A 60 -2.203 -6.527 2.604 1.00 0.30 H +ATOM 980 HG2 MET A 60 0.310 -6.750 3.151 1.00 0.69 H +ATOM 981 HG3 MET A 60 -0.103 -6.061 4.721 1.00 0.71 H +ATOM 982 HE1 MET A 60 -2.890 -6.888 5.171 1.00 2.42 H +ATOM 983 HE2 MET A 60 -2.909 -8.473 5.937 1.00 2.17 H +ATOM 984 HE3 MET A 60 -1.773 -7.247 6.495 1.00 2.39 H +ATOM 985 N ALA A 61 -2.967 -3.187 2.580 1.00 0.25 N +ATOM 986 CA ALA A 61 -4.115 -2.391 2.068 1.00 0.27 C +ATOM 987 C ALA A 61 -3.638 -1.441 0.964 1.00 0.26 C +ATOM 988 O ALA A 61 -4.262 -1.329 -0.073 1.00 0.27 O +ATOM 989 CB ALA A 61 -4.761 -1.600 3.215 1.00 0.31 C +ATOM 990 H ALA A 61 -2.741 -3.154 3.532 1.00 0.25 H +ATOM 991 HA ALA A 61 -4.850 -3.067 1.652 1.00 0.29 H +ATOM 992 HB1 ALA A 61 -4.117 -1.623 4.082 1.00 1.02 H +ATOM 993 HB2 ALA A 61 -4.922 -0.576 2.909 1.00 1.10 H +ATOM 994 HB3 ALA A 61 -5.711 -2.049 3.467 1.00 1.06 H +ATOM 995 N GLY A 62 -2.547 -0.744 1.170 1.00 0.25 N +ATOM 996 CA GLY A 62 -2.071 0.195 0.118 1.00 0.26 C +ATOM 997 C GLY A 62 -1.867 -0.571 -1.186 1.00 0.24 C +ATOM 998 O GLY A 62 -2.311 -0.149 -2.235 1.00 0.24 O +ATOM 999 H GLY A 62 -2.048 -0.834 2.007 1.00 0.25 H +ATOM 1000 HA2 GLY A 62 -2.807 0.974 -0.029 1.00 0.29 H +ATOM 1001 HA3 GLY A 62 -1.135 0.635 0.424 1.00 0.27 H +ATOM 1002 N VAL A 63 -1.212 -1.699 -1.139 1.00 0.22 N +ATOM 1003 CA VAL A 63 -1.011 -2.474 -2.397 1.00 0.21 C +ATOM 1004 C VAL A 63 -2.378 -2.781 -3.018 1.00 0.21 C +ATOM 1005 O VAL A 63 -2.596 -2.580 -4.197 1.00 0.21 O +ATOM 1006 CB VAL A 63 -0.285 -3.784 -2.087 1.00 0.23 C +ATOM 1007 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 0.28 C +ATOM 1008 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 0.31 C +ATOM 1009 H VAL A 63 -0.861 -2.036 -0.285 1.00 0.22 H +ATOM 1010 HA VAL A 63 -0.422 -1.889 -3.090 1.00 0.22 H +ATOM 1011 HB VAL A 63 -0.882 -4.373 -1.408 1.00 0.28 H +ATOM 1012 HG11 VAL A 63 -0.997 -4.624 -3.930 1.00 0.98 H +ATOM 1013 HG12 VAL A 63 0.674 -4.062 -3.988 1.00 1.07 H +ATOM 1014 HG13 VAL A 63 0.277 -5.562 -3.150 1.00 1.13 H +ATOM 1015 HG21 VAL A 63 1.555 -2.681 -1.991 1.00 0.96 H +ATOM 1016 HG22 VAL A 63 0.921 -3.172 -0.420 1.00 1.07 H +ATOM 1017 HG23 VAL A 63 1.690 -4.361 -1.472 1.00 1.14 H +ATOM 1018 N ILE A 64 -3.305 -3.257 -2.227 1.00 0.23 N +ATOM 1019 CA ILE A 64 -4.661 -3.568 -2.763 1.00 0.25 C +ATOM 1020 C ILE A 64 -5.271 -2.314 -3.398 1.00 0.26 C +ATOM 1021 O ILE A 64 -5.803 -2.356 -4.489 1.00 0.26 O +ATOM 1022 CB ILE A 64 -5.560 -4.050 -1.624 1.00 0.30 C +ATOM 1023 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 0.32 C +ATOM 1024 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 0.40 C +ATOM 1025 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 1.06 C +ATOM 1026 H ILE A 64 -3.110 -3.409 -1.278 1.00 0.24 H +ATOM 1027 HA ILE A 64 -4.582 -4.345 -3.509 1.00 0.26 H +ATOM 1028 HB ILE A 64 -5.529 -3.335 -0.814 1.00 0.33 H +ATOM 1029 HG12 ILE A 64 -5.463 -6.190 -1.760 1.00 0.77 H +ATOM 1030 HG13 ILE A 64 -3.986 -5.435 -1.159 1.00 0.79 H +ATOM 1031 HG21 ILE A 64 -6.999 -4.697 -3.081 1.00 1.11 H +ATOM 1032 HG22 ILE A 64 -7.579 -4.750 -1.416 1.00 1.08 H +ATOM 1033 HG23 ILE A 64 -7.431 -3.203 -2.249 1.00 1.05 H +ATOM 1034 HD11 ILE A 64 -5.461 -4.704 0.861 1.00 1.59 H +ATOM 1035 HD12 ILE A 64 -6.560 -5.969 0.309 1.00 1.60 H +ATOM 1036 HD13 ILE A 64 -4.911 -6.379 0.781 1.00 1.66 H +ATOM 1037 N GLY A 65 -5.205 -1.198 -2.720 1.00 0.27 N +ATOM 1038 CA GLY A 65 -5.790 0.052 -3.281 1.00 0.30 C +ATOM 1039 C GLY A 65 -5.162 0.350 -4.642 1.00 0.27 C +ATOM 1040 O GLY A 65 -5.849 0.644 -5.600 1.00 0.29 O +ATOM 1041 H GLY A 65 -4.779 -1.184 -1.838 1.00 0.28 H +ATOM 1042 HA2 GLY A 65 -6.857 -0.071 -3.395 1.00 0.33 H +ATOM 1043 HA3 GLY A 65 -5.591 0.874 -2.611 1.00 0.33 H +ATOM 1044 N THR A 66 -3.863 0.275 -4.741 1.00 0.24 N +ATOM 1045 CA THR A 66 -3.207 0.554 -6.048 1.00 0.24 C +ATOM 1046 C THR A 66 -3.780 -0.388 -7.107 1.00 0.24 C +ATOM 1047 O THR A 66 -4.144 0.026 -8.190 1.00 0.28 O +ATOM 1048 CB THR A 66 -1.698 0.331 -5.925 1.00 0.25 C +ATOM 1049 OG1 THR A 66 -1.204 1.052 -4.804 1.00 0.32 O +ATOM 1050 CG2 THR A 66 -1.006 0.823 -7.198 1.00 0.28 C +ATOM 1051 H THR A 66 -3.322 0.034 -3.959 1.00 0.24 H +ATOM 1052 HA THR A 66 -3.399 1.578 -6.336 1.00 0.28 H +ATOM 1053 HB THR A 66 -1.498 -0.721 -5.794 1.00 0.25 H +ATOM 1054 HG1 THR A 66 -1.525 0.620 -4.008 1.00 0.39 H +ATOM 1055 HG21 THR A 66 -1.502 0.405 -8.062 1.00 1.00 H +ATOM 1056 HG22 THR A 66 -1.057 1.901 -7.242 1.00 1.09 H +ATOM 1057 HG23 THR A 66 0.028 0.512 -7.190 1.00 0.99 H +ATOM 1058 N ILE A 67 -3.872 -1.654 -6.801 1.00 0.23 N +ATOM 1059 CA ILE A 67 -4.433 -2.616 -7.791 1.00 0.29 C +ATOM 1060 C ILE A 67 -5.841 -2.165 -8.189 1.00 0.33 C +ATOM 1061 O ILE A 67 -6.184 -2.115 -9.353 1.00 0.40 O +ATOM 1062 CB ILE A 67 -4.498 -4.012 -7.168 1.00 0.33 C +ATOM 1063 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 0.34 C +ATOM 1064 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 0.40 C +ATOM 1065 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 0.41 C +ATOM 1066 H ILE A 67 -3.580 -1.970 -5.920 1.00 0.21 H +ATOM 1067 HA ILE A 67 -3.801 -2.642 -8.667 1.00 0.32 H +ATOM 1068 HB ILE A 67 -4.953 -3.949 -6.190 1.00 0.34 H +ATOM 1069 HG12 ILE A 67 -2.722 -4.870 -8.014 1.00 0.40 H +ATOM 1070 HG13 ILE A 67 -2.429 -3.825 -6.624 1.00 0.34 H +ATOM 1071 HG21 ILE A 67 -5.576 -4.419 -8.978 1.00 1.10 H +ATOM 1072 HG22 ILE A 67 -4.768 -5.824 -8.285 1.00 0.98 H +ATOM 1073 HG23 ILE A 67 -6.244 -5.202 -7.546 1.00 1.06 H +ATOM 1074 HD11 ILE A 67 -3.536 -5.523 -5.165 1.00 1.07 H +ATOM 1075 HD12 ILE A 67 -3.688 -6.582 -6.566 1.00 1.11 H +ATOM 1076 HD13 ILE A 67 -2.090 -6.147 -5.960 1.00 1.14 H +ATOM 1077 N LEU A 68 -6.654 -1.828 -7.225 1.00 0.33 N +ATOM 1078 CA LEU A 68 -8.036 -1.371 -7.533 1.00 0.41 C +ATOM 1079 C LEU A 68 -7.963 -0.162 -8.476 1.00 0.44 C +ATOM 1080 O LEU A 68 -8.666 -0.088 -9.464 1.00 0.51 O +ATOM 1081 CB LEU A 68 -8.758 -1.027 -6.210 1.00 0.44 C +ATOM 1082 CG LEU A 68 -9.339 0.393 -6.232 1.00 0.76 C +ATOM 1083 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 1.14 C +ATOM 1084 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 1.06 C +ATOM 1085 H LEU A 68 -6.353 -1.870 -6.293 1.00 0.30 H +ATOM 1086 HA LEU A 68 -8.568 -2.171 -8.030 1.00 0.46 H +ATOM 1087 HB2 LEU A 68 -9.561 -1.731 -6.053 1.00 0.70 H +ATOM 1088 HB3 LEU A 68 -8.055 -1.108 -5.394 1.00 0.61 H +ATOM 1089 HG LEU A 68 -8.589 1.081 -6.591 1.00 0.84 H +ATOM 1090 HD11 LEU A 68 -11.151 -0.454 -7.012 1.00 1.55 H +ATOM 1091 HD12 LEU A 68 -11.153 1.307 -6.926 1.00 1.54 H +ATOM 1092 HD13 LEU A 68 -10.229 0.487 -8.184 1.00 1.72 H +ATOM 1093 HD21 LEU A 68 -9.616 -0.048 -4.148 1.00 1.51 H +ATOM 1094 HD22 LEU A 68 -9.163 1.625 -4.481 1.00 1.52 H +ATOM 1095 HD23 LEU A 68 -10.804 1.071 -4.816 1.00 1.60 H +ATOM 1096 N LEU A 69 -7.120 0.789 -8.172 1.00 0.40 N +ATOM 1097 CA LEU A 69 -7.008 1.991 -9.048 1.00 0.47 C +ATOM 1098 C LEU A 69 -6.666 1.556 -10.474 1.00 0.51 C +ATOM 1099 O LEU A 69 -7.269 2.002 -11.429 1.00 0.60 O +ATOM 1100 CB LEU A 69 -5.905 2.912 -8.516 1.00 0.47 C +ATOM 1101 CG LEU A 69 -5.953 4.249 -9.259 1.00 1.14 C +ATOM 1102 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 2.02 C +ATOM 1103 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 1.67 C +ATOM 1104 H LEU A 69 -6.563 0.709 -7.368 1.00 0.36 H +ATOM 1105 HA LEU A 69 -7.950 2.524 -9.054 1.00 0.54 H +ATOM 1106 HB2 LEU A 69 -6.056 3.081 -7.460 1.00 0.81 H +ATOM 1107 HB3 LEU A 69 -4.942 2.449 -8.674 1.00 0.89 H +ATOM 1108 HG LEU A 69 -5.755 4.085 -10.309 1.00 1.90 H +ATOM 1109 HD11 LEU A 69 -7.737 4.623 -8.124 1.00 2.49 H +ATOM 1110 HD12 LEU A 69 -7.256 5.952 -9.177 1.00 2.41 H +ATOM 1111 HD13 LEU A 69 -7.996 4.507 -9.864 1.00 2.62 H +ATOM 1112 HD21 LEU A 69 -4.280 4.654 -7.972 1.00 2.08 H +ATOM 1113 HD22 LEU A 69 -4.277 5.573 -9.479 1.00 2.26 H +ATOM 1114 HD23 LEU A 69 -5.383 6.015 -8.179 1.00 2.09 H +ATOM 1115 N ILE A 70 -5.705 0.687 -10.629 1.00 0.47 N +ATOM 1116 CA ILE A 70 -5.336 0.228 -11.998 1.00 0.57 C +ATOM 1117 C ILE A 70 -6.563 -0.366 -12.683 1.00 0.65 C +ATOM 1118 O ILE A 70 -6.864 -0.045 -13.815 1.00 0.77 O +ATOM 1119 CB ILE A 70 -4.238 -0.832 -11.904 1.00 0.55 C +ATOM 1120 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 0.51 C +ATOM 1121 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 0.66 C +ATOM 1122 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 0.54 C +ATOM 1123 H ILE A 70 -5.229 0.334 -9.848 1.00 0.40 H +ATOM 1124 HA ILE A 70 -4.979 1.067 -12.578 1.00 0.62 H +ATOM 1125 HB ILE A 70 -4.577 -1.644 -11.276 1.00 0.53 H +ATOM 1126 HG12 ILE A 70 -2.503 0.425 -12.035 1.00 0.59 H +ATOM 1127 HG13 ILE A 70 -3.247 0.382 -10.436 1.00 0.48 H +ATOM 1128 HG21 ILE A 70 -4.284 -0.669 -14.043 1.00 1.39 H +ATOM 1129 HG22 ILE A 70 -2.853 -1.482 -13.409 1.00 1.07 H +ATOM 1130 HG23 ILE A 70 -4.404 -2.321 -13.439 1.00 1.17 H +ATOM 1131 HD11 ILE A 70 -2.575 -2.193 -10.592 1.00 1.13 H +ATOM 1132 HD12 ILE A 70 -1.360 -1.558 -11.701 1.00 1.23 H +ATOM 1133 HD13 ILE A 70 -1.424 -0.978 -10.035 1.00 1.10 H +ATOM 1134 N SER A 71 -7.284 -1.220 -12.011 1.00 0.63 N +ATOM 1135 CA SER A 71 -8.492 -1.807 -12.649 1.00 0.76 C +ATOM 1136 C SER A 71 -9.414 -0.667 -13.069 1.00 0.83 C +ATOM 1137 O SER A 71 -9.898 -0.620 -14.183 1.00 0.95 O +ATOM 1138 CB SER A 71 -9.215 -2.712 -11.651 1.00 0.74 C +ATOM 1139 OG SER A 71 -8.357 -2.976 -10.549 1.00 1.53 O +ATOM 1140 H SER A 71 -7.036 -1.467 -11.096 1.00 0.55 H +ATOM 1141 HA SER A 71 -8.202 -2.379 -13.519 1.00 0.83 H +ATOM 1142 HB2 SER A 71 -10.107 -2.222 -11.299 1.00 1.04 H +ATOM 1143 HB3 SER A 71 -9.486 -3.640 -12.140 1.00 1.03 H +ATOM 1144 HG SER A 71 -8.902 -3.050 -9.762 1.00 1.76 H +ATOM 1145 N TYR A 72 -9.648 0.266 -12.187 1.00 0.77 N +ATOM 1146 CA TYR A 72 -10.522 1.416 -12.538 1.00 0.87 C +ATOM 1147 C TYR A 72 -9.950 2.131 -13.767 1.00 0.94 C +ATOM 1148 O TYR A 72 -10.658 2.427 -14.708 1.00 1.07 O +ATOM 1149 CB TYR A 72 -10.580 2.390 -11.361 1.00 0.83 C +ATOM 1150 CG TYR A 72 -11.997 2.475 -10.846 1.00 1.09 C +ATOM 1151 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 1.68 C +ATOM 1152 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 1.74 C +ATOM 1153 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 2.03 C +ATOM 1154 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 1.99 C +ATOM 1155 CZ TYR A 72 -14.624 2.637 -9.891 1.00 1.84 C +ATOM 1156 OH TYR A 72 -15.920 2.717 -9.421 1.00 2.25 O +ATOM 1157 H TYR A 72 -9.238 0.213 -11.297 1.00 0.68 H +ATOM 1158 HA TYR A 72 -11.517 1.058 -12.760 1.00 0.96 H +ATOM 1159 HB2 TYR A 72 -9.930 2.038 -10.572 1.00 0.85 H +ATOM 1160 HB3 TYR A 72 -10.256 3.367 -11.685 1.00 0.87 H +ATOM 1161 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 2.29 H +ATOM 1162 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 2.42 H +ATOM 1163 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 2.78 H +ATOM 1164 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 2.69 H +ATOM 1165 HH TYR A 72 -15.906 3.214 -8.599 1.00 2.43 H +ATOM 1166 N GLY A 73 -8.670 2.405 -13.767 1.00 0.88 N +ATOM 1167 CA GLY A 73 -8.058 3.094 -14.938 1.00 0.98 C +ATOM 1168 C GLY A 73 -8.314 2.269 -16.198 1.00 1.10 C +ATOM 1169 O GLY A 73 -8.734 2.784 -17.215 1.00 1.24 O +ATOM 1170 H GLY A 73 -8.113 2.157 -13.001 1.00 0.78 H +ATOM 1171 HA2 GLY A 73 -8.498 4.074 -15.050 1.00 1.05 H +ATOM 1172 HA3 GLY A 73 -6.994 3.190 -14.786 1.00 0.93 H +ATOM 1173 N ILE A 74 -8.073 0.988 -16.135 1.00 1.07 N +ATOM 1174 CA ILE A 74 -8.317 0.133 -17.332 1.00 1.22 C +ATOM 1175 C ILE A 74 -9.781 0.283 -17.758 1.00 1.34 C +ATOM 1176 O ILE A 74 -10.082 0.473 -18.918 1.00 1.50 O +ATOM 1177 CB ILE A 74 -8.007 -1.334 -16.993 1.00 1.20 C +ATOM 1178 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 1.37 C +ATOM 1179 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 1.50 C +ATOM 1180 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 1.81 C +ATOM 1181 H ILE A 74 -7.737 0.590 -15.301 1.00 0.95 H +ATOM 1182 HA ILE A 74 -7.674 0.458 -18.139 1.00 1.29 H +ATOM 1183 HB ILE A 74 -8.338 -1.550 -15.989 1.00 1.42 H +ATOM 1184 HG12 ILE A 74 -6.312 -2.550 -17.507 1.00 1.68 H +ATOM 1185 HG13 ILE A 74 -6.062 -0.820 -17.745 1.00 1.85 H +ATOM 1186 HG21 ILE A 74 -8.746 -1.808 -18.955 1.00 1.93 H +ATOM 1187 HG22 ILE A 74 -8.201 -3.207 -18.030 1.00 1.99 H +ATOM 1188 HG23 ILE A 74 -9.737 -2.434 -17.638 1.00 1.84 H +ATOM 1189 HD11 ILE A 74 -6.547 -1.861 -14.973 1.00 2.15 H +ATOM 1190 HD12 ILE A 74 -4.945 -2.033 -15.691 1.00 2.28 H +ATOM 1191 HD13 ILE A 74 -5.653 -0.431 -15.486 1.00 2.29 H +ATOM 1192 N ARG A 75 -10.691 0.199 -16.825 1.00 1.29 N +ATOM 1193 CA ARG A 75 -12.136 0.339 -17.174 1.00 1.42 C +ATOM 1194 C ARG A 75 -12.369 1.682 -17.864 1.00 1.52 C +ATOM 1195 O ARG A 75 -13.025 1.754 -18.885 1.00 1.68 O +ATOM 1196 CB ARG A 75 -12.990 0.260 -15.904 1.00 1.36 C +ATOM 1197 CG ARG A 75 -14.446 -0.010 -16.285 1.00 1.61 C +ATOM 1198 CD ARG A 75 -15.272 1.263 -16.091 1.00 1.77 C +ATOM 1199 NE ARG A 75 -15.021 1.815 -14.730 1.00 1.70 N +ATOM 1200 CZ ARG A 75 -15.373 3.040 -14.448 1.00 2.10 C +ATOM 1201 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 2.69 N +ATOM 1202 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 2.54 N +ATOM 1203 H ARG A 75 -10.422 0.046 -15.896 1.00 1.17 H +ATOM 1204 HA ARG A 75 -12.419 -0.458 -17.849 1.00 1.53 H +ATOM 1205 HB2 ARG A 75 -12.628 -0.541 -15.274 1.00 1.77 H +ATOM 1206 HB3 ARG A 75 -12.928 1.196 -15.369 1.00 1.52 H +ATOM 1207 HG2 ARG A 75 -14.495 -0.318 -17.320 1.00 2.02 H +ATOM 1208 HG3 ARG A 75 -14.843 -0.794 -15.656 1.00 2.12 H +ATOM 1209 HD2 ARG A 75 -14.987 1.993 -16.834 1.00 2.20 H +ATOM 1210 HD3 ARG A 75 -16.322 1.031 -16.197 1.00 2.01 H +ATOM 1211 HE ARG A 75 -14.591 1.260 -14.047 1.00 1.66 H +ATOM 1212 HH11 ARG A 75 -17.276 2.787 -15.017 1.00 3.04 H +ATOM 1213 HH12 ARG A 75 -16.874 4.367 -14.433 1.00 3.11 H +ATOM 1214 HH21 ARG A 75 -13.553 3.580 -13.813 1.00 2.81 H +ATOM 1215 HH22 ARG A 75 -14.766 4.816 -13.751 1.00 2.97 H +ATOM 1216 N ARG A 76 -11.839 2.750 -17.329 1.00 1.43 N +ATOM 1217 CA ARG A 76 -12.046 4.070 -17.985 1.00 1.55 C +ATOM 1218 C ARG A 76 -11.541 3.960 -19.420 1.00 1.67 C +ATOM 1219 O ARG A 76 -12.216 4.328 -20.359 1.00 1.83 O +ATOM 1220 CB ARG A 76 -11.256 5.148 -17.239 1.00 1.45 C +ATOM 1221 CG ARG A 76 -11.601 6.524 -17.811 1.00 1.62 C +ATOM 1222 CD ARG A 76 -11.544 7.570 -16.696 1.00 1.72 C +ATOM 1223 NE ARG A 76 -11.975 8.895 -17.227 1.00 2.17 N +ATOM 1224 CZ ARG A 76 -11.658 9.250 -18.443 1.00 2.50 C +ATOM 1225 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 2.89 N +ATOM 1226 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 3.17 N +ATOM 1227 H ARG A 76 -11.309 2.682 -16.508 1.00 1.30 H +ATOM 1228 HA ARG A 76 -13.097 4.317 -17.987 1.00 1.63 H +ATOM 1229 HB2 ARG A 76 -11.513 5.120 -16.189 1.00 1.45 H +ATOM 1230 HB3 ARG A 76 -10.199 4.966 -17.356 1.00 1.41 H +ATOM 1231 HG2 ARG A 76 -10.891 6.780 -18.584 1.00 1.82 H +ATOM 1232 HG3 ARG A 76 -12.596 6.501 -18.230 1.00 2.06 H +ATOM 1233 HD2 ARG A 76 -12.203 7.275 -15.893 1.00 2.19 H +ATOM 1234 HD3 ARG A 76 -10.533 7.643 -16.323 1.00 2.00 H +ATOM 1235 HE ARG A 76 -12.498 9.503 -16.662 1.00 2.74 H +ATOM 1236 HH11 ARG A 76 -9.814 9.856 -17.950 1.00 3.01 H +ATOM 1237 HH12 ARG A 76 -10.234 10.017 -19.623 1.00 3.47 H +ATOM 1238 HH21 ARG A 76 -13.427 8.726 -19.222 1.00 3.47 H +ATOM 1239 HH22 ARG A 76 -12.279 9.378 -20.343 1.00 3.71 H +ATOM 1240 N LEU A 77 -10.372 3.412 -19.595 1.00 1.62 N +ATOM 1241 CA LEU A 77 -9.838 3.226 -20.968 1.00 1.76 C +ATOM 1242 C LEU A 77 -10.847 2.389 -21.754 1.00 1.92 C +ATOM 1243 O LEU A 77 -11.184 2.700 -22.877 1.00 2.09 O +ATOM 1244 CB LEU A 77 -8.499 2.489 -20.903 1.00 1.69 C +ATOM 1245 CG LEU A 77 -7.354 3.498 -20.979 1.00 1.72 C +ATOM 1246 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 1.72 C +ATOM 1247 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 2.01 C +ATOM 1248 H LEU A 77 -9.860 3.093 -18.823 1.00 1.49 H +ATOM 1249 HA LEU A 77 -9.707 4.186 -21.445 1.00 1.83 H +ATOM 1250 HB2 LEU A 77 -8.435 1.940 -19.974 1.00 1.59 H +ATOM 1251 HB3 LEU A 77 -8.425 1.802 -21.733 1.00 1.80 H +ATOM 1252 HG LEU A 77 -7.602 4.369 -20.388 1.00 1.71 H +ATOM 1253 HD11 LEU A 77 -6.215 1.793 -20.345 1.00 1.99 H +ATOM 1254 HD12 LEU A 77 -5.255 3.063 -21.106 1.00 2.11 H +ATOM 1255 HD13 LEU A 77 -5.854 3.274 -19.460 1.00 1.93 H +ATOM 1256 HD21 LEU A 77 -8.090 3.976 -22.938 1.00 2.56 H +ATOM 1257 HD22 LEU A 77 -6.646 4.873 -22.467 1.00 2.23 H +ATOM 1258 HD23 LEU A 77 -6.518 3.176 -22.929 1.00 2.13 H +ATOM 1259 N ILE A 78 -11.311 1.322 -21.144 1.00 1.89 N +ATOM 1260 CA ILE A 78 -12.300 0.399 -21.779 1.00 2.07 C +ATOM 1261 C ILE A 78 -11.558 -0.754 -22.449 1.00 2.17 C +ATOM 1262 O ILE A 78 -10.995 -0.618 -23.516 1.00 2.50 O +ATOM 1263 CB ILE A 78 -13.168 1.137 -22.798 1.00 2.14 C +ATOM 1264 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 2.13 C +ATOM 1265 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 2.25 C +ATOM 1266 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 2.38 C +ATOM 1267 H ILE A 78 -10.995 1.123 -20.241 1.00 1.77 H +ATOM 1268 HA ILE A 78 -12.939 -0.006 -21.005 1.00 2.26 H +ATOM 1269 HB ILE A 78 -12.565 1.442 -23.637 1.00 2.30 H +ATOM 1270 HG12 ILE A 78 -14.843 2.195 -21.975 1.00 2.27 H +ATOM 1271 HG13 ILE A 78 -13.310 2.523 -21.165 1.00 2.04 H +ATOM 1272 HG21 ILE A 78 -14.358 -0.639 -22.616 1.00 2.53 H +ATOM 1273 HG22 ILE A 78 -15.220 0.744 -23.290 1.00 2.38 H +ATOM 1274 HG23 ILE A 78 -14.055 -0.138 -24.279 1.00 2.56 H +ATOM 1275 HD11 ILE A 78 -13.193 3.293 -23.965 1.00 2.64 H +ATOM 1276 HD12 ILE A 78 -14.528 4.101 -23.144 1.00 2.66 H +ATOM 1277 HD13 ILE A 78 -12.883 4.269 -22.529 1.00 2.72 H +ATOM 1278 N LYS A 79 -11.549 -1.893 -21.810 1.00 2.25 N +ATOM 1279 CA LYS A 79 -10.841 -3.072 -22.378 1.00 2.60 C +ATOM 1280 C LYS A 79 -11.762 -3.803 -23.357 1.00 2.97 C +ATOM 1281 O LYS A 79 -12.865 -4.183 -23.019 1.00 3.27 O +ATOM 1282 CB LYS A 79 -10.447 -4.018 -21.239 1.00 2.80 C +ATOM 1283 CG LYS A 79 -9.148 -4.741 -21.598 1.00 3.38 C +ATOM 1284 CD LYS A 79 -8.868 -5.834 -20.563 1.00 3.94 C +ATOM 1285 CE LYS A 79 -8.755 -7.188 -21.268 1.00 4.56 C +ATOM 1286 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 5.22 N +ATOM 1287 H LYS A 79 -12.008 -1.968 -20.948 1.00 2.32 H +ATOM 1288 HA LYS A 79 -9.951 -2.744 -22.896 1.00 2.72 H +ATOM 1289 HB2 LYS A 79 -10.306 -3.447 -20.330 1.00 2.65 H +ATOM 1290 HB3 LYS A 79 -11.232 -4.745 -21.088 1.00 3.01 H +ATOM 1291 HG2 LYS A 79 -9.243 -5.186 -22.578 1.00 3.67 H +ATOM 1292 HG3 LYS A 79 -8.332 -4.034 -21.601 1.00 3.67 H +ATOM 1293 HD2 LYS A 79 -7.942 -5.615 -20.051 1.00 4.28 H +ATOM 1294 HD3 LYS A 79 -9.676 -5.869 -19.849 1.00 4.08 H +ATOM 1295 HE2 LYS A 79 -9.594 -7.317 -21.935 1.00 4.79 H +ATOM 1296 HE3 LYS A 79 -7.835 -7.223 -21.833 1.00 4.75 H +ATOM 1297 HZ1 LYS A 79 -9.627 -8.226 -19.688 1.00 5.33 H +ATOM 1298 HZ2 LYS A 79 -8.709 -9.199 -20.731 1.00 5.57 H +ATOM 1299 HZ3 LYS A 79 -7.929 -8.169 -19.627 1.00 5.57 H +ATOM 1300 N LYS A 80 -11.318 -3.995 -24.570 1.00 3.27 N +ATOM 1301 CA LYS A 80 -12.166 -4.698 -25.578 1.00 3.83 C +ATOM 1302 C LYS A 80 -13.409 -3.855 -25.871 1.00 4.00 C +ATOM 1303 O LYS A 80 -14.435 -4.438 -26.180 1.00 4.36 O +ATOM 1304 CB LYS A 80 -12.597 -6.068 -25.037 1.00 4.43 C +ATOM 1305 CG LYS A 80 -11.368 -6.950 -24.795 1.00 5.03 C +ATOM 1306 CD LYS A 80 -10.712 -7.300 -26.133 1.00 5.77 C +ATOM 1307 CE LYS A 80 -9.211 -7.513 -25.928 1.00 6.68 C +ATOM 1308 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 7.38 N +ATOM 1309 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 4.28 O +ATOM 1310 H LYS A 80 -10.426 -3.670 -24.821 1.00 3.31 H +ATOM 1311 HA LYS A 80 -11.603 -4.832 -26.490 1.00 4.17 H +ATOM 1312 HB2 LYS A 80 -13.133 -5.935 -24.109 1.00 4.57 H +ATOM 1313 HB3 LYS A 80 -13.243 -6.548 -25.756 1.00 4.74 H +ATOM 1314 HG2 LYS A 80 -10.659 -6.423 -24.173 1.00 5.27 H +ATOM 1315 HG3 LYS A 80 -11.672 -7.859 -24.299 1.00 5.11 H +ATOM 1316 HD2 LYS A 80 -11.156 -8.206 -26.523 1.00 5.83 H +ATOM 1317 HD3 LYS A 80 -10.867 -6.494 -26.833 1.00 5.97 H +ATOM 1318 HE2 LYS A 80 -8.712 -7.496 -26.886 1.00 6.97 H +ATOM 1319 HE3 LYS A 80 -8.818 -6.726 -25.303 1.00 6.87 H +ATOM 1320 HZ1 LYS A 80 -9.894 -9.262 -25.026 1.00 7.46 H +ATOM 1321 HZ2 LYS A 80 -8.467 -9.458 -25.926 1.00 7.83 H +ATOM 1322 HZ3 LYS A 80 -8.419 -8.696 -24.408 1.00 7.60 H TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/spanfiles/input_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/spanfiles/input_A.span index ab6653d..79e5de3 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/spanfiles/input_A.span +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/prepare/output/spanfiles/input_A.span @@ -2,5 +2,5 @@ Rosetta-generated spanfile from SpanningTopology object 2 80 antiparallel n2c - 12 33 + 12 32 52 73 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/input.pdb index d1803c3..55a924d 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/input.pdb @@ -1,1323 +1,1323 @@ -ATOM 1 N VAL A 1 1.977 -20.146 7.910 1.00 18.74 N -ATOM 2 CA VAL A 1 2.007 -18.799 8.547 1.00 18.11 C -ATOM 3 C VAL A 1 2.086 -18.955 10.069 1.00 17.30 C -ATOM 4 O VAL A 1 1.081 -18.998 10.750 1.00 17.26 O -ATOM 5 CB VAL A 1 0.734 -18.035 8.175 1.00 18.42 C -ATOM 6 CG1 VAL A 1 -0.484 -18.937 8.378 1.00 18.58 C -ATOM 7 CG2 VAL A 1 0.603 -16.796 9.064 1.00 18.59 C -ATOM 8 H1 VAL A 1 1.515 -20.822 8.553 1.00 18.63 H -ATOM 9 H2 VAL A 1 1.445 -20.096 7.018 1.00 19.07 H -ATOM 10 H3 VAL A 1 2.948 -20.460 7.716 1.00 19.08 H -ATOM 11 HA VAL A 1 2.869 -18.253 8.194 1.00 18.15 H -ATOM 12 HB VAL A 1 0.786 -17.732 7.139 1.00 18.56 H -ATOM 13 HG11 VAL A 1 -0.277 -19.650 9.164 1.00 18.56 H -ATOM 14 HG12 VAL A 1 -1.337 -18.334 8.655 1.00 18.83 H -ATOM 15 HG13 VAL A 1 -0.699 -19.465 7.461 1.00 18.58 H -ATOM 16 HG21 VAL A 1 1.546 -16.272 9.094 1.00 18.63 H -ATOM 17 HG22 VAL A 1 -0.159 -16.144 8.663 1.00 18.86 H -ATOM 18 HG23 VAL A 1 0.327 -17.098 10.064 1.00 18.54 H -ATOM 19 N GLN A 2 3.273 -19.042 10.608 1.00 16.78 N -ATOM 20 CA GLN A 2 3.412 -19.197 12.084 1.00 16.11 C -ATOM 21 C GLN A 2 3.867 -17.871 12.698 1.00 15.69 C -ATOM 22 O GLN A 2 4.286 -17.812 13.836 1.00 15.68 O -ATOM 23 CB GLN A 2 4.444 -20.288 12.389 1.00 16.10 C -ATOM 24 CG GLN A 2 4.604 -20.451 13.905 1.00 15.49 C -ATOM 25 CD GLN A 2 3.228 -20.447 14.576 1.00 15.09 C -ATOM 26 OE1 GLN A 2 2.458 -21.372 14.416 1.00 15.39 O -ATOM 27 NE2 GLN A 2 2.887 -19.435 15.327 1.00 14.56 N -ATOM 28 H GLN A 2 4.073 -19.007 10.042 1.00 16.93 H -ATOM 29 HA GLN A 2 2.459 -19.475 12.505 1.00 16.10 H -ATOM 30 HB2 GLN A 2 4.114 -21.223 11.959 1.00 16.14 H -ATOM 31 HB3 GLN A 2 5.395 -20.012 11.957 1.00 16.63 H -ATOM 32 HG2 GLN A 2 5.100 -21.388 14.113 1.00 15.60 H -ATOM 33 HG3 GLN A 2 5.195 -19.638 14.295 1.00 15.40 H -ATOM 34 HE21 GLN A 2 3.509 -18.689 15.456 1.00 14.40 H -ATOM 35 HE22 GLN A 2 2.009 -19.422 15.761 1.00 14.42 H -ATOM 36 N LEU A 3 3.783 -16.806 11.951 1.00 15.49 N -ATOM 37 CA LEU A 3 4.206 -15.482 12.490 1.00 15.26 C -ATOM 38 C LEU A 3 5.556 -15.625 13.197 1.00 14.77 C -ATOM 39 O LEU A 3 6.243 -16.616 13.050 1.00 14.94 O -ATOM 40 CB LEU A 3 3.158 -14.980 13.486 1.00 15.58 C -ATOM 41 CG LEU A 3 2.614 -13.629 13.020 1.00 15.97 C -ATOM 42 CD1 LEU A 3 1.623 -13.842 11.875 1.00 16.71 C -ATOM 43 CD2 LEU A 3 1.903 -12.939 14.187 1.00 16.05 C -ATOM 44 H LEU A 3 3.437 -16.877 11.038 1.00 15.59 H -ATOM 45 HA LEU A 3 4.298 -14.776 11.678 1.00 15.38 H -ATOM 46 HB2 LEU A 3 2.349 -15.694 13.547 1.00 15.74 H -ATOM 47 HB3 LEU A 3 3.613 -14.867 14.459 1.00 15.55 H -ATOM 48 HG LEU A 3 3.432 -13.010 12.678 1.00 15.84 H -ATOM 49 HD11 LEU A 3 0.848 -14.524 12.192 1.00 16.93 H -ATOM 50 HD12 LEU A 3 1.179 -12.895 11.603 1.00 16.80 H -ATOM 51 HD13 LEU A 3 2.141 -14.256 11.023 1.00 17.03 H -ATOM 52 HD21 LEU A 3 2.535 -12.966 15.061 1.00 16.08 H -ATOM 53 HD22 LEU A 3 1.695 -11.912 13.925 1.00 15.96 H -ATOM 54 HD23 LEU A 3 0.975 -13.452 14.397 1.00 16.30 H -ATOM 55 N ALA A 4 5.939 -14.642 13.965 1.00 14.32 N -ATOM 56 CA ALA A 4 7.244 -14.721 14.683 1.00 14.03 C -ATOM 57 C ALA A 4 7.267 -13.687 15.811 1.00 13.34 C -ATOM 58 O ALA A 4 8.305 -13.158 16.160 1.00 13.29 O -ATOM 59 CB ALA A 4 8.385 -14.436 13.704 1.00 14.31 C -ATOM 60 H ALA A 4 5.370 -13.851 14.071 1.00 14.30 H -ATOM 61 HA ALA A 4 7.366 -15.711 15.100 1.00 14.29 H -ATOM 62 HB1 ALA A 4 7.976 -14.199 12.734 1.00 14.32 H -ATOM 63 HB2 ALA A 4 8.967 -13.600 14.063 1.00 14.34 H -ATOM 64 HB3 ALA A 4 9.018 -15.307 13.625 1.00 14.64 H -ATOM 65 N HIS A 5 6.131 -13.396 16.383 1.00 12.98 N -ATOM 66 CA HIS A 5 6.084 -12.398 17.489 1.00 12.48 C -ATOM 67 C HIS A 5 4.837 -12.645 18.341 1.00 11.62 C -ATOM 68 O HIS A 5 4.066 -13.548 18.081 1.00 11.76 O -ATOM 69 CB HIS A 5 6.028 -10.986 16.902 1.00 12.81 C -ATOM 70 CG HIS A 5 7.415 -10.543 16.524 1.00 13.36 C -ATOM 71 ND1 HIS A 5 7.915 -10.692 15.239 1.00 13.57 N -ATOM 72 CD2 HIS A 5 8.416 -9.947 17.249 1.00 13.93 C -ATOM 73 CE1 HIS A 5 9.166 -10.198 15.231 1.00 14.23 C -ATOM 74 NE2 HIS A 5 9.522 -9.729 16.430 1.00 14.47 N -ATOM 75 H HIS A 5 5.308 -13.837 16.086 1.00 13.15 H -ATOM 76 HA HIS A 5 6.965 -12.498 18.104 1.00 12.71 H -ATOM 77 HB2 HIS A 5 5.398 -10.987 16.023 1.00 13.05 H -ATOM 78 HB3 HIS A 5 5.620 -10.307 17.636 1.00 12.61 H -ATOM 79 HD1 HIS A 5 7.444 -11.089 14.477 1.00 13.40 H -ATOM 80 HD2 HIS A 5 8.358 -9.688 18.296 1.00 14.07 H -ATOM 81 HE1 HIS A 5 9.805 -10.179 14.361 1.00 14.63 H -ATOM 82 N HIS A 6 4.630 -11.853 19.358 1.00 10.90 N -ATOM 83 CA HIS A 6 3.430 -12.052 20.219 1.00 10.21 C -ATOM 84 C HIS A 6 3.534 -11.174 21.469 1.00 9.43 C -ATOM 85 O HIS A 6 2.636 -10.421 21.785 1.00 9.32 O -ATOM 86 CB HIS A 6 3.347 -13.522 20.639 1.00 10.37 C -ATOM 87 CG HIS A 6 1.994 -14.072 20.284 1.00 10.53 C -ATOM 88 ND1 HIS A 6 0.921 -14.018 21.160 1.00 10.58 N -ATOM 89 CD2 HIS A 6 1.523 -14.689 19.152 1.00 10.88 C -ATOM 90 CE1 HIS A 6 -0.132 -14.588 20.547 1.00 10.97 C -ATOM 91 NE2 HIS A 6 0.180 -15.014 19.320 1.00 11.15 N -ATOM 92 H HIS A 6 5.262 -11.130 19.554 1.00 10.94 H -ATOM 93 HA HIS A 6 2.542 -11.788 19.666 1.00 10.38 H -ATOM 94 HB2 HIS A 6 4.112 -14.086 20.125 1.00 10.69 H -ATOM 95 HB3 HIS A 6 3.498 -13.599 21.705 1.00 10.30 H -ATOM 96 HD1 HIS A 6 0.929 -13.636 22.063 1.00 10.50 H -ATOM 97 HD2 HIS A 6 2.106 -14.891 18.265 1.00 11.09 H -ATOM 98 HE1 HIS A 6 -1.111 -14.689 20.993 1.00 11.25 H -ATOM 99 N PHE A 7 4.619 -11.273 22.187 1.00 9.11 N -ATOM 100 CA PHE A 7 4.773 -10.451 23.420 1.00 8.55 C -ATOM 101 C PHE A 7 4.893 -8.970 23.050 1.00 7.46 C -ATOM 102 O PHE A 7 5.435 -8.619 22.020 1.00 7.39 O -ATOM 103 CB PHE A 7 6.033 -10.891 24.170 1.00 8.98 C -ATOM 104 CG PHE A 7 5.657 -11.878 25.249 1.00 9.76 C -ATOM 105 CD1 PHE A 7 5.376 -13.208 24.914 1.00 10.29 C -ATOM 106 CD2 PHE A 7 5.589 -11.463 26.585 1.00 10.19 C -ATOM 107 CE1 PHE A 7 5.029 -14.123 25.914 1.00 11.19 C -ATOM 108 CE2 PHE A 7 5.241 -12.379 27.585 1.00 11.10 C -ATOM 109 CZ PHE A 7 4.960 -13.709 27.250 1.00 11.57 C -ATOM 110 H PHE A 7 5.330 -11.893 21.919 1.00 9.39 H -ATOM 111 HA PHE A 7 3.911 -10.596 24.055 1.00 8.86 H -ATOM 112 HB2 PHE A 7 6.719 -11.356 23.478 1.00 9.18 H -ATOM 113 HB3 PHE A 7 6.504 -10.028 24.620 1.00 8.77 H -ATOM 114 HD1 PHE A 7 5.429 -13.527 23.883 1.00 10.16 H -ATOM 115 HD2 PHE A 7 5.805 -10.437 26.844 1.00 9.98 H -ATOM 116 HE1 PHE A 7 4.812 -15.150 25.655 1.00 11.72 H -ATOM 117 HE2 PHE A 7 5.188 -12.060 28.616 1.00 11.57 H -ATOM 118 HZ PHE A 7 4.691 -14.416 28.021 1.00 12.35 H -ATOM 119 N SER A 8 4.395 -8.097 23.885 1.00 6.86 N -ATOM 120 CA SER A 8 4.483 -6.639 23.589 1.00 6.01 C -ATOM 121 C SER A 8 3.957 -6.358 22.180 1.00 5.07 C -ATOM 122 O SER A 8 3.632 -7.260 21.434 1.00 5.28 O -ATOM 123 CB SER A 8 5.941 -6.188 23.684 1.00 6.54 C -ATOM 124 OG SER A 8 6.596 -6.458 22.452 1.00 7.08 O -ATOM 125 H SER A 8 3.966 -8.401 24.713 1.00 7.15 H -ATOM 126 HA SER A 8 3.892 -6.091 24.308 1.00 6.02 H -ATOM 127 HB2 SER A 8 5.982 -5.131 23.882 1.00 6.79 H -ATOM 128 HB3 SER A 8 6.431 -6.722 24.489 1.00 6.61 H -ATOM 129 HG SER A 8 7.479 -6.083 22.496 1.00 7.42 H -ATOM 130 N GLU A 9 3.875 -5.108 21.812 1.00 4.41 N -ATOM 131 CA GLU A 9 3.376 -4.757 20.453 1.00 3.84 C -ATOM 132 C GLU A 9 4.446 -3.943 19.717 1.00 2.84 C -ATOM 133 O GLU A 9 4.515 -2.739 19.866 1.00 3.00 O -ATOM 134 CB GLU A 9 2.101 -3.919 20.579 1.00 4.55 C -ATOM 135 CG GLU A 9 1.094 -4.651 21.468 1.00 5.41 C -ATOM 136 CD GLU A 9 -0.327 -4.282 21.038 1.00 6.00 C -ATOM 137 OE1 GLU A 9 -0.841 -4.934 20.143 1.00 6.49 O -ATOM 138 OE2 GLU A 9 -0.877 -3.355 21.609 1.00 6.28 O -ATOM 139 H GLU A 9 4.144 -4.398 22.431 1.00 4.61 H -ATOM 140 HA GLU A 9 3.161 -5.659 19.901 1.00 4.12 H -ATOM 141 HB2 GLU A 9 2.341 -2.961 21.018 1.00 4.86 H -ATOM 142 HB3 GLU A 9 1.671 -3.768 19.600 1.00 4.60 H -ATOM 143 HG2 GLU A 9 1.236 -5.716 21.372 1.00 5.70 H -ATOM 144 HG3 GLU A 9 1.243 -4.358 22.497 1.00 5.72 H -ATOM 145 N PRO A 10 5.253 -4.628 18.946 1.00 2.18 N -ATOM 146 CA PRO A 10 6.334 -3.986 18.178 1.00 1.51 C -ATOM 147 C PRO A 10 5.758 -2.957 17.199 1.00 1.23 C -ATOM 148 O PRO A 10 5.201 -3.301 16.174 1.00 1.13 O -ATOM 149 CB PRO A 10 7.012 -5.134 17.418 1.00 1.87 C -ATOM 150 CG PRO A 10 6.264 -6.443 17.778 1.00 2.49 C -ATOM 151 CD PRO A 10 5.151 -6.088 18.776 1.00 2.65 C -ATOM 152 HA PRO A 10 7.042 -3.519 18.844 1.00 1.77 H -ATOM 153 HB2 PRO A 10 6.953 -4.952 16.355 1.00 2.10 H -ATOM 154 HB3 PRO A 10 8.045 -5.214 17.721 1.00 2.10 H -ATOM 155 HG2 PRO A 10 5.833 -6.875 16.885 1.00 3.08 H -ATOM 156 HG3 PRO A 10 6.947 -7.145 18.231 1.00 2.65 H -ATOM 157 HD2 PRO A 10 4.185 -6.357 18.373 1.00 3.25 H -ATOM 158 HD3 PRO A 10 5.319 -6.583 19.720 1.00 2.87 H -ATOM 159 N GLU A 11 5.894 -1.696 17.506 1.00 1.29 N -ATOM 160 CA GLU A 11 5.360 -0.649 16.593 1.00 1.13 C -ATOM 161 C GLU A 11 5.906 -0.884 15.184 1.00 1.00 C -ATOM 162 O GLU A 11 5.211 -0.722 14.201 1.00 0.97 O -ATOM 163 CB GLU A 11 5.797 0.732 17.088 1.00 1.32 C -ATOM 164 CG GLU A 11 5.006 1.098 18.344 1.00 1.94 C -ATOM 165 CD GLU A 11 5.846 0.789 19.585 1.00 2.47 C -ATOM 166 OE1 GLU A 11 6.609 1.651 19.989 1.00 2.89 O -ATOM 167 OE2 GLU A 11 5.711 -0.304 20.110 1.00 3.01 O -ATOM 168 H GLU A 11 6.348 -1.439 18.336 1.00 1.55 H -ATOM 169 HA GLU A 11 4.281 -0.700 16.574 1.00 1.09 H -ATOM 170 HB2 GLU A 11 6.853 0.714 17.318 1.00 1.69 H -ATOM 171 HB3 GLU A 11 5.609 1.467 16.319 1.00 1.69 H -ATOM 172 HG2 GLU A 11 4.765 2.151 18.324 1.00 2.39 H -ATOM 173 HG3 GLU A 11 4.094 0.521 18.377 1.00 2.45 H -ATOM 174 N ILE A 12 7.149 -1.267 15.078 1.00 0.99 N -ATOM 175 CA ILE A 12 7.744 -1.515 13.743 1.00 0.91 C -ATOM 176 C ILE A 12 7.029 -2.686 13.067 1.00 0.80 C -ATOM 177 O ILE A 12 6.693 -2.628 11.903 1.00 0.74 O -ATOM 178 CB ILE A 12 9.224 -1.851 13.914 1.00 1.03 C -ATOM 179 CG1 ILE A 12 9.903 -1.793 12.553 1.00 1.05 C -ATOM 180 CG2 ILE A 12 9.370 -3.258 14.499 1.00 1.28 C -ATOM 181 CD1 ILE A 12 10.204 -0.335 12.203 1.00 1.48 C -ATOM 182 H ILE A 12 7.696 -1.391 15.879 1.00 1.08 H -ATOM 183 HA ILE A 12 7.645 -0.629 13.133 1.00 0.89 H -ATOM 184 HB ILE A 12 9.682 -1.134 14.580 1.00 1.22 H -ATOM 185 HG12 ILE A 12 10.822 -2.356 12.586 1.00 1.37 H -ATOM 186 HG13 ILE A 12 9.246 -2.212 11.808 1.00 1.18 H -ATOM 187 HG21 ILE A 12 8.799 -3.329 15.413 1.00 1.67 H -ATOM 188 HG22 ILE A 12 9.003 -3.984 13.789 1.00 1.67 H -ATOM 189 HG23 ILE A 12 10.412 -3.455 14.709 1.00 1.72 H -ATOM 190 HD11 ILE A 12 9.686 0.312 12.896 1.00 1.86 H -ATOM 191 HD12 ILE A 12 11.267 -0.160 12.271 1.00 2.05 H -ATOM 192 HD13 ILE A 12 9.868 -0.129 11.198 1.00 1.87 H -ATOM 193 N THR A 13 6.797 -3.752 13.784 1.00 0.81 N -ATOM 194 CA THR A 13 6.109 -4.920 13.169 1.00 0.76 C -ATOM 195 C THR A 13 4.755 -4.480 12.607 1.00 0.68 C -ATOM 196 O THR A 13 4.403 -4.808 11.492 1.00 0.62 O -ATOM 197 CB THR A 13 5.898 -6.012 14.221 1.00 0.86 C -ATOM 198 OG1 THR A 13 5.198 -5.471 15.331 1.00 1.35 O -ATOM 199 CG2 THR A 13 7.256 -6.548 14.679 1.00 1.19 C -ATOM 200 H THR A 13 7.079 -3.784 14.722 1.00 0.89 H -ATOM 201 HA THR A 13 6.717 -5.311 12.366 1.00 0.74 H -ATOM 202 HB THR A 13 5.324 -6.818 13.793 1.00 1.13 H -ATOM 203 HG1 THR A 13 4.259 -5.486 15.126 1.00 1.84 H -ATOM 204 HG21 THR A 13 7.912 -5.721 14.906 1.00 1.65 H -ATOM 205 HG22 THR A 13 7.125 -7.157 15.562 1.00 1.61 H -ATOM 206 HG23 THR A 13 7.690 -7.146 13.891 1.00 1.72 H -ATOM 207 N LEU A 14 3.989 -3.741 13.366 1.00 0.72 N -ATOM 208 CA LEU A 14 2.661 -3.295 12.851 1.00 0.69 C -ATOM 209 C LEU A 14 2.863 -2.317 11.695 1.00 0.58 C -ATOM 210 O LEU A 14 2.247 -2.445 10.656 1.00 0.50 O -ATOM 211 CB LEU A 14 1.870 -2.603 13.967 1.00 0.82 C -ATOM 212 CG LEU A 14 0.368 -2.710 13.679 1.00 0.88 C -ATOM 213 CD1 LEU A 14 -0.392 -1.718 14.562 1.00 0.87 C -ATOM 214 CD2 LEU A 14 0.100 -2.385 12.207 1.00 1.02 C -ATOM 215 H LEU A 14 4.284 -3.483 14.266 1.00 0.80 H -ATOM 216 HA LEU A 14 2.106 -4.150 12.495 1.00 0.67 H -ATOM 217 HB2 LEU A 14 2.089 -3.078 14.913 1.00 1.22 H -ATOM 218 HB3 LEU A 14 2.151 -1.562 14.014 1.00 0.83 H -ATOM 219 HG LEU A 14 0.032 -3.714 13.896 1.00 1.30 H -ATOM 220 HD11 LEU A 14 0.237 -1.411 15.384 1.00 1.27 H -ATOM 221 HD12 LEU A 14 -0.667 -0.852 13.975 1.00 1.28 H -ATOM 222 HD13 LEU A 14 -1.284 -2.190 14.946 1.00 1.34 H -ATOM 223 HD21 LEU A 14 0.664 -1.509 11.922 1.00 1.44 H -ATOM 224 HD22 LEU A 14 0.400 -3.222 11.594 1.00 1.64 H -ATOM 225 HD23 LEU A 14 -0.954 -2.195 12.067 1.00 1.43 H -ATOM 226 N ILE A 15 3.722 -1.345 11.849 1.00 0.62 N -ATOM 227 CA ILE A 15 3.939 -0.392 10.728 1.00 0.57 C -ATOM 228 C ILE A 15 4.371 -1.190 9.498 1.00 0.45 C -ATOM 229 O ILE A 15 3.837 -1.029 8.418 1.00 0.38 O -ATOM 230 CB ILE A 15 5.030 0.615 11.104 1.00 0.69 C -ATOM 231 CG1 ILE A 15 4.544 1.476 12.272 1.00 0.91 C -ATOM 232 CG2 ILE A 15 5.332 1.512 9.902 1.00 0.76 C -ATOM 233 CD1 ILE A 15 5.731 2.218 12.889 1.00 1.10 C -ATOM 234 H ILE A 15 4.223 -1.251 12.687 1.00 0.71 H -ATOM 235 HA ILE A 15 3.018 0.132 10.515 1.00 0.58 H -ATOM 236 HB ILE A 15 5.927 0.087 11.392 1.00 0.63 H -ATOM 237 HG12 ILE A 15 3.818 2.192 11.913 1.00 0.92 H -ATOM 238 HG13 ILE A 15 4.088 0.846 13.021 1.00 0.98 H -ATOM 239 HG21 ILE A 15 4.408 1.911 9.510 1.00 1.24 H -ATOM 240 HG22 ILE A 15 5.973 2.324 10.211 1.00 1.27 H -ATOM 241 HG23 ILE A 15 5.828 0.933 9.136 1.00 1.35 H -ATOM 242 HD11 ILE A 15 6.365 2.600 12.102 1.00 1.66 H -ATOM 243 HD12 ILE A 15 5.370 3.040 13.490 1.00 1.56 H -ATOM 244 HD13 ILE A 15 6.296 1.540 13.509 1.00 1.37 H -ATOM 245 N ILE A 16 5.314 -2.078 9.666 1.00 0.44 N -ATOM 246 CA ILE A 16 5.759 -2.919 8.523 1.00 0.36 C -ATOM 247 C ILE A 16 4.552 -3.681 7.978 1.00 0.28 C -ATOM 248 O ILE A 16 4.316 -3.731 6.787 1.00 0.25 O -ATOM 249 CB ILE A 16 6.818 -3.915 8.999 1.00 0.39 C -ATOM 250 CG1 ILE A 16 8.110 -3.165 9.328 1.00 1.21 C -ATOM 251 CG2 ILE A 16 7.089 -4.937 7.894 1.00 1.18 C -ATOM 252 CD1 ILE A 16 9.125 -4.138 9.932 1.00 1.58 C -ATOM 253 H ILE A 16 5.713 -2.207 10.552 1.00 0.50 H -ATOM 254 HA ILE A 16 6.173 -2.291 7.748 1.00 0.38 H -ATOM 255 HB ILE A 16 6.460 -4.426 9.882 1.00 0.83 H -ATOM 256 HG12 ILE A 16 8.516 -2.734 8.425 1.00 1.92 H -ATOM 257 HG13 ILE A 16 7.901 -2.381 10.039 1.00 1.86 H -ATOM 258 HG21 ILE A 16 6.422 -4.757 7.065 1.00 1.76 H -ATOM 259 HG22 ILE A 16 8.112 -4.844 7.561 1.00 1.82 H -ATOM 260 HG23 ILE A 16 6.926 -5.934 8.278 1.00 1.61 H -ATOM 261 HD11 ILE A 16 9.211 -5.008 9.297 1.00 2.05 H -ATOM 262 HD12 ILE A 16 10.086 -3.653 10.011 1.00 2.07 H -ATOM 263 HD13 ILE A 16 8.792 -4.441 10.913 1.00 2.00 H -ATOM 264 N PHE A 17 3.788 -4.280 8.853 1.00 0.31 N -ATOM 265 CA PHE A 17 2.593 -5.047 8.407 1.00 0.32 C -ATOM 266 C PHE A 17 1.673 -4.133 7.601 1.00 0.30 C -ATOM 267 O PHE A 17 1.209 -4.489 6.538 1.00 0.30 O -ATOM 268 CB PHE A 17 1.833 -5.584 9.624 1.00 0.41 C -ATOM 269 CG PHE A 17 2.409 -6.919 10.031 1.00 0.80 C -ATOM 270 CD1 PHE A 17 3.795 -7.119 10.020 1.00 1.52 C -ATOM 271 CD2 PHE A 17 1.556 -7.960 10.416 1.00 1.66 C -ATOM 272 CE1 PHE A 17 4.328 -8.359 10.396 1.00 1.97 C -ATOM 273 CE2 PHE A 17 2.087 -9.200 10.792 1.00 2.09 C -ATOM 274 CZ PHE A 17 3.473 -9.399 10.781 1.00 1.95 C -ATOM 275 H PHE A 17 4.006 -4.224 9.807 1.00 0.36 H -ATOM 276 HA PHE A 17 2.908 -5.874 7.787 1.00 0.32 H -ATOM 277 HB2 PHE A 17 1.924 -4.887 10.445 1.00 0.65 H -ATOM 278 HB3 PHE A 17 0.791 -5.706 9.371 1.00 0.64 H -ATOM 279 HD1 PHE A 17 4.454 -6.316 9.723 1.00 2.18 H -ATOM 280 HD2 PHE A 17 0.487 -7.806 10.425 1.00 2.34 H -ATOM 281 HE1 PHE A 17 5.396 -8.512 10.388 1.00 2.73 H -ATOM 282 HE2 PHE A 17 1.428 -10.002 11.089 1.00 2.89 H -ATOM 283 HZ PHE A 17 3.883 -10.356 11.071 1.00 2.41 H -ATOM 284 N GLY A 18 1.402 -2.954 8.093 1.00 0.31 N -ATOM 285 CA GLY A 18 0.509 -2.033 7.335 1.00 0.32 C -ATOM 286 C GLY A 18 1.097 -1.806 5.941 1.00 0.26 C -ATOM 287 O GLY A 18 0.409 -1.907 4.944 1.00 0.26 O -ATOM 288 H GLY A 18 1.783 -2.678 8.955 1.00 0.34 H -ATOM 289 HA2 GLY A 18 -0.474 -2.475 7.247 1.00 0.36 H -ATOM 290 HA3 GLY A 18 0.438 -1.089 7.852 1.00 0.35 H -ATOM 291 N VAL A 19 2.370 -1.519 5.857 1.00 0.23 N -ATOM 292 CA VAL A 19 2.993 -1.310 4.520 1.00 0.22 C -ATOM 293 C VAL A 19 2.775 -2.567 3.676 1.00 0.21 C -ATOM 294 O VAL A 19 2.355 -2.505 2.537 1.00 0.22 O -ATOM 295 CB VAL A 19 4.490 -1.052 4.693 1.00 0.24 C -ATOM 296 CG1 VAL A 19 5.135 -0.833 3.324 1.00 0.28 C -ATOM 297 CG2 VAL A 19 4.688 0.198 5.555 1.00 0.28 C -ATOM 298 H VAL A 19 2.914 -1.455 6.670 1.00 0.24 H -ATOM 299 HA VAL A 19 2.535 -0.465 4.032 1.00 0.24 H -ATOM 300 HB VAL A 19 4.949 -1.901 5.176 1.00 0.25 H -ATOM 301 HG11 VAL A 19 4.415 -1.047 2.547 1.00 1.07 H -ATOM 302 HG12 VAL A 19 5.461 0.194 3.239 1.00 1.05 H -ATOM 303 HG13 VAL A 19 5.986 -1.490 3.217 1.00 1.05 H -ATOM 304 HG21 VAL A 19 3.803 0.365 6.153 1.00 1.03 H -ATOM 305 HG22 VAL A 19 5.539 0.058 6.204 1.00 1.10 H -ATOM 306 HG23 VAL A 19 4.857 1.053 4.918 1.00 1.03 H -ATOM 307 N MET A 20 3.045 -3.712 4.243 1.00 0.22 N -ATOM 308 CA MET A 20 2.843 -4.984 3.499 1.00 0.25 C -ATOM 309 C MET A 20 1.385 -5.082 3.047 1.00 0.27 C -ATOM 310 O MET A 20 1.094 -5.404 1.912 1.00 0.28 O -ATOM 311 CB MET A 20 3.179 -6.165 4.411 1.00 0.29 C -ATOM 312 CG MET A 20 4.695 -6.242 4.605 1.00 0.36 C -ATOM 313 SD MET A 20 5.182 -7.958 4.906 1.00 1.07 S -ATOM 314 CE MET A 20 6.855 -7.841 4.225 1.00 1.70 C -ATOM 315 H MET A 20 3.371 -3.734 5.167 1.00 0.22 H -ATOM 316 HA MET A 20 3.489 -5.003 2.634 1.00 0.26 H -ATOM 317 HB2 MET A 20 2.699 -6.028 5.370 1.00 0.33 H -ATOM 318 HB3 MET A 20 2.828 -7.082 3.961 1.00 0.34 H -ATOM 319 HG2 MET A 20 5.189 -5.878 3.715 1.00 0.70 H -ATOM 320 HG3 MET A 20 4.982 -5.632 5.449 1.00 0.72 H -ATOM 321 HE1 MET A 20 6.970 -6.893 3.720 1.00 2.15 H -ATOM 322 HE2 MET A 20 7.575 -7.912 5.023 1.00 2.21 H -ATOM 323 HE3 MET A 20 7.014 -8.650 3.525 1.00 2.23 H -ATOM 324 N ALA A 21 0.466 -4.812 3.935 1.00 0.28 N -ATOM 325 CA ALA A 21 -0.974 -4.895 3.571 1.00 0.32 C -ATOM 326 C ALA A 21 -1.260 -3.974 2.378 1.00 0.30 C -ATOM 327 O ALA A 21 -1.908 -4.371 1.430 1.00 0.30 O -ATOM 328 CB ALA A 21 -1.846 -4.503 4.774 1.00 0.37 C -ATOM 329 H ALA A 21 0.726 -4.559 4.845 1.00 0.29 H -ATOM 330 HA ALA A 21 -1.204 -5.912 3.288 1.00 0.34 H -ATOM 331 HB1 ALA A 21 -1.239 -4.012 5.520 1.00 1.10 H -ATOM 332 HB2 ALA A 21 -2.636 -3.839 4.453 1.00 1.10 H -ATOM 333 HB3 ALA A 21 -2.282 -5.395 5.202 1.00 1.06 H -ATOM 334 N GLY A 22 -0.786 -2.752 2.399 1.00 0.28 N -ATOM 335 CA GLY A 22 -1.050 -1.852 1.243 1.00 0.27 C -ATOM 336 C GLY A 22 -0.520 -2.515 -0.026 1.00 0.23 C -ATOM 337 O GLY A 22 -1.197 -2.587 -1.033 1.00 0.23 O -ATOM 338 H GLY A 22 -0.254 -2.433 3.157 1.00 0.28 H -ATOM 339 HA2 GLY A 22 -2.114 -1.684 1.151 1.00 0.30 H -ATOM 340 HA3 GLY A 22 -0.545 -0.911 1.393 1.00 0.28 H -ATOM 341 N VAL A 23 0.686 -3.017 0.019 1.00 0.21 N -ATOM 342 CA VAL A 23 1.251 -3.691 -1.181 1.00 0.19 C -ATOM 343 C VAL A 23 0.327 -4.839 -1.600 1.00 0.20 C -ATOM 344 O VAL A 23 -0.005 -4.990 -2.760 1.00 0.19 O -ATOM 345 CB VAL A 23 2.639 -4.246 -0.852 1.00 0.22 C -ATOM 346 CG1 VAL A 23 3.114 -5.144 -1.996 1.00 0.28 C -ATOM 347 CG2 VAL A 23 3.622 -3.087 -0.673 1.00 0.27 C -ATOM 348 H VAL A 23 1.213 -2.955 0.845 1.00 0.21 H -ATOM 349 HA VAL A 23 1.330 -2.980 -1.990 1.00 0.19 H -ATOM 350 HB VAL A 23 2.588 -4.822 0.061 1.00 0.26 H -ATOM 351 HG11 VAL A 23 2.853 -4.691 -2.941 1.00 1.04 H -ATOM 352 HG12 VAL A 23 4.186 -5.263 -1.938 1.00 1.03 H -ATOM 353 HG13 VAL A 23 2.639 -6.110 -1.917 1.00 1.04 H -ATOM 354 HG21 VAL A 23 3.137 -2.160 -0.938 1.00 1.09 H -ATOM 355 HG22 VAL A 23 3.944 -3.044 0.357 1.00 1.03 H -ATOM 356 HG23 VAL A 23 4.479 -3.241 -1.311 1.00 1.03 H -ATOM 357 N ILE A 24 -0.088 -5.653 -0.664 1.00 0.23 N -ATOM 358 CA ILE A 24 -0.986 -6.792 -1.006 1.00 0.27 C -ATOM 359 C ILE A 24 -2.252 -6.275 -1.693 1.00 0.27 C -ATOM 360 O ILE A 24 -2.670 -6.793 -2.710 1.00 0.28 O -ATOM 361 CB ILE A 24 -1.376 -7.535 0.274 1.00 0.33 C -ATOM 362 CG1 ILE A 24 -0.112 -8.060 0.964 1.00 0.67 C -ATOM 363 CG2 ILE A 24 -2.290 -8.711 -0.075 1.00 0.75 C -ATOM 364 CD1 ILE A 24 0.457 -9.234 0.165 1.00 1.20 C -ATOM 365 H ILE A 24 0.196 -5.517 0.265 1.00 0.25 H -ATOM 366 HA ILE A 24 -0.469 -7.470 -1.669 1.00 0.28 H -ATOM 367 HB ILE A 24 -1.896 -6.860 0.938 1.00 0.41 H -ATOM 368 HG12 ILE A 24 0.622 -7.270 1.018 1.00 1.29 H -ATOM 369 HG13 ILE A 24 -0.359 -8.393 1.961 1.00 1.22 H -ATOM 370 HG21 ILE A 24 -2.186 -8.949 -1.123 1.00 1.13 H -ATOM 371 HG22 ILE A 24 -2.016 -9.569 0.518 1.00 1.25 H -ATOM 372 HG23 ILE A 24 -3.316 -8.443 0.133 1.00 1.43 H -ATOM 373 HD11 ILE A 24 0.259 -9.084 -0.886 1.00 1.91 H -ATOM 374 HD12 ILE A 24 1.524 -9.294 0.324 1.00 1.60 H -ATOM 375 HD13 ILE A 24 -0.008 -10.152 0.492 1.00 1.67 H -ATOM 376 N GLY A 25 -2.872 -5.259 -1.153 1.00 0.29 N -ATOM 377 CA GLY A 25 -4.109 -4.730 -1.790 1.00 0.33 C -ATOM 378 C GLY A 25 -3.802 -4.330 -3.232 1.00 0.30 C -ATOM 379 O GLY A 25 -4.519 -4.680 -4.149 1.00 0.33 O -ATOM 380 H GLY A 25 -2.529 -4.850 -0.332 1.00 0.30 H -ATOM 381 HA2 GLY A 25 -4.875 -5.493 -1.780 1.00 0.38 H -ATOM 382 HA3 GLY A 25 -4.454 -3.864 -1.246 1.00 0.37 H -ATOM 383 N THR A 26 -2.734 -3.611 -3.444 1.00 0.25 N -ATOM 384 CA THR A 26 -2.380 -3.205 -4.832 1.00 0.25 C -ATOM 385 C THR A 26 -2.230 -4.457 -5.696 1.00 0.26 C -ATOM 386 O THR A 26 -2.755 -4.540 -6.789 1.00 0.32 O -ATOM 387 CB THR A 26 -1.061 -2.430 -4.822 1.00 0.24 C -ATOM 388 OG1 THR A 26 -1.196 -1.278 -4.002 1.00 0.34 O -ATOM 389 CG2 THR A 26 -0.708 -2.010 -6.250 1.00 0.31 C -ATOM 390 H THR A 26 -2.162 -3.346 -2.693 1.00 0.24 H -ATOM 391 HA THR A 26 -3.162 -2.580 -5.236 1.00 0.31 H -ATOM 392 HB THR A 26 -0.276 -3.060 -4.431 1.00 0.22 H -ATOM 393 HG1 THR A 26 -1.208 -1.564 -3.085 1.00 0.40 H -ATOM 394 HG21 THR A 26 -1.096 -2.740 -6.946 1.00 1.10 H -ATOM 395 HG22 THR A 26 -1.145 -1.045 -6.461 1.00 0.98 H -ATOM 396 HG23 THR A 26 0.365 -1.948 -6.355 1.00 1.03 H -ATOM 397 N ILE A 27 -1.515 -5.434 -5.206 1.00 0.24 N -ATOM 398 CA ILE A 27 -1.326 -6.689 -5.986 1.00 0.33 C -ATOM 399 C ILE A 27 -2.690 -7.293 -6.318 1.00 0.39 C -ATOM 400 O ILE A 27 -2.953 -7.678 -7.440 1.00 0.47 O -ATOM 401 CB ILE A 27 -0.511 -7.683 -5.157 1.00 0.37 C -ATOM 402 CG1 ILE A 27 0.911 -7.145 -4.975 1.00 0.39 C -ATOM 403 CG2 ILE A 27 -0.456 -9.030 -5.882 1.00 0.47 C -ATOM 404 CD1 ILE A 27 1.767 -8.192 -4.261 1.00 0.49 C -ATOM 405 H ILE A 27 -1.104 -5.342 -4.322 1.00 0.22 H -ATOM 406 HA ILE A 27 -0.798 -6.467 -6.902 1.00 0.38 H -ATOM 407 HB ILE A 27 -0.976 -7.813 -4.191 1.00 0.37 H -ATOM 408 HG12 ILE A 27 1.339 -6.927 -5.942 1.00 0.46 H -ATOM 409 HG13 ILE A 27 0.881 -6.243 -4.383 1.00 0.38 H -ATOM 410 HG21 ILE A 27 -0.940 -8.941 -6.843 1.00 1.04 H -ATOM 411 HG22 ILE A 27 0.575 -9.321 -6.021 1.00 1.19 H -ATOM 412 HG23 ILE A 27 -0.964 -9.778 -5.290 1.00 1.15 H -ATOM 413 HD11 ILE A 27 1.140 -8.798 -3.625 1.00 1.14 H -ATOM 414 HD12 ILE A 27 2.251 -8.821 -4.994 1.00 1.07 H -ATOM 415 HD13 ILE A 27 2.516 -7.696 -3.661 1.00 1.21 H -ATOM 416 N LEU A 28 -3.563 -7.381 -5.350 1.00 0.39 N -ATOM 417 CA LEU A 28 -4.907 -7.959 -5.611 1.00 0.49 C -ATOM 418 C LEU A 28 -5.577 -7.159 -6.737 1.00 0.53 C -ATOM 419 O LEU A 28 -6.112 -7.717 -7.674 1.00 0.62 O -ATOM 420 CB LEU A 28 -5.732 -7.916 -4.304 1.00 0.53 C -ATOM 421 CG LEU A 28 -7.091 -7.236 -4.515 1.00 0.59 C -ATOM 422 CD1 LEU A 28 -7.998 -8.148 -5.343 1.00 0.68 C -ATOM 423 CD2 LEU A 28 -7.743 -6.973 -3.156 1.00 0.65 C -ATOM 424 H LEU A 28 -3.333 -7.063 -4.452 1.00 0.34 H -ATOM 425 HA LEU A 28 -4.794 -8.986 -5.928 1.00 0.55 H -ATOM 426 HB2 LEU A 28 -5.894 -8.926 -3.958 1.00 0.60 H -ATOM 427 HB3 LEU A 28 -5.177 -7.372 -3.555 1.00 0.54 H -ATOM 428 HG LEU A 28 -6.947 -6.301 -5.035 1.00 0.61 H -ATOM 429 HD11 LEU A 28 -7.500 -8.412 -6.265 1.00 1.18 H -ATOM 430 HD12 LEU A 28 -8.217 -9.045 -4.783 1.00 1.37 H -ATOM 431 HD13 LEU A 28 -8.919 -7.630 -5.568 1.00 1.06 H -ATOM 432 HD21 LEU A 28 -7.123 -7.383 -2.373 1.00 1.31 H -ATOM 433 HD22 LEU A 28 -7.850 -5.908 -3.009 1.00 1.06 H -ATOM 434 HD23 LEU A 28 -8.716 -7.440 -3.126 1.00 1.25 H -ATOM 435 N LEU A 29 -5.544 -5.855 -6.659 1.00 0.49 N -ATOM 436 CA LEU A 29 -6.173 -5.037 -7.737 1.00 0.57 C -ATOM 437 C LEU A 29 -5.539 -5.411 -9.078 1.00 0.60 C -ATOM 438 O LEU A 29 -6.221 -5.645 -10.055 1.00 0.71 O -ATOM 439 CB LEU A 29 -5.939 -3.548 -7.460 1.00 0.56 C -ATOM 440 CG LEU A 29 -6.793 -2.713 -8.415 1.00 1.24 C -ATOM 441 CD1 LEU A 29 -8.246 -2.715 -7.935 1.00 1.76 C -ATOM 442 CD2 LEU A 29 -6.269 -1.275 -8.449 1.00 1.92 C -ATOM 443 H LEU A 29 -5.099 -5.419 -5.900 1.00 0.44 H -ATOM 444 HA LEU A 29 -7.235 -5.236 -7.772 1.00 0.65 H -ATOM 445 HB2 LEU A 29 -6.215 -3.323 -6.439 1.00 0.97 H -ATOM 446 HB3 LEU A 29 -4.897 -3.312 -7.612 1.00 0.94 H -ATOM 447 HG LEU A 29 -6.743 -3.140 -9.407 1.00 1.94 H -ATOM 448 HD11 LEU A 29 -8.540 -3.723 -7.684 1.00 2.23 H -ATOM 449 HD12 LEU A 29 -8.337 -2.085 -7.062 1.00 2.17 H -ATOM 450 HD13 LEU A 29 -8.885 -2.338 -8.720 1.00 2.19 H -ATOM 451 HD21 LEU A 29 -5.702 -1.076 -7.551 1.00 2.33 H -ATOM 452 HD22 LEU A 29 -5.634 -1.142 -9.312 1.00 2.54 H -ATOM 453 HD23 LEU A 29 -7.102 -0.590 -8.507 1.00 2.27 H -ATOM 454 N ILE A 30 -4.237 -5.478 -9.125 1.00 0.55 N -ATOM 455 CA ILE A 30 -3.552 -5.848 -10.395 1.00 0.65 C -ATOM 456 C ILE A 30 -4.056 -7.209 -10.872 1.00 0.75 C -ATOM 457 O ILE A 30 -4.380 -7.388 -12.029 1.00 0.87 O -ATOM 458 CB ILE A 30 -2.042 -5.913 -10.164 1.00 0.63 C -ATOM 459 CG1 ILE A 30 -1.537 -4.540 -9.717 1.00 0.58 C -ATOM 460 CG2 ILE A 30 -1.343 -6.313 -11.466 1.00 0.75 C -ATOM 461 CD1 ILE A 30 -0.119 -4.673 -9.160 1.00 0.66 C -ATOM 462 H ILE A 30 -3.708 -5.292 -8.322 1.00 0.47 H -ATOM 463 HA ILE A 30 -3.770 -5.108 -11.151 1.00 0.70 H -ATOM 464 HB ILE A 30 -1.826 -6.646 -9.400 1.00 0.62 H -ATOM 465 HG12 ILE A 30 -1.532 -3.865 -10.561 1.00 0.65 H -ATOM 466 HG13 ILE A 30 -2.187 -4.150 -8.948 1.00 0.53 H -ATOM 467 HG21 ILE A 30 -1.985 -6.973 -12.031 1.00 1.21 H -ATOM 468 HG22 ILE A 30 -1.135 -5.428 -12.049 1.00 1.08 H -ATOM 469 HG23 ILE A 30 -0.418 -6.820 -11.236 1.00 1.31 H -ATOM 470 HD11 ILE A 30 0.153 -5.717 -9.113 1.00 0.98 H -ATOM 471 HD12 ILE A 30 0.572 -4.152 -9.807 1.00 1.16 H -ATOM 472 HD13 ILE A 30 -0.077 -4.245 -8.170 1.00 1.31 H -ATOM 473 N SER A 31 -4.124 -8.174 -9.996 1.00 0.73 N -ATOM 474 CA SER A 31 -4.605 -9.512 -10.429 1.00 0.87 C -ATOM 475 C SER A 31 -5.996 -9.364 -11.040 1.00 0.94 C -ATOM 476 O SER A 31 -6.270 -9.871 -12.108 1.00 1.07 O -ATOM 477 CB SER A 31 -4.675 -10.449 -9.221 1.00 0.86 C -ATOM 478 OG SER A 31 -3.387 -10.546 -8.627 1.00 1.29 O -ATOM 479 H SER A 31 -3.858 -8.019 -9.066 1.00 0.65 H -ATOM 480 HA SER A 31 -3.928 -9.920 -11.165 1.00 0.95 H -ATOM 481 HB2 SER A 31 -5.370 -10.056 -8.498 1.00 1.00 H -ATOM 482 HB3 SER A 31 -5.009 -11.426 -9.544 1.00 1.28 H -ATOM 483 HG SER A 31 -3.502 -10.592 -7.676 1.00 1.40 H -ATOM 484 N TYR A 32 -6.878 -8.659 -10.385 1.00 0.89 N -ATOM 485 CA TYR A 32 -8.238 -8.478 -10.963 1.00 1.00 C -ATOM 486 C TYR A 32 -8.114 -7.836 -12.349 1.00 1.05 C -ATOM 487 O TYR A 32 -8.709 -8.288 -13.308 1.00 1.18 O -ATOM 488 CB TYR A 32 -9.069 -7.574 -10.050 1.00 0.96 C -ATOM 489 CG TYR A 32 -10.148 -8.391 -9.382 1.00 1.27 C -ATOM 490 CD1 TYR A 32 -10.904 -9.299 -10.134 1.00 1.62 C -ATOM 491 CD2 TYR A 32 -10.390 -8.245 -8.011 1.00 2.13 C -ATOM 492 CE1 TYR A 32 -11.904 -10.058 -9.514 1.00 1.95 C -ATOM 493 CE2 TYR A 32 -11.390 -9.006 -7.392 1.00 2.53 C -ATOM 494 CZ TYR A 32 -12.146 -9.912 -8.143 1.00 2.15 C -ATOM 495 OH TYR A 32 -13.131 -10.662 -7.534 1.00 2.64 O -ATOM 496 H TYR A 32 -6.644 -8.245 -9.527 1.00 0.80 H -ATOM 497 HA TYR A 32 -8.721 -9.439 -11.054 1.00 1.09 H -ATOM 498 HB2 TYR A 32 -8.430 -7.136 -9.298 1.00 0.96 H -ATOM 499 HB3 TYR A 32 -9.525 -6.790 -10.637 1.00 1.00 H -ATOM 500 HD1 TYR A 32 -10.717 -9.411 -11.192 1.00 2.19 H -ATOM 501 HD2 TYR A 32 -9.806 -7.546 -7.431 1.00 2.77 H -ATOM 502 HE1 TYR A 32 -12.487 -10.759 -10.095 1.00 2.53 H -ATOM 503 HE2 TYR A 32 -11.577 -8.893 -6.334 1.00 3.38 H -ATOM 504 HH TYR A 32 -13.832 -10.808 -8.173 1.00 2.82 H -ATOM 505 N GLY A 33 -7.336 -6.789 -12.463 1.00 0.97 N -ATOM 506 CA GLY A 33 -7.165 -6.127 -13.787 1.00 1.05 C -ATOM 507 C GLY A 33 -6.639 -7.140 -14.802 1.00 1.16 C -ATOM 508 O GLY A 33 -7.138 -7.248 -15.904 1.00 1.29 O -ATOM 509 H GLY A 33 -6.860 -6.443 -11.681 1.00 0.88 H -ATOM 510 HA2 GLY A 33 -8.117 -5.739 -14.121 1.00 1.11 H -ATOM 511 HA3 GLY A 33 -6.458 -5.315 -13.695 1.00 0.99 H -ATOM 512 N ILE A 34 -5.631 -7.886 -14.436 1.00 1.14 N -ATOM 513 CA ILE A 34 -5.070 -8.895 -15.382 1.00 1.29 C -ATOM 514 C ILE A 34 -6.183 -9.859 -15.810 1.00 1.41 C -ATOM 515 O ILE A 34 -6.348 -10.151 -16.977 1.00 1.55 O -ATOM 516 CB ILE A 34 -3.895 -9.651 -14.719 1.00 1.28 C -ATOM 517 CG1 ILE A 34 -2.781 -9.843 -15.751 1.00 1.74 C -ATOM 518 CG2 ILE A 34 -4.338 -11.026 -14.202 1.00 1.77 C -ATOM 519 CD1 ILE A 34 -2.205 -8.481 -16.144 1.00 2.19 C -ATOM 520 H ILE A 34 -5.243 -7.776 -13.539 1.00 1.05 H -ATOM 521 HA ILE A 34 -4.704 -8.379 -16.259 1.00 1.35 H -ATOM 522 HB ILE A 34 -3.515 -9.069 -13.893 1.00 1.42 H -ATOM 523 HG12 ILE A 34 -1.999 -10.456 -15.325 1.00 2.09 H -ATOM 524 HG13 ILE A 34 -3.181 -10.328 -16.627 1.00 2.18 H -ATOM 525 HG21 ILE A 34 -5.179 -10.909 -13.539 1.00 2.04 H -ATOM 526 HG22 ILE A 34 -4.623 -11.650 -15.037 1.00 2.31 H -ATOM 527 HG23 ILE A 34 -3.521 -11.490 -13.669 1.00 2.25 H -ATOM 528 HD11 ILE A 34 -2.685 -7.706 -15.563 1.00 2.56 H -ATOM 529 HD12 ILE A 34 -1.143 -8.469 -15.951 1.00 2.60 H -ATOM 530 HD13 ILE A 34 -2.383 -8.305 -17.194 1.00 2.54 H -ATOM 531 N ARG A 35 -6.950 -10.350 -14.873 1.00 1.37 N -ATOM 532 CA ARG A 35 -8.052 -11.290 -15.224 1.00 1.51 C -ATOM 533 C ARG A 35 -8.977 -10.619 -16.237 1.00 1.58 C -ATOM 534 O ARG A 35 -9.352 -11.200 -17.235 1.00 1.73 O -ATOM 535 CB ARG A 35 -8.842 -11.650 -13.963 1.00 1.46 C -ATOM 536 CG ARG A 35 -7.936 -12.410 -12.992 1.00 1.73 C -ATOM 537 CD ARG A 35 -8.717 -13.563 -12.356 1.00 2.03 C -ATOM 538 NE ARG A 35 -9.910 -13.022 -11.641 1.00 2.00 N -ATOM 539 CZ ARG A 35 -10.869 -13.827 -11.271 1.00 2.45 C -ATOM 540 NH1 ARG A 35 -10.713 -14.588 -10.223 1.00 2.76 N -ATOM 541 NH2 ARG A 35 -11.985 -13.869 -11.948 1.00 3.14 N -ATOM 542 H ARG A 35 -6.803 -10.097 -13.938 1.00 1.27 H -ATOM 543 HA ARG A 35 -7.635 -12.188 -15.657 1.00 1.61 H -ATOM 544 HB2 ARG A 35 -9.198 -10.745 -13.492 1.00 1.77 H -ATOM 545 HB3 ARG A 35 -9.683 -12.271 -14.231 1.00 1.58 H -ATOM 546 HG2 ARG A 35 -7.086 -12.805 -13.528 1.00 2.15 H -ATOM 547 HG3 ARG A 35 -7.595 -11.740 -12.217 1.00 2.19 H -ATOM 548 HD2 ARG A 35 -9.040 -14.248 -13.124 1.00 2.45 H -ATOM 549 HD3 ARG A 35 -8.082 -14.083 -11.654 1.00 2.48 H -ATOM 550 HE ARG A 35 -9.973 -12.063 -11.449 1.00 2.02 H -ATOM 551 HH11 ARG A 35 -9.859 -14.556 -9.703 1.00 2.90 H -ATOM 552 HH12 ARG A 35 -11.448 -15.205 -9.938 1.00 3.21 H -ATOM 553 HH21 ARG A 35 -12.104 -13.285 -12.750 1.00 3.41 H -ATOM 554 HH22 ARG A 35 -12.718 -14.485 -11.664 1.00 3.66 H -ATOM 555 N ARG A 36 -9.353 -9.399 -15.997 1.00 1.50 N -ATOM 556 CA ARG A 36 -10.246 -8.711 -16.963 1.00 1.59 C -ATOM 557 C ARG A 36 -9.584 -8.702 -18.342 1.00 1.69 C -ATOM 558 O ARG A 36 -10.204 -9.008 -19.341 1.00 1.84 O -ATOM 559 CB ARG A 36 -10.504 -7.275 -16.501 1.00 1.50 C -ATOM 560 CG ARG A 36 -11.639 -6.667 -17.327 1.00 1.77 C -ATOM 561 CD ARG A 36 -11.061 -5.661 -18.326 1.00 2.23 C -ATOM 562 NE ARG A 36 -10.630 -4.428 -17.605 1.00 2.70 N -ATOM 563 CZ ARG A 36 -11.322 -3.985 -16.589 1.00 3.07 C -ATOM 564 NH1 ARG A 36 -12.616 -3.849 -16.689 1.00 3.56 N -ATOM 565 NH2 ARG A 36 -10.717 -3.678 -15.474 1.00 3.58 N -ATOM 566 H ARG A 36 -9.046 -8.937 -15.190 1.00 1.38 H -ATOM 567 HA ARG A 36 -11.178 -9.249 -17.023 1.00 1.68 H -ATOM 568 HB2 ARG A 36 -10.779 -7.278 -15.456 1.00 1.51 H -ATOM 569 HB3 ARG A 36 -9.608 -6.688 -16.636 1.00 1.60 H -ATOM 570 HG2 ARG A 36 -12.155 -7.451 -17.863 1.00 2.13 H -ATOM 571 HG3 ARG A 36 -12.332 -6.162 -16.671 1.00 1.96 H -ATOM 572 HD2 ARG A 36 -10.210 -6.099 -18.826 1.00 2.56 H -ATOM 573 HD3 ARG A 36 -11.815 -5.407 -19.056 1.00 2.57 H -ATOM 574 HE ARG A 36 -9.826 -3.948 -17.896 1.00 3.18 H -ATOM 575 HH11 ARG A 36 -13.078 -4.084 -17.544 1.00 3.68 H -ATOM 576 HH12 ARG A 36 -13.145 -3.509 -15.912 1.00 4.16 H -ATOM 577 HH21 ARG A 36 -9.726 -3.783 -15.397 1.00 3.74 H -ATOM 578 HH22 ARG A 36 -11.245 -3.340 -14.696 1.00 4.16 H -ATOM 579 N LEU A 37 -8.329 -8.350 -18.407 1.00 1.64 N -ATOM 580 CA LEU A 37 -7.630 -8.320 -19.723 1.00 1.75 C -ATOM 581 C LEU A 37 -7.723 -9.698 -20.385 1.00 1.91 C -ATOM 582 O LEU A 37 -8.043 -9.815 -21.551 1.00 2.05 O -ATOM 583 CB LEU A 37 -6.158 -7.957 -19.513 1.00 1.69 C -ATOM 584 CG LEU A 37 -5.846 -6.649 -20.241 1.00 2.11 C -ATOM 585 CD1 LEU A 37 -4.621 -5.989 -19.604 1.00 2.66 C -ATOM 586 CD2 LEU A 37 -5.557 -6.943 -21.714 1.00 2.38 C -ATOM 587 H LEU A 37 -7.846 -8.105 -17.590 1.00 1.52 H -ATOM 588 HA LEU A 37 -8.094 -7.583 -20.361 1.00 1.80 H -ATOM 589 HB2 LEU A 37 -5.966 -7.837 -18.456 1.00 1.91 H -ATOM 590 HB3 LEU A 37 -5.533 -8.744 -19.906 1.00 1.94 H -ATOM 591 HG LEU A 37 -6.693 -5.983 -20.163 1.00 2.63 H -ATOM 592 HD11 LEU A 37 -4.064 -6.727 -19.047 1.00 2.82 H -ATOM 593 HD12 LEU A 37 -3.993 -5.574 -20.379 1.00 3.15 H -ATOM 594 HD13 LEU A 37 -4.941 -5.201 -18.939 1.00 3.10 H -ATOM 595 HD21 LEU A 37 -5.208 -7.960 -21.816 1.00 2.77 H -ATOM 596 HD22 LEU A 37 -6.460 -6.812 -22.291 1.00 2.87 H -ATOM 597 HD23 LEU A 37 -4.798 -6.264 -22.075 1.00 2.45 H -ATOM 598 N ILE A 38 -7.448 -10.743 -19.651 1.00 1.90 N -ATOM 599 CA ILE A 38 -7.526 -12.106 -20.244 1.00 2.06 C -ATOM 600 C ILE A 38 -8.987 -12.582 -20.221 1.00 2.14 C -ATOM 601 O ILE A 38 -9.830 -12.033 -20.902 1.00 2.20 O -ATOM 602 CB ILE A 38 -6.639 -13.062 -19.440 1.00 2.05 C -ATOM 603 CG1 ILE A 38 -6.864 -12.830 -17.944 1.00 1.98 C -ATOM 604 CG2 ILE A 38 -5.169 -12.804 -19.776 1.00 2.03 C -ATOM 605 CD1 ILE A 38 -6.727 -14.156 -17.195 1.00 2.00 C -ATOM 606 H ILE A 38 -7.195 -10.631 -18.711 1.00 1.79 H -ATOM 607 HA ILE A 38 -7.180 -12.071 -21.267 1.00 2.15 H -ATOM 608 HB ILE A 38 -6.891 -14.083 -19.690 1.00 2.14 H -ATOM 609 HG12 ILE A 38 -6.130 -12.131 -17.575 1.00 2.00 H -ATOM 610 HG13 ILE A 38 -7.854 -12.431 -17.787 1.00 2.02 H -ATOM 611 HG21 ILE A 38 -5.064 -12.654 -20.840 1.00 2.39 H -ATOM 612 HG22 ILE A 38 -4.829 -11.923 -19.253 1.00 2.15 H -ATOM 613 HG23 ILE A 38 -4.576 -13.653 -19.472 1.00 2.23 H -ATOM 614 HD11 ILE A 38 -6.918 -14.975 -17.874 1.00 2.36 H -ATOM 615 HD12 ILE A 38 -5.726 -14.244 -16.797 1.00 2.19 H -ATOM 616 HD13 ILE A 38 -7.440 -14.188 -16.384 1.00 2.20 H -ATOM 617 N LYS A 39 -9.303 -13.588 -19.445 1.00 2.35 N -ATOM 618 CA LYS A 39 -10.712 -14.069 -19.394 1.00 2.45 C -ATOM 619 C LYS A 39 -11.251 -14.232 -20.817 1.00 2.85 C -ATOM 620 O LYS A 39 -10.535 -14.072 -21.785 1.00 3.21 O -ATOM 621 CB LYS A 39 -11.568 -13.053 -18.635 1.00 2.30 C -ATOM 622 CG LYS A 39 -12.378 -13.772 -17.554 1.00 2.60 C -ATOM 623 CD LYS A 39 -11.612 -13.733 -16.231 1.00 2.94 C -ATOM 624 CE LYS A 39 -11.394 -15.159 -15.725 1.00 3.56 C -ATOM 625 NZ LYS A 39 -12.446 -15.498 -14.726 1.00 3.91 N -ATOM 626 H LYS A 39 -8.622 -14.022 -18.895 1.00 2.55 H -ATOM 627 HA LYS A 39 -10.748 -15.022 -18.885 1.00 2.58 H -ATOM 628 HB2 LYS A 39 -10.925 -12.317 -18.174 1.00 2.10 H -ATOM 629 HB3 LYS A 39 -12.241 -12.564 -19.322 1.00 2.50 H -ATOM 630 HG2 LYS A 39 -13.333 -13.280 -17.434 1.00 2.77 H -ATOM 631 HG3 LYS A 39 -12.536 -14.799 -17.847 1.00 3.02 H -ATOM 632 HD2 LYS A 39 -10.655 -13.253 -16.383 1.00 3.26 H -ATOM 633 HD3 LYS A 39 -12.182 -13.178 -15.502 1.00 3.12 H -ATOM 634 HE2 LYS A 39 -11.451 -15.848 -16.555 1.00 3.96 H -ATOM 635 HE3 LYS A 39 -10.421 -15.233 -15.264 1.00 3.92 H -ATOM 636 HZ1 LYS A 39 -12.927 -14.629 -14.421 1.00 4.13 H -ATOM 637 HZ2 LYS A 39 -13.138 -16.142 -15.155 1.00 4.14 H -ATOM 638 HZ3 LYS A 39 -12.006 -15.958 -13.903 1.00 4.20 H -ATOM 639 N LYS A 40 -12.510 -14.549 -20.952 1.00 3.09 N -ATOM 640 CA LYS A 40 -13.093 -14.722 -22.313 1.00 3.63 C -ATOM 641 C LYS A 40 -12.465 -15.943 -22.987 1.00 4.10 C -ATOM 642 O LYS A 40 -12.868 -16.256 -24.095 1.00 4.56 O -ATOM 643 CB LYS A 40 -12.809 -13.475 -23.150 1.00 3.99 C -ATOM 644 CG LYS A 40 -13.817 -13.390 -24.298 1.00 4.58 C -ATOM 645 CD LYS A 40 -13.103 -12.935 -25.573 1.00 5.25 C -ATOM 646 CE LYS A 40 -13.936 -13.333 -26.793 1.00 6.09 C -ATOM 647 NZ LYS A 40 -15.287 -12.712 -26.694 1.00 6.53 N -ATOM 648 OXT LYS A 40 -11.590 -16.543 -22.385 1.00 4.44 O -ATOM 649 H LYS A 40 -13.071 -14.674 -20.158 1.00 3.09 H -ATOM 650 HA LYS A 40 -14.161 -14.866 -22.232 1.00 3.93 H -ATOM 651 HB2 LYS A 40 -12.896 -12.596 -22.527 1.00 4.02 H -ATOM 652 HB3 LYS A 40 -11.810 -13.532 -23.555 1.00 4.35 H -ATOM 653 HG2 LYS A 40 -14.260 -14.362 -24.459 1.00 5.09 H -ATOM 654 HG3 LYS A 40 -14.590 -12.679 -24.047 1.00 4.47 H -ATOM 655 HD2 LYS A 40 -12.982 -11.863 -25.553 1.00 5.25 H -ATOM 656 HD3 LYS A 40 -12.135 -13.407 -25.630 1.00 5.52 H -ATOM 657 HE2 LYS A 40 -13.445 -12.989 -27.691 1.00 6.55 H -ATOM 658 HE3 LYS A 40 -14.035 -14.409 -26.826 1.00 6.28 H -ATOM 659 HZ1 LYS A 40 -15.575 -12.667 -25.695 1.00 6.71 H -ATOM 660 HZ2 LYS A 40 -15.258 -11.752 -27.090 1.00 6.79 H -ATOM 661 HZ3 LYS A 40 -15.972 -13.285 -27.228 1.00 6.75 H -ATOM 662 N VAL A 41 10.922 3.839 1.467 1.00 19.64 N -ATOM 663 CA VAL A 41 10.922 2.946 2.660 1.00 19.45 C -ATOM 664 C VAL A 41 11.924 3.470 3.690 1.00 18.79 C -ATOM 665 O VAL A 41 12.858 2.788 4.065 1.00 19.02 O -ATOM 666 CB VAL A 41 11.319 1.531 2.237 1.00 19.77 C -ATOM 667 CG1 VAL A 41 12.773 1.530 1.761 1.00 20.22 C -ATOM 668 CG2 VAL A 41 11.175 0.584 3.430 1.00 19.99 C -ATOM 669 H1 VAL A 41 11.602 4.612 1.611 1.00 19.83 H -ATOM 670 H2 VAL A 41 11.192 3.290 0.625 1.00 19.55 H -ATOM 671 H3 VAL A 41 9.971 4.237 1.331 1.00 19.78 H -ATOM 672 HA VAL A 41 9.934 2.928 3.095 1.00 19.68 H -ATOM 673 HB VAL A 41 10.677 1.202 1.432 1.00 19.65 H -ATOM 674 HG11 VAL A 41 13.082 2.542 1.546 1.00 20.58 H -ATOM 675 HG12 VAL A 41 13.404 1.118 2.534 1.00 20.10 H -ATOM 676 HG13 VAL A 41 12.859 0.930 0.867 1.00 20.40 H -ATOM 677 HG21 VAL A 41 10.220 0.749 3.907 1.00 20.15 H -ATOM 678 HG22 VAL A 41 11.233 -0.439 3.087 1.00 19.89 H -ATOM 679 HG23 VAL A 41 11.968 0.772 4.137 1.00 20.21 H -ATOM 680 N GLN A 42 11.741 4.678 4.152 1.00 18.10 N -ATOM 681 CA GLN A 42 12.685 5.241 5.159 1.00 17.56 C -ATOM 682 C GLN A 42 12.590 4.431 6.454 1.00 16.86 C -ATOM 683 O GLN A 42 11.536 3.947 6.817 1.00 16.59 O -ATOM 684 CB GLN A 42 12.323 6.702 5.444 1.00 17.30 C -ATOM 685 CG GLN A 42 12.678 7.573 4.235 1.00 17.01 C -ATOM 686 CD GLN A 42 14.098 7.249 3.768 1.00 16.75 C -ATOM 687 OE1 GLN A 42 14.289 6.722 2.689 1.00 17.03 O -ATOM 688 NE2 GLN A 42 15.109 7.543 4.538 1.00 16.36 N -ATOM 689 H GLN A 42 10.982 5.213 3.838 1.00 18.01 H -ATOM 690 HA GLN A 42 13.693 5.187 4.776 1.00 18.00 H -ATOM 691 HB2 GLN A 42 11.263 6.777 5.642 1.00 17.10 H -ATOM 692 HB3 GLN A 42 12.873 7.046 6.307 1.00 17.65 H -ATOM 693 HG2 GLN A 42 11.980 7.380 3.433 1.00 17.14 H -ATOM 694 HG3 GLN A 42 12.623 8.615 4.516 1.00 17.03 H -ATOM 695 HE21 GLN A 42 14.955 7.968 5.408 1.00 16.23 H -ATOM 696 HE22 GLN A 42 16.022 7.339 4.248 1.00 16.27 H -ATOM 697 N LEU A 43 13.683 4.279 7.151 1.00 16.69 N -ATOM 698 CA LEU A 43 13.652 3.498 8.420 1.00 16.15 C -ATOM 699 C LEU A 43 14.482 4.216 9.485 1.00 15.61 C -ATOM 700 O LEU A 43 14.705 3.701 10.563 1.00 15.57 O -ATOM 701 CB LEU A 43 14.237 2.106 8.175 1.00 16.73 C -ATOM 702 CG LEU A 43 13.415 1.065 8.934 1.00 16.88 C -ATOM 703 CD1 LEU A 43 11.964 1.106 8.452 1.00 17.47 C -ATOM 704 CD2 LEU A 43 13.997 -0.328 8.679 1.00 17.27 C -ATOM 705 H LEU A 43 14.523 4.675 6.840 1.00 17.00 H -ATOM 706 HA LEU A 43 12.632 3.404 8.760 1.00 15.90 H -ATOM 707 HB2 LEU A 43 14.211 1.886 7.117 1.00 17.22 H -ATOM 708 HB3 LEU A 43 15.259 2.080 8.523 1.00 16.67 H -ATOM 709 HG LEU A 43 13.449 1.282 9.993 1.00 16.46 H -ATOM 710 HD11 LEU A 43 11.922 1.571 7.477 1.00 17.89 H -ATOM 711 HD12 LEU A 43 11.577 0.100 8.388 1.00 17.56 H -ATOM 712 HD13 LEU A 43 11.369 1.676 9.149 1.00 17.50 H -ATOM 713 HD21 LEU A 43 15.044 -0.240 8.430 1.00 17.31 H -ATOM 714 HD22 LEU A 43 13.887 -0.932 9.567 1.00 17.40 H -ATOM 715 HD23 LEU A 43 13.470 -0.794 7.859 1.00 17.53 H -ATOM 716 N ALA A 44 14.945 5.401 9.196 1.00 15.34 N -ATOM 717 CA ALA A 44 15.760 6.146 10.196 1.00 14.99 C -ATOM 718 C ALA A 44 14.835 6.805 11.222 1.00 14.10 C -ATOM 719 O ALA A 44 15.270 7.261 12.261 1.00 13.96 O -ATOM 720 CB ALA A 44 16.585 7.221 9.486 1.00 15.58 C -ATOM 721 H ALA A 44 14.757 5.802 8.321 1.00 15.48 H -ATOM 722 HA ALA A 44 16.423 5.457 10.700 1.00 15.10 H -ATOM 723 HB1 ALA A 44 16.074 7.530 8.586 1.00 15.78 H -ATOM 724 HB2 ALA A 44 16.707 8.071 10.141 1.00 15.78 H -ATOM 725 HB3 ALA A 44 17.555 6.821 9.231 1.00 15.73 H -ATOM 726 N HIS A 45 13.561 6.858 10.937 1.00 13.65 N -ATOM 727 CA HIS A 45 12.602 7.485 11.894 1.00 12.91 C -ATOM 728 C HIS A 45 12.691 9.009 11.785 1.00 12.30 C -ATOM 729 O HIS A 45 13.696 9.608 12.110 1.00 12.38 O -ATOM 730 CB HIS A 45 12.948 7.057 13.321 1.00 12.96 C -ATOM 731 CG HIS A 45 11.681 6.764 14.080 1.00 13.34 C -ATOM 732 ND1 HIS A 45 11.040 5.538 14.002 1.00 13.54 N -ATOM 733 CD2 HIS A 45 10.926 7.528 14.935 1.00 13.74 C -ATOM 734 CE1 HIS A 45 9.951 5.599 14.791 1.00 14.03 C -ATOM 735 NE2 HIS A 45 9.835 6.791 15.383 1.00 14.18 N -ATOM 736 H HIS A 45 13.233 6.483 10.094 1.00 13.88 H -ATOM 737 HA HIS A 45 11.598 7.166 11.656 1.00 12.98 H -ATOM 738 HB2 HIS A 45 13.562 6.168 13.291 1.00 13.11 H -ATOM 739 HB3 HIS A 45 13.486 7.851 13.815 1.00 12.79 H -ATOM 740 HD1 HIS A 45 11.326 4.766 13.471 1.00 13.46 H -ATOM 741 HD2 HIS A 45 11.148 8.546 15.218 1.00 13.85 H -ATOM 742 HE1 HIS A 45 9.257 4.783 14.931 1.00 14.39 H -ATOM 743 N HIS A 46 11.642 9.641 11.330 1.00 11.87 N -ATOM 744 CA HIS A 46 11.663 11.126 11.202 1.00 11.46 C -ATOM 745 C HIS A 46 10.453 11.584 10.386 1.00 10.55 C -ATOM 746 O HIS A 46 10.539 12.499 9.591 1.00 10.53 O -ATOM 747 CB HIS A 46 12.947 11.562 10.496 1.00 11.84 C -ATOM 748 CG HIS A 46 13.878 12.195 11.493 1.00 12.35 C -ATOM 749 ND1 HIS A 46 15.168 11.734 11.697 1.00 12.68 N -ATOM 750 CD2 HIS A 46 13.718 13.256 12.350 1.00 12.80 C -ATOM 751 CE1 HIS A 46 15.731 12.506 12.643 1.00 13.29 C -ATOM 752 NE2 HIS A 46 14.890 13.450 13.076 1.00 13.39 N -ATOM 753 H HIS A 46 10.841 9.139 11.075 1.00 11.95 H -ATOM 754 HA HIS A 46 11.623 11.573 12.185 1.00 11.76 H -ATOM 755 HB2 HIS A 46 13.425 10.700 10.053 1.00 11.94 H -ATOM 756 HB3 HIS A 46 12.708 12.277 9.722 1.00 11.86 H -ATOM 757 HD1 HIS A 46 15.594 10.982 11.234 1.00 12.63 H -ATOM 758 HD2 HIS A 46 12.821 13.848 12.447 1.00 12.83 H -ATOM 759 HE1 HIS A 46 16.739 12.379 13.009 1.00 13.77 H -ATOM 760 N PHE A 47 9.325 10.955 10.575 1.00 10.00 N -ATOM 761 CA PHE A 47 8.112 11.355 9.808 1.00 9.29 C -ATOM 762 C PHE A 47 6.882 11.261 10.712 1.00 8.27 C -ATOM 763 O PHE A 47 6.497 12.218 11.354 1.00 8.29 O -ATOM 764 CB PHE A 47 7.938 10.421 8.609 1.00 9.52 C -ATOM 765 CG PHE A 47 8.436 11.107 7.359 1.00 10.43 C -ATOM 766 CD1 PHE A 47 9.807 11.315 7.173 1.00 10.86 C -ATOM 767 CD2 PHE A 47 7.524 11.534 6.387 1.00 11.07 C -ATOM 768 CE1 PHE A 47 10.268 11.950 6.014 1.00 11.86 C -ATOM 769 CE2 PHE A 47 7.985 12.169 5.227 1.00 12.06 C -ATOM 770 CZ PHE A 47 9.357 12.377 5.040 1.00 12.43 C -ATOM 771 H PHE A 47 9.277 10.218 11.220 1.00 10.20 H -ATOM 772 HA PHE A 47 8.226 12.371 9.459 1.00 9.58 H -ATOM 773 HB2 PHE A 47 8.505 9.516 8.773 1.00 9.36 H -ATOM 774 HB3 PHE A 47 6.893 10.175 8.492 1.00 9.45 H -ATOM 775 HD1 PHE A 47 10.510 10.985 7.923 1.00 10.55 H -ATOM 776 HD2 PHE A 47 6.466 11.374 6.530 1.00 10.94 H -ATOM 777 HE1 PHE A 47 11.326 12.110 5.870 1.00 12.32 H -ATOM 778 HE2 PHE A 47 7.282 12.498 4.476 1.00 12.65 H -ATOM 779 HZ PHE A 47 9.712 12.867 4.145 1.00 13.28 H -ATOM 780 N SER A 48 6.261 10.114 10.769 1.00 7.61 N -ATOM 781 CA SER A 48 5.057 9.961 11.633 1.00 6.80 C -ATOM 782 C SER A 48 5.489 9.555 13.043 1.00 5.60 C -ATOM 783 O SER A 48 5.878 8.430 13.285 1.00 5.39 O -ATOM 784 CB SER A 48 4.145 8.883 11.047 1.00 7.36 C -ATOM 785 OG SER A 48 3.607 9.343 9.814 1.00 8.12 O -ATOM 786 H SER A 48 6.587 9.354 10.243 1.00 7.83 H -ATOM 787 HA SER A 48 4.523 10.899 11.676 1.00 6.96 H -ATOM 788 HB2 SER A 48 4.713 7.985 10.873 1.00 7.45 H -ATOM 789 HB3 SER A 48 3.345 8.672 11.745 1.00 7.39 H -ATOM 790 HG SER A 48 3.215 10.207 9.965 1.00 8.23 H -ATOM 791 N GLU A 49 5.424 10.465 13.977 1.00 5.12 N -ATOM 792 CA GLU A 49 5.831 10.134 15.371 1.00 4.22 C -ATOM 793 C GLU A 49 4.836 9.143 15.986 1.00 3.04 C -ATOM 794 O GLU A 49 5.227 8.092 16.453 1.00 3.18 O -ATOM 795 CB GLU A 49 5.867 11.414 16.210 1.00 4.88 C -ATOM 796 CG GLU A 49 7.321 11.828 16.447 1.00 5.77 C -ATOM 797 CD GLU A 49 7.751 12.827 15.371 1.00 6.71 C -ATOM 798 OE1 GLU A 49 7.075 13.831 15.219 1.00 7.29 O -ATOM 799 OE2 GLU A 49 8.748 12.570 14.716 1.00 7.09 O -ATOM 800 H GLU A 49 5.108 11.367 13.760 1.00 5.60 H -ATOM 801 HA GLU A 49 6.815 9.689 15.358 1.00 4.31 H -ATOM 802 HB2 GLU A 49 5.348 12.202 15.685 1.00 5.35 H -ATOM 803 HB3 GLU A 49 5.386 11.235 17.159 1.00 4.66 H -ATOM 804 HG2 GLU A 49 7.411 12.287 17.421 1.00 5.92 H -ATOM 805 HG3 GLU A 49 7.957 10.956 16.400 1.00 5.90 H -ATOM 806 N PRO A 50 3.576 9.506 15.974 1.00 2.28 N -ATOM 807 CA PRO A 50 2.512 8.653 16.536 1.00 1.48 C -ATOM 808 C PRO A 50 2.466 7.303 15.812 1.00 1.33 C -ATOM 809 O PRO A 50 2.901 7.176 14.683 1.00 1.29 O -ATOM 810 CB PRO A 50 1.213 9.437 16.302 1.00 2.00 C -ATOM 811 CG PRO A 50 1.588 10.778 15.622 1.00 2.71 C -ATOM 812 CD PRO A 50 3.110 10.785 15.405 1.00 2.87 C -ATOM 813 HA PRO A 50 2.666 8.508 17.594 1.00 1.64 H -ATOM 814 HB2 PRO A 50 0.555 8.868 15.659 1.00 2.42 H -ATOM 815 HB3 PRO A 50 0.728 9.633 17.245 1.00 2.16 H -ATOM 816 HG2 PRO A 50 1.081 10.861 14.671 1.00 3.49 H -ATOM 817 HG3 PRO A 50 1.310 11.603 16.260 1.00 2.78 H -ATOM 818 HD2 PRO A 50 3.333 10.836 14.349 1.00 3.66 H -ATOM 819 HD3 PRO A 50 3.561 11.612 15.930 1.00 3.03 H -ATOM 820 N GLU A 51 1.940 6.296 16.454 1.00 1.30 N -ATOM 821 CA GLU A 51 1.864 4.955 15.808 1.00 1.19 C -ATOM 822 C GLU A 51 0.907 5.007 14.616 1.00 1.06 C -ATOM 823 O GLU A 51 1.324 4.983 13.476 1.00 1.01 O -ATOM 824 CB GLU A 51 1.354 3.929 16.821 1.00 1.29 C -ATOM 825 CG GLU A 51 2.332 3.834 17.993 1.00 1.90 C -ATOM 826 CD GLU A 51 1.565 3.975 19.308 1.00 2.25 C -ATOM 827 OE1 GLU A 51 0.939 5.004 19.498 1.00 2.89 O -ATOM 828 OE2 GLU A 51 1.616 3.051 20.103 1.00 2.52 O -ATOM 829 H GLU A 51 1.595 6.422 17.362 1.00 1.39 H -ATOM 830 HA GLU A 51 2.847 4.664 15.467 1.00 1.17 H -ATOM 831 HB2 GLU A 51 0.383 4.236 17.185 1.00 1.78 H -ATOM 832 HB3 GLU A 51 1.270 2.963 16.345 1.00 1.39 H -ATOM 833 HG2 GLU A 51 2.831 2.876 17.966 1.00 2.21 H -ATOM 834 HG3 GLU A 51 3.063 4.624 17.917 1.00 2.64 H -ATOM 835 N ILE A 52 -0.374 5.068 14.874 1.00 1.07 N -ATOM 836 CA ILE A 52 -1.367 5.112 13.766 1.00 0.98 C -ATOM 837 C ILE A 52 -0.853 6.001 12.631 1.00 0.89 C -ATOM 838 O ILE A 52 -0.984 5.675 11.467 1.00 0.82 O -ATOM 839 CB ILE A 52 -2.692 5.662 14.302 1.00 1.09 C -ATOM 840 CG1 ILE A 52 -3.814 5.264 13.351 1.00 1.29 C -ATOM 841 CG2 ILE A 52 -2.627 7.189 14.409 1.00 1.27 C -ATOM 842 CD1 ILE A 52 -4.804 4.363 14.087 1.00 2.11 C -ATOM 843 H ILE A 52 -0.685 5.079 15.801 1.00 1.17 H -ATOM 844 HA ILE A 52 -1.525 4.111 13.392 1.00 0.94 H -ATOM 845 HB ILE A 52 -2.887 5.244 15.279 1.00 1.22 H -ATOM 846 HG12 ILE A 52 -4.320 6.151 13.000 1.00 1.49 H -ATOM 847 HG13 ILE A 52 -3.396 4.729 12.512 1.00 1.36 H -ATOM 848 HG21 ILE A 52 -1.726 7.475 14.929 1.00 1.79 H -ATOM 849 HG22 ILE A 52 -2.623 7.619 13.418 1.00 1.73 H -ATOM 850 HG23 ILE A 52 -3.487 7.549 14.953 1.00 1.50 H -ATOM 851 HD11 ILE A 52 -4.282 3.807 14.852 1.00 2.58 H -ATOM 852 HD12 ILE A 52 -5.573 4.969 14.544 1.00 2.56 H -ATOM 853 HD13 ILE A 52 -5.256 3.675 13.387 1.00 2.50 H -ATOM 854 N THR A 53 -0.268 7.118 12.958 1.00 0.92 N -ATOM 855 CA THR A 53 0.256 8.023 11.896 1.00 0.87 C -ATOM 856 C THR A 53 1.333 7.292 11.090 1.00 0.77 C -ATOM 857 O THR A 53 1.343 7.327 9.874 1.00 0.69 O -ATOM 858 CB THR A 53 0.847 9.286 12.533 1.00 0.99 C -ATOM 859 OG1 THR A 53 1.523 8.946 13.737 1.00 1.57 O -ATOM 860 CG2 THR A 53 -0.276 10.276 12.839 1.00 1.43 C -ATOM 861 H THR A 53 -0.170 7.363 13.901 1.00 1.01 H -ATOM 862 HA THR A 53 -0.554 8.302 11.237 1.00 0.85 H -ATOM 863 HB THR A 53 1.544 9.741 11.847 1.00 1.38 H -ATOM 864 HG1 THR A 53 1.591 7.992 13.783 1.00 1.99 H -ATOM 865 HG21 THR A 53 -1.138 10.041 12.234 1.00 1.95 H -ATOM 866 HG22 THR A 53 -0.541 10.209 13.884 1.00 1.96 H -ATOM 867 HG23 THR A 53 0.057 11.279 12.617 1.00 1.85 H -ATOM 868 N LEU A 54 2.250 6.639 11.749 1.00 0.81 N -ATOM 869 CA LEU A 54 3.319 5.923 10.997 1.00 0.74 C -ATOM 870 C LEU A 54 2.749 4.655 10.362 1.00 0.62 C -ATOM 871 O LEU A 54 2.981 4.385 9.202 1.00 0.52 O -ATOM 872 CB LEU A 54 4.460 5.541 11.947 1.00 0.87 C -ATOM 873 CG LEU A 54 5.801 5.645 11.214 1.00 1.11 C -ATOM 874 CD1 LEU A 54 6.877 4.911 12.016 1.00 1.02 C -ATOM 875 CD2 LEU A 54 5.685 5.009 9.825 1.00 1.63 C -ATOM 876 H LEU A 54 2.238 6.624 12.730 1.00 0.89 H -ATOM 877 HA LEU A 54 3.702 6.566 10.218 1.00 0.73 H -ATOM 878 HB2 LEU A 54 4.463 6.210 12.795 1.00 1.12 H -ATOM 879 HB3 LEU A 54 4.318 4.527 12.290 1.00 1.06 H -ATOM 880 HG LEU A 54 6.075 6.685 11.114 1.00 1.49 H -ATOM 881 HD11 LEU A 54 6.444 4.521 12.925 1.00 1.17 H -ATOM 882 HD12 LEU A 54 7.271 4.095 11.428 1.00 1.50 H -ATOM 883 HD13 LEU A 54 7.674 5.596 12.261 1.00 1.52 H -ATOM 884 HD21 LEU A 54 5.233 4.032 9.913 1.00 2.19 H -ATOM 885 HD22 LEU A 54 5.072 5.635 9.194 1.00 1.88 H -ATOM 886 HD23 LEU A 54 6.669 4.913 9.391 1.00 2.07 H -ATOM 887 N ILE A 55 2.014 3.863 11.097 1.00 0.66 N -ATOM 888 CA ILE A 55 1.463 2.621 10.485 1.00 0.59 C -ATOM 889 C ILE A 55 0.616 2.986 9.264 1.00 0.48 C -ATOM 890 O ILE A 55 0.783 2.429 8.196 1.00 0.39 O -ATOM 891 CB ILE A 55 0.593 1.885 11.506 1.00 0.70 C -ATOM 892 CG1 ILE A 55 1.424 1.569 12.752 1.00 0.89 C -ATOM 893 CG2 ILE A 55 0.078 0.582 10.891 1.00 0.73 C -ATOM 894 CD1 ILE A 55 0.493 1.180 13.901 1.00 1.02 C -ATOM 895 H ILE A 55 1.832 4.078 12.036 1.00 0.76 H -ATOM 896 HA ILE A 55 2.277 1.981 10.179 1.00 0.57 H -ATOM 897 HB ILE A 55 -0.246 2.508 11.781 1.00 0.70 H -ATOM 898 HG12 ILE A 55 2.095 0.750 12.537 1.00 0.95 H -ATOM 899 HG13 ILE A 55 1.996 2.440 13.033 1.00 0.95 H -ATOM 900 HG21 ILE A 55 -0.424 0.799 9.960 1.00 1.16 H -ATOM 901 HG22 ILE A 55 0.910 -0.081 10.706 1.00 1.26 H -ATOM 902 HG23 ILE A 55 -0.614 0.112 11.573 1.00 1.34 H -ATOM 903 HD11 ILE A 55 -0.496 0.980 13.512 1.00 1.45 H -ATOM 904 HD12 ILE A 55 0.873 0.294 14.389 1.00 1.40 H -ATOM 905 HD13 ILE A 55 0.441 1.990 14.614 1.00 1.51 H -ATOM 906 N ILE A 56 -0.272 3.938 9.397 1.00 0.51 N -ATOM 907 CA ILE A 56 -1.092 4.344 8.222 1.00 0.45 C -ATOM 908 C ILE A 56 -0.154 4.797 7.104 1.00 0.35 C -ATOM 909 O ILE A 56 -0.285 4.401 5.961 1.00 0.30 O -ATOM 910 CB ILE A 56 -2.051 5.475 8.611 1.00 0.52 C -ATOM 911 CG1 ILE A 56 -3.076 5.680 7.493 1.00 1.19 C -ATOM 912 CG2 ILE A 56 -1.276 6.773 8.831 1.00 1.41 C -ATOM 913 CD1 ILE A 56 -4.484 5.462 8.048 1.00 1.86 C -ATOM 914 H ILE A 56 -0.382 4.394 10.258 1.00 0.59 H -ATOM 915 HA ILE A 56 -1.664 3.493 7.879 1.00 0.46 H -ATOM 916 HB ILE A 56 -2.563 5.209 9.522 1.00 1.05 H -ATOM 917 HG12 ILE A 56 -2.991 6.685 7.106 1.00 1.77 H -ATOM 918 HG13 ILE A 56 -2.890 4.970 6.700 1.00 1.90 H -ATOM 919 HG21 ILE A 56 -0.760 7.045 7.924 1.00 1.89 H -ATOM 920 HG22 ILE A 56 -1.964 7.560 9.103 1.00 1.87 H -ATOM 921 HG23 ILE A 56 -0.563 6.630 9.626 1.00 2.07 H -ATOM 922 HD11 ILE A 56 -4.422 4.972 9.008 1.00 2.48 H -ATOM 923 HD12 ILE A 56 -4.978 6.416 8.162 1.00 2.31 H -ATOM 924 HD13 ILE A 56 -5.049 4.845 7.365 1.00 2.21 H -ATOM 925 N PHE A 57 0.802 5.624 7.438 1.00 0.37 N -ATOM 926 CA PHE A 57 1.770 6.113 6.413 1.00 0.34 C -ATOM 927 C PHE A 57 2.465 4.923 5.758 1.00 0.29 C -ATOM 928 O PHE A 57 2.591 4.852 4.552 1.00 0.27 O -ATOM 929 CB PHE A 57 2.821 7.018 7.066 1.00 0.44 C -ATOM 930 CG PHE A 57 2.475 8.464 6.792 1.00 1.05 C -ATOM 931 CD1 PHE A 57 1.389 9.059 7.443 1.00 1.80 C -ATOM 932 CD2 PHE A 57 3.242 9.206 5.885 1.00 1.97 C -ATOM 933 CE1 PHE A 57 1.068 10.398 7.188 1.00 2.57 C -ATOM 934 CE2 PHE A 57 2.920 10.546 5.631 1.00 2.71 C -ATOM 935 CZ PHE A 57 1.834 11.141 6.282 1.00 2.81 C -ATOM 936 H PHE A 57 0.880 5.921 8.370 1.00 0.43 H -ATOM 937 HA PHE A 57 1.235 6.674 5.659 1.00 0.34 H -ATOM 938 HB2 PHE A 57 2.840 6.848 8.133 1.00 0.94 H -ATOM 939 HB3 PHE A 57 3.792 6.799 6.650 1.00 0.81 H -ATOM 940 HD1 PHE A 57 0.797 8.485 8.142 1.00 2.26 H -ATOM 941 HD2 PHE A 57 4.080 8.747 5.384 1.00 2.49 H -ATOM 942 HE1 PHE A 57 0.229 10.857 7.691 1.00 3.32 H -ATOM 943 HE2 PHE A 57 3.512 11.118 4.931 1.00 3.52 H -ATOM 944 HZ PHE A 57 1.586 12.173 6.085 1.00 3.51 H -ATOM 945 N GLY A 58 2.926 3.987 6.541 1.00 0.30 N -ATOM 946 CA GLY A 58 3.621 2.807 5.957 1.00 0.28 C -ATOM 947 C GLY A 58 2.695 2.119 4.956 1.00 0.22 C -ATOM 948 O GLY A 58 3.091 1.801 3.854 1.00 0.23 O -ATOM 949 H GLY A 58 2.823 4.065 7.514 1.00 0.34 H -ATOM 950 HA2 GLY A 58 4.522 3.132 5.453 1.00 0.31 H -ATOM 951 HA3 GLY A 58 3.879 2.113 6.743 1.00 0.31 H -ATOM 952 N VAL A 59 1.460 1.893 5.318 1.00 0.22 N -ATOM 953 CA VAL A 59 0.530 1.234 4.359 1.00 0.23 C -ATOM 954 C VAL A 59 0.476 2.069 3.078 1.00 0.22 C -ATOM 955 O VAL A 59 0.616 1.557 1.982 1.00 0.23 O -ATOM 956 CB VAL A 59 -0.861 1.146 4.986 1.00 0.27 C -ATOM 957 CG1 VAL A 59 -1.835 0.522 3.985 1.00 0.33 C -ATOM 958 CG2 VAL A 59 -0.791 0.275 6.244 1.00 0.30 C -ATOM 959 H VAL A 59 1.148 2.159 6.208 1.00 0.24 H -ATOM 960 HA VAL A 59 0.885 0.243 4.129 1.00 0.25 H -ATOM 961 HB VAL A 59 -1.201 2.138 5.249 1.00 0.30 H -ATOM 962 HG11 VAL A 59 -1.462 0.668 2.982 1.00 0.98 H -ATOM 963 HG12 VAL A 59 -1.927 -0.536 4.185 1.00 1.10 H -ATOM 964 HG13 VAL A 59 -2.802 0.994 4.083 1.00 1.05 H -ATOM 965 HG21 VAL A 59 0.219 0.277 6.628 1.00 0.93 H -ATOM 966 HG22 VAL A 59 -1.462 0.669 6.993 1.00 1.14 H -ATOM 967 HG23 VAL A 59 -1.080 -0.737 5.998 1.00 1.08 H -ATOM 968 N MET A 60 0.305 3.357 3.208 1.00 0.22 N -ATOM 969 CA MET A 60 0.280 4.228 2.000 1.00 0.23 C -ATOM 970 C MET A 60 1.593 4.045 1.238 1.00 0.24 C -ATOM 971 O MET A 60 1.615 3.860 0.036 1.00 0.25 O -ATOM 972 CB MET A 60 0.132 5.690 2.428 1.00 0.26 C -ATOM 973 CG MET A 60 -1.175 5.866 3.203 1.00 0.32 C -ATOM 974 SD MET A 60 -1.605 7.623 3.273 1.00 1.15 S -ATOM 975 CE MET A 60 -0.141 8.182 4.180 1.00 1.83 C -ATOM 976 H MET A 60 0.218 3.753 4.101 1.00 0.22 H -ATOM 977 HA MET A 60 -0.550 3.948 1.367 1.00 0.25 H -ATOM 978 HB2 MET A 60 0.966 5.966 3.057 1.00 0.29 H -ATOM 979 HB3 MET A 60 0.117 6.322 1.552 1.00 0.30 H -ATOM 980 HG2 MET A 60 -1.965 5.323 2.705 1.00 0.69 H -ATOM 981 HG3 MET A 60 -1.053 5.485 4.205 1.00 0.71 H -ATOM 982 HE1 MET A 60 0.745 7.763 3.725 1.00 2.42 H -ATOM 983 HE2 MET A 60 -0.085 9.257 4.147 1.00 2.17 H -ATOM 984 HE3 MET A 60 -0.211 7.857 5.210 1.00 2.39 H -ATOM 985 N ALA A 61 2.689 4.093 1.946 1.00 0.25 N -ATOM 986 CA ALA A 61 4.020 3.922 1.300 1.00 0.27 C -ATOM 987 C ALA A 61 4.071 2.579 0.564 1.00 0.26 C -ATOM 988 O ALA A 61 4.520 2.504 -0.563 1.00 0.27 O -ATOM 989 CB ALA A 61 5.132 3.997 2.357 1.00 0.31 C -ATOM 990 H ALA A 61 2.636 4.239 2.912 1.00 0.25 H -ATOM 991 HA ALA A 61 4.164 4.718 0.583 1.00 0.29 H -ATOM 992 HB1 ALA A 61 4.700 3.938 3.346 1.00 1.02 H -ATOM 993 HB2 ALA A 61 5.827 3.183 2.216 1.00 1.10 H -ATOM 994 HB3 ALA A 61 5.657 4.936 2.255 1.00 1.06 H -ATOM 995 N GLY A 62 3.630 1.511 1.183 1.00 0.25 N -ATOM 996 CA GLY A 62 3.682 0.194 0.492 1.00 0.26 C -ATOM 997 C GLY A 62 2.921 0.286 -0.828 1.00 0.24 C -ATOM 998 O GLY A 62 3.406 -0.133 -1.860 1.00 0.24 O -ATOM 999 H GLY A 62 3.271 1.573 2.091 1.00 0.25 H -ATOM 1000 HA2 GLY A 62 4.713 -0.072 0.300 1.00 0.29 H -ATOM 1001 HA3 GLY A 62 3.225 -0.559 1.116 1.00 0.27 H -ATOM 1002 N VAL A 63 1.738 0.838 -0.817 1.00 0.22 N -ATOM 1003 CA VAL A 63 0.980 0.953 -2.095 1.00 0.21 C -ATOM 1004 C VAL A 63 1.825 1.734 -3.108 1.00 0.21 C -ATOM 1005 O VAL A 63 1.984 1.329 -4.243 1.00 0.21 O -ATOM 1006 CB VAL A 63 -0.337 1.692 -1.851 1.00 0.23 C -ATOM 1007 CG1 VAL A 63 -1.117 1.792 -3.162 1.00 0.28 C -ATOM 1008 CG2 VAL A 63 -1.169 0.925 -0.821 1.00 0.31 C -ATOM 1009 H VAL A 63 1.355 1.179 0.022 1.00 0.22 H -ATOM 1010 HA VAL A 63 0.774 -0.035 -2.481 1.00 0.22 H -ATOM 1011 HB VAL A 63 -0.128 2.685 -1.480 1.00 0.28 H -ATOM 1012 HG11 VAL A 63 -0.468 2.167 -3.940 1.00 0.98 H -ATOM 1013 HG12 VAL A 63 -1.483 0.814 -3.439 1.00 1.07 H -ATOM 1014 HG13 VAL A 63 -1.952 2.465 -3.034 1.00 1.13 H -ATOM 1015 HG21 VAL A 63 -1.152 -0.129 -1.058 1.00 0.96 H -ATOM 1016 HG22 VAL A 63 -0.755 1.080 0.164 1.00 1.07 H -ATOM 1017 HG23 VAL A 63 -2.188 1.281 -0.844 1.00 1.14 H -ATOM 1018 N ILE A 64 2.377 2.848 -2.700 1.00 0.23 N -ATOM 1019 CA ILE A 64 3.220 3.652 -3.630 1.00 0.25 C -ATOM 1020 C ILE A 64 4.373 2.794 -4.161 1.00 0.26 C -ATOM 1021 O ILE A 64 4.652 2.776 -5.343 1.00 0.26 O -ATOM 1022 CB ILE A 64 3.785 4.863 -2.886 1.00 0.30 C -ATOM 1023 CG1 ILE A 64 2.645 5.822 -2.537 1.00 0.32 C -ATOM 1024 CG2 ILE A 64 4.800 5.581 -3.777 1.00 0.40 C -ATOM 1025 CD1 ILE A 64 3.053 6.690 -1.345 1.00 1.06 C -ATOM 1026 H ILE A 64 2.238 3.156 -1.779 1.00 0.24 H -ATOM 1027 HA ILE A 64 2.615 3.992 -4.458 1.00 0.26 H -ATOM 1028 HB ILE A 64 4.272 4.533 -1.979 1.00 0.33 H -ATOM 1029 HG12 ILE A 64 2.434 6.454 -3.388 1.00 0.77 H -ATOM 1030 HG13 ILE A 64 1.763 5.255 -2.281 1.00 0.79 H -ATOM 1031 HG21 ILE A 64 4.393 5.692 -4.771 1.00 1.11 H -ATOM 1032 HG22 ILE A 64 5.014 6.556 -3.366 1.00 1.08 H -ATOM 1033 HG23 ILE A 64 5.712 5.003 -3.824 1.00 1.05 H -ATOM 1034 HD11 ILE A 64 3.602 6.090 -0.634 1.00 1.59 H -ATOM 1035 HD12 ILE A 64 3.677 7.503 -1.688 1.00 1.60 H -ATOM 1036 HD13 ILE A 64 2.169 7.090 -0.873 1.00 1.66 H -ATOM 1037 N GLY A 65 5.053 2.091 -3.294 1.00 0.27 N -ATOM 1038 CA GLY A 65 6.193 1.245 -3.750 1.00 0.30 C -ATOM 1039 C GLY A 65 5.711 0.257 -4.810 1.00 0.27 C -ATOM 1040 O GLY A 65 6.327 0.097 -5.845 1.00 0.29 O -ATOM 1041 H GLY A 65 4.820 2.123 -2.344 1.00 0.28 H -ATOM 1042 HA2 GLY A 65 6.963 1.877 -4.168 1.00 0.33 H -ATOM 1043 HA3 GLY A 65 6.593 0.699 -2.909 1.00 0.33 H -ATOM 1044 N THR A 66 4.615 -0.409 -4.567 1.00 0.24 N -ATOM 1045 CA THR A 66 4.107 -1.382 -5.573 1.00 0.24 C -ATOM 1046 C THR A 66 3.892 -0.660 -6.903 1.00 0.24 C -ATOM 1047 O THR A 66 4.305 -1.126 -7.947 1.00 0.28 O -ATOM 1048 CB THR A 66 2.780 -1.974 -5.091 1.00 0.25 C -ATOM 1049 OG1 THR A 66 2.935 -2.460 -3.763 1.00 0.32 O -ATOM 1050 CG2 THR A 66 2.371 -3.123 -6.014 1.00 0.28 C -ATOM 1051 H THR A 66 4.129 -0.268 -3.727 1.00 0.24 H -ATOM 1052 HA THR A 66 4.829 -2.174 -5.705 1.00 0.28 H -ATOM 1053 HB THR A 66 2.017 -1.213 -5.109 1.00 0.25 H -ATOM 1054 HG1 THR A 66 3.028 -1.704 -3.179 1.00 0.39 H -ATOM 1055 HG21 THR A 66 2.425 -2.795 -7.042 1.00 1.00 H -ATOM 1056 HG22 THR A 66 3.041 -3.958 -5.868 1.00 1.09 H -ATOM 1057 HG23 THR A 66 1.361 -3.428 -5.786 1.00 0.99 H -ATOM 1058 N ILE A 67 3.256 0.481 -6.875 1.00 0.23 N -ATOM 1059 CA ILE A 67 3.029 1.232 -8.141 1.00 0.29 C -ATOM 1060 C ILE A 67 4.377 1.506 -8.812 1.00 0.33 C -ATOM 1061 O ILE A 67 4.550 1.292 -9.996 1.00 0.40 O -ATOM 1062 CB ILE A 67 2.331 2.558 -7.830 1.00 0.33 C -ATOM 1063 CG1 ILE A 67 0.878 2.287 -7.431 1.00 0.34 C -ATOM 1064 CG2 ILE A 67 2.359 3.454 -9.069 1.00 0.40 C -ATOM 1065 CD1 ILE A 67 0.281 3.542 -6.791 1.00 0.41 C -ATOM 1066 H ILE A 67 2.936 0.844 -6.022 1.00 0.21 H -ATOM 1067 HA ILE A 67 2.409 0.645 -8.802 1.00 0.32 H -ATOM 1068 HB ILE A 67 2.843 3.053 -7.017 1.00 0.34 H -ATOM 1069 HG12 ILE A 67 0.308 2.024 -8.309 1.00 0.40 H -ATOM 1070 HG13 ILE A 67 0.845 1.473 -6.723 1.00 0.34 H -ATOM 1071 HG21 ILE A 67 2.751 2.897 -9.907 1.00 1.10 H -ATOM 1072 HG22 ILE A 67 1.356 3.785 -9.296 1.00 0.98 H -ATOM 1073 HG23 ILE A 67 2.987 4.311 -8.880 1.00 1.06 H -ATOM 1074 HD11 ILE A 67 0.898 3.850 -5.960 1.00 1.07 H -ATOM 1075 HD12 ILE A 67 0.239 4.334 -7.522 1.00 1.11 H -ATOM 1076 HD13 ILE A 67 -0.716 3.324 -6.437 1.00 1.14 H -ATOM 1077 N LEU A 68 5.335 1.973 -8.058 1.00 0.33 N -ATOM 1078 CA LEU A 68 6.676 2.257 -8.638 1.00 0.41 C -ATOM 1079 C LEU A 68 7.222 0.975 -9.283 1.00 0.44 C -ATOM 1080 O LEU A 68 7.717 0.988 -10.392 1.00 0.51 O -ATOM 1081 CB LEU A 68 7.606 2.778 -7.519 1.00 0.44 C -ATOM 1082 CG LEU A 68 8.904 1.964 -7.431 1.00 0.76 C -ATOM 1083 CD1 LEU A 68 9.801 2.296 -8.625 1.00 1.14 C -ATOM 1084 CD2 LEU A 68 9.635 2.314 -6.133 1.00 1.06 C -ATOM 1085 H LEU A 68 5.175 2.132 -7.105 1.00 0.30 H -ATOM 1086 HA LEU A 68 6.576 3.017 -9.400 1.00 0.46 H -ATOM 1087 HB2 LEU A 68 7.854 3.810 -7.718 1.00 0.70 H -ATOM 1088 HB3 LEU A 68 7.087 2.718 -6.572 1.00 0.61 H -ATOM 1089 HG LEU A 68 8.667 0.911 -7.439 1.00 0.84 H -ATOM 1090 HD11 LEU A 68 9.770 3.358 -8.814 1.00 1.55 H -ATOM 1091 HD12 LEU A 68 10.816 2.000 -8.406 1.00 1.54 H -ATOM 1092 HD13 LEU A 68 9.451 1.764 -9.497 1.00 1.72 H -ATOM 1093 HD21 LEU A 68 9.102 3.101 -5.619 1.00 1.51 H -ATOM 1094 HD22 LEU A 68 9.685 1.440 -5.500 1.00 1.52 H -ATOM 1095 HD23 LEU A 68 10.636 2.649 -6.363 1.00 1.60 H -ATOM 1096 N LEU A 69 7.140 -0.130 -8.592 1.00 0.40 N -ATOM 1097 CA LEU A 69 7.658 -1.407 -9.164 1.00 0.47 C -ATOM 1098 C LEU A 69 6.966 -1.686 -10.500 1.00 0.51 C -ATOM 1099 O LEU A 69 7.604 -2.009 -11.482 1.00 0.60 O -ATOM 1100 CB LEU A 69 7.375 -2.557 -8.193 1.00 0.47 C -ATOM 1101 CG LEU A 69 8.116 -3.813 -8.658 1.00 1.14 C -ATOM 1102 CD1 LEU A 69 9.613 -3.519 -8.758 1.00 2.02 C -ATOM 1103 CD2 LEU A 69 7.888 -4.941 -7.649 1.00 1.67 C -ATOM 1104 H LEU A 69 6.737 -0.118 -7.696 1.00 0.36 H -ATOM 1105 HA LEU A 69 8.725 -1.324 -9.325 1.00 0.54 H -ATOM 1106 HB2 LEU A 69 7.714 -2.284 -7.204 1.00 0.81 H -ATOM 1107 HB3 LEU A 69 6.314 -2.755 -8.168 1.00 0.89 H -ATOM 1108 HG LEU A 69 7.742 -4.112 -9.627 1.00 1.90 H -ATOM 1109 HD11 LEU A 69 9.892 -2.804 -7.997 1.00 2.49 H -ATOM 1110 HD12 LEU A 69 10.170 -4.432 -8.615 1.00 2.41 H -ATOM 1111 HD13 LEU A 69 9.836 -3.111 -9.733 1.00 2.62 H -ATOM 1112 HD21 LEU A 69 7.158 -4.628 -6.916 1.00 2.08 H -ATOM 1113 HD22 LEU A 69 7.526 -5.818 -8.167 1.00 2.26 H -ATOM 1114 HD23 LEU A 69 8.819 -5.175 -7.155 1.00 2.09 H -ATOM 1115 N ILE A 70 5.669 -1.563 -10.550 1.00 0.47 N -ATOM 1116 CA ILE A 70 4.949 -1.820 -11.829 1.00 0.57 C -ATOM 1117 C ILE A 70 5.506 -0.908 -12.918 1.00 0.65 C -ATOM 1118 O ILE A 70 5.807 -1.348 -14.009 1.00 0.77 O -ATOM 1119 CB ILE A 70 3.457 -1.543 -11.641 1.00 0.55 C -ATOM 1120 CG1 ILE A 70 2.883 -2.521 -10.613 1.00 0.51 C -ATOM 1121 CG2 ILE A 70 2.732 -1.723 -12.975 1.00 0.66 C -ATOM 1122 CD1 ILE A 70 1.506 -2.034 -10.159 1.00 0.54 C -ATOM 1123 H ILE A 70 5.168 -1.298 -9.748 1.00 0.40 H -ATOM 1124 HA ILE A 70 5.091 -2.850 -12.123 1.00 0.62 H -ATOM 1125 HB ILE A 70 3.322 -0.529 -11.290 1.00 0.53 H -ATOM 1126 HG12 ILE A 70 2.791 -3.500 -11.063 1.00 0.59 H -ATOM 1127 HG13 ILE A 70 3.542 -2.576 -9.761 1.00 0.48 H -ATOM 1128 HG21 ILE A 70 3.348 -2.305 -13.643 1.00 1.39 H -ATOM 1129 HG22 ILE A 70 1.795 -2.234 -12.810 1.00 1.07 H -ATOM 1130 HG23 ILE A 70 2.541 -0.755 -13.413 1.00 1.17 H -ATOM 1131 HD11 ILE A 70 1.473 -0.956 -10.207 1.00 1.13 H -ATOM 1132 HD12 ILE A 70 0.747 -2.446 -10.807 1.00 1.23 H -ATOM 1133 HD13 ILE A 70 1.327 -2.356 -9.143 1.00 1.10 H -ATOM 1134 N SER A 71 5.656 0.357 -12.637 1.00 0.63 N -ATOM 1135 CA SER A 71 6.208 1.267 -13.675 1.00 0.76 C -ATOM 1136 C SER A 71 7.569 0.733 -14.108 1.00 0.83 C -ATOM 1137 O SER A 71 7.858 0.612 -15.282 1.00 0.95 O -ATOM 1138 CB SER A 71 6.367 2.674 -13.096 1.00 0.74 C -ATOM 1139 OG SER A 71 5.650 2.763 -11.872 1.00 1.53 O -ATOM 1140 H SER A 71 5.416 0.701 -11.751 1.00 0.55 H -ATOM 1141 HA SER A 71 5.541 1.295 -14.525 1.00 0.83 H -ATOM 1142 HB2 SER A 71 7.410 2.872 -12.912 1.00 1.04 H -ATOM 1143 HB3 SER A 71 5.984 3.398 -13.804 1.00 1.03 H -ATOM 1144 HG SER A 71 6.131 3.354 -11.290 1.00 1.76 H -ATOM 1145 N TYR A 72 8.404 0.395 -13.164 1.00 0.77 N -ATOM 1146 CA TYR A 72 9.740 -0.152 -13.517 1.00 0.87 C -ATOM 1147 C TYR A 72 9.564 -1.398 -14.390 1.00 0.94 C -ATOM 1148 O TYR A 72 10.198 -1.543 -15.415 1.00 1.07 O -ATOM 1149 CB TYR A 72 10.492 -0.525 -12.239 1.00 0.83 C -ATOM 1150 CG TYR A 72 11.736 0.323 -12.119 1.00 1.09 C -ATOM 1151 CD1 TYR A 72 11.626 1.696 -11.868 1.00 1.68 C -ATOM 1152 CD2 TYR A 72 12.998 -0.264 -12.259 1.00 1.74 C -ATOM 1153 CE1 TYR A 72 12.780 2.482 -11.757 1.00 2.03 C -ATOM 1154 CE2 TYR A 72 14.152 0.521 -12.148 1.00 1.99 C -ATOM 1155 CZ TYR A 72 14.043 1.894 -11.896 1.00 1.84 C -ATOM 1156 OH TYR A 72 15.182 2.668 -11.786 1.00 2.25 O -ATOM 1157 H TYR A 72 8.145 0.492 -12.222 1.00 0.68 H -ATOM 1158 HA TYR A 72 10.302 0.594 -14.062 1.00 0.96 H -ATOM 1159 HB2 TYR A 72 9.854 -0.352 -11.384 1.00 0.85 H -ATOM 1160 HB3 TYR A 72 10.770 -1.567 -12.276 1.00 0.87 H -ATOM 1161 HD1 TYR A 72 10.652 2.150 -11.760 1.00 2.29 H -ATOM 1162 HD2 TYR A 72 13.083 -1.323 -12.453 1.00 2.42 H -ATOM 1163 HE1 TYR A 72 12.696 3.541 -11.563 1.00 2.78 H -ATOM 1164 HE2 TYR A 72 15.127 0.067 -12.256 1.00 2.69 H -ATOM 1165 HH TYR A 72 15.556 2.523 -10.914 1.00 2.43 H -ATOM 1166 N GLY A 73 8.699 -2.298 -13.994 1.00 0.88 N -ATOM 1167 CA GLY A 73 8.481 -3.528 -14.806 1.00 0.98 C -ATOM 1168 C GLY A 73 8.060 -3.130 -16.219 1.00 1.10 C -ATOM 1169 O GLY A 73 8.584 -3.624 -17.197 1.00 1.24 O -ATOM 1170 H GLY A 73 8.193 -2.164 -13.166 1.00 0.78 H -ATOM 1171 HA2 GLY A 73 9.397 -4.099 -14.848 1.00 1.05 H -ATOM 1172 HA3 GLY A 73 7.703 -4.125 -14.357 1.00 0.93 H -ATOM 1173 N ILE A 74 7.121 -2.230 -16.334 1.00 1.07 N -ATOM 1174 CA ILE A 74 6.678 -1.795 -17.690 1.00 1.22 C -ATOM 1175 C ILE A 74 7.891 -1.262 -18.459 1.00 1.34 C -ATOM 1176 O ILE A 74 8.114 -1.609 -19.600 1.00 1.50 O -ATOM 1177 CB ILE A 74 5.607 -0.702 -17.560 1.00 1.20 C -ATOM 1178 CG1 ILE A 74 4.248 -1.357 -17.295 1.00 1.37 C -ATOM 1179 CG2 ILE A 74 5.525 0.112 -18.855 1.00 1.50 C -ATOM 1180 CD1 ILE A 74 3.958 -1.347 -15.794 1.00 1.81 C -ATOM 1181 H ILE A 74 6.712 -1.840 -15.529 1.00 0.95 H -ATOM 1182 HA ILE A 74 6.264 -2.643 -18.218 1.00 1.29 H -ATOM 1183 HB ILE A 74 5.858 -0.045 -16.740 1.00 1.42 H -ATOM 1184 HG12 ILE A 74 3.476 -0.808 -17.814 1.00 1.68 H -ATOM 1185 HG13 ILE A 74 4.266 -2.376 -17.649 1.00 1.85 H -ATOM 1186 HG21 ILE A 74 5.698 -0.538 -19.700 1.00 1.93 H -ATOM 1187 HG22 ILE A 74 4.544 0.557 -18.940 1.00 1.99 H -ATOM 1188 HG23 ILE A 74 6.273 0.890 -18.840 1.00 1.84 H -ATOM 1189 HD11 ILE A 74 4.355 -0.444 -15.355 1.00 2.15 H -ATOM 1190 HD12 ILE A 74 2.890 -1.386 -15.633 1.00 2.28 H -ATOM 1191 HD13 ILE A 74 4.421 -2.206 -15.332 1.00 2.29 H -ATOM 1192 N ARG A 75 8.676 -0.423 -17.840 1.00 1.29 N -ATOM 1193 CA ARG A 75 9.878 0.131 -18.532 1.00 1.42 C -ATOM 1194 C ARG A 75 10.776 -1.015 -18.998 1.00 1.52 C -ATOM 1195 O ARG A 75 11.228 -1.035 -20.125 1.00 1.68 O -ATOM 1196 CB ARG A 75 10.658 1.040 -17.578 1.00 1.36 C -ATOM 1197 CG ARG A 75 11.623 1.914 -18.382 1.00 1.61 C -ATOM 1198 CD ARG A 75 13.054 1.412 -18.184 1.00 1.77 C -ATOM 1199 NE ARG A 75 13.332 1.263 -16.727 1.00 1.70 N -ATOM 1200 CZ ARG A 75 14.366 0.573 -16.328 1.00 2.10 C -ATOM 1201 NH1 ARG A 75 15.557 0.864 -16.776 1.00 2.69 N -ATOM 1202 NH2 ARG A 75 14.210 -0.405 -15.480 1.00 2.54 N -ATOM 1203 H ARG A 75 8.476 -0.160 -16.917 1.00 1.17 H -ATOM 1204 HA ARG A 75 9.559 0.701 -19.396 1.00 1.53 H -ATOM 1205 HB2 ARG A 75 9.968 1.671 -17.035 1.00 1.77 H -ATOM 1206 HB3 ARG A 75 11.219 0.435 -16.881 1.00 1.52 H -ATOM 1207 HG2 ARG A 75 11.365 1.864 -19.430 1.00 2.02 H -ATOM 1208 HG3 ARG A 75 11.551 2.936 -18.041 1.00 2.12 H -ATOM 1209 HD2 ARG A 75 13.172 0.457 -18.673 1.00 2.20 H -ATOM 1210 HD3 ARG A 75 13.748 2.123 -18.611 1.00 2.01 H -ATOM 1211 HE ARG A 75 12.738 1.680 -16.070 1.00 1.66 H -ATOM 1212 HH11 ARG A 75 15.677 1.614 -17.426 1.00 3.04 H -ATOM 1213 HH12 ARG A 75 16.349 0.335 -16.471 1.00 3.11 H -ATOM 1214 HH21 ARG A 75 13.297 -0.628 -15.136 1.00 2.81 H -ATOM 1215 HH22 ARG A 75 15.002 -0.934 -15.174 1.00 2.97 H -ATOM 1216 N ARG A 76 11.039 -1.973 -18.150 1.00 1.43 N -ATOM 1217 CA ARG A 76 11.906 -3.104 -18.580 1.00 1.55 C -ATOM 1218 C ARG A 76 11.275 -3.729 -19.819 1.00 1.67 C -ATOM 1219 O ARG A 76 11.926 -3.948 -20.820 1.00 1.83 O -ATOM 1220 CB ARG A 76 11.991 -4.145 -17.460 1.00 1.45 C -ATOM 1221 CG ARG A 76 13.012 -5.220 -17.838 1.00 1.62 C -ATOM 1222 CD ARG A 76 13.707 -5.731 -16.573 1.00 1.72 C -ATOM 1223 NE ARG A 76 14.771 -6.708 -16.944 1.00 2.17 N -ATOM 1224 CZ ARG A 76 14.588 -7.531 -17.942 1.00 2.50 C -ATOM 1225 NH1 ARG A 76 13.906 -8.628 -17.765 1.00 2.89 N -ATOM 1226 NH2 ARG A 76 15.087 -7.255 -19.116 1.00 3.17 N -ATOM 1227 H ARG A 76 10.666 -1.950 -17.243 1.00 1.30 H -ATOM 1228 HA ARG A 76 12.894 -2.738 -18.818 1.00 1.63 H -ATOM 1229 HB2 ARG A 76 12.299 -3.662 -16.543 1.00 1.45 H -ATOM 1230 HB3 ARG A 76 11.024 -4.602 -17.319 1.00 1.41 H -ATOM 1231 HG2 ARG A 76 12.506 -6.040 -18.328 1.00 1.82 H -ATOM 1232 HG3 ARG A 76 13.748 -4.800 -18.506 1.00 2.06 H -ATOM 1233 HD2 ARG A 76 14.152 -4.900 -16.048 1.00 2.19 H -ATOM 1234 HD3 ARG A 76 12.981 -6.214 -15.935 1.00 2.00 H -ATOM 1235 HE ARG A 76 15.611 -6.733 -16.438 1.00 2.74 H -ATOM 1236 HH11 ARG A 76 13.523 -8.841 -16.865 1.00 3.01 H -ATOM 1237 HH12 ARG A 76 13.765 -9.259 -18.529 1.00 3.47 H -ATOM 1238 HH21 ARG A 76 15.610 -6.413 -19.253 1.00 3.47 H -ATOM 1239 HH22 ARG A 76 14.946 -7.885 -19.880 1.00 3.71 H -ATOM 1240 N LEU A 77 9.997 -3.976 -19.771 1.00 1.62 N -ATOM 1241 CA LEU A 77 9.304 -4.538 -20.959 1.00 1.76 C -ATOM 1242 C LEU A 77 9.532 -3.582 -22.129 1.00 1.92 C -ATOM 1243 O LEU A 77 9.858 -3.993 -23.223 1.00 2.09 O -ATOM 1244 CB LEU A 77 7.806 -4.653 -20.673 1.00 1.69 C -ATOM 1245 CG LEU A 77 7.473 -6.083 -20.247 1.00 1.72 C -ATOM 1246 CD1 LEU A 77 6.135 -6.095 -19.505 1.00 1.72 C -ATOM 1247 CD2 LEU A 77 7.377 -6.973 -21.488 1.00 2.01 C -ATOM 1248 H LEU A 77 9.486 -3.761 -18.963 1.00 1.49 H -ATOM 1249 HA LEU A 77 9.710 -5.510 -21.195 1.00 1.83 H -ATOM 1250 HB2 LEU A 77 7.537 -3.969 -19.881 1.00 1.59 H -ATOM 1251 HB3 LEU A 77 7.249 -4.407 -21.565 1.00 1.80 H -ATOM 1252 HG LEU A 77 8.251 -6.454 -19.594 1.00 1.71 H -ATOM 1253 HD11 LEU A 77 5.630 -5.153 -19.660 1.00 1.99 H -ATOM 1254 HD12 LEU A 77 5.521 -6.900 -19.882 1.00 2.11 H -ATOM 1255 HD13 LEU A 77 6.311 -6.240 -18.449 1.00 1.93 H -ATOM 1256 HD21 LEU A 77 8.122 -6.669 -22.208 1.00 2.56 H -ATOM 1257 HD22 LEU A 77 7.546 -8.001 -21.207 1.00 2.23 H -ATOM 1258 HD23 LEU A 77 6.393 -6.876 -21.925 1.00 2.13 H -ATOM 1259 N ILE A 78 9.346 -2.306 -21.877 1.00 1.89 N -ATOM 1260 CA ILE A 78 9.524 -1.246 -22.916 1.00 2.07 C -ATOM 1261 C ILE A 78 8.176 -0.941 -23.564 1.00 2.17 C -ATOM 1262 O ILE A 78 7.685 -1.678 -24.395 1.00 2.50 O -ATOM 1263 CB ILE A 78 10.538 -1.679 -23.975 1.00 2.14 C -ATOM 1264 CG1 ILE A 78 11.830 -2.106 -23.276 1.00 2.13 C -ATOM 1265 CG2 ILE A 78 10.830 -0.501 -24.905 1.00 2.25 C -ATOM 1266 CD1 ILE A 78 12.293 -3.457 -23.824 1.00 2.38 C -ATOM 1267 H ILE A 78 9.078 -2.040 -20.976 1.00 1.77 H -ATOM 1268 HA ILE A 78 9.885 -0.348 -22.433 1.00 2.26 H -ATOM 1269 HB ILE A 78 10.139 -2.498 -24.549 1.00 2.30 H -ATOM 1270 HG12 ILE A 78 12.595 -1.363 -23.453 1.00 2.27 H -ATOM 1271 HG13 ILE A 78 11.651 -2.190 -22.212 1.00 2.04 H -ATOM 1272 HG21 ILE A 78 10.468 0.412 -24.455 1.00 2.53 H -ATOM 1273 HG22 ILE A 78 11.895 -0.425 -25.067 1.00 2.38 H -ATOM 1274 HG23 ILE A 78 10.332 -0.656 -25.851 1.00 2.56 H -ATOM 1275 HD11 ILE A 78 11.693 -3.722 -24.683 1.00 2.64 H -ATOM 1276 HD12 ILE A 78 13.331 -3.392 -24.117 1.00 2.66 H -ATOM 1277 HD13 ILE A 78 12.181 -4.213 -23.061 1.00 2.72 H -ATOM 1278 N LYS A 79 7.572 0.147 -23.170 1.00 2.25 N -ATOM 1279 CA LYS A 79 6.247 0.522 -23.735 1.00 2.60 C -ATOM 1280 C LYS A 79 6.445 1.288 -25.045 1.00 2.97 C -ATOM 1281 O LYS A 79 7.143 2.281 -25.094 1.00 3.27 O -ATOM 1282 CB LYS A 79 5.505 1.407 -22.730 1.00 2.80 C -ATOM 1283 CG LYS A 79 3.998 1.172 -22.853 1.00 3.38 C -ATOM 1284 CD LYS A 79 3.248 2.201 -22.003 1.00 3.94 C -ATOM 1285 CE LYS A 79 2.282 2.990 -22.891 1.00 4.56 C -ATOM 1286 NZ LYS A 79 1.757 4.161 -22.134 1.00 5.22 N -ATOM 1287 H LYS A 79 7.993 0.717 -22.493 1.00 2.32 H -ATOM 1288 HA LYS A 79 5.669 -0.371 -23.923 1.00 2.72 H -ATOM 1289 HB2 LYS A 79 5.829 1.162 -21.726 1.00 2.65 H -ATOM 1290 HB3 LYS A 79 5.723 2.445 -22.934 1.00 3.01 H -ATOM 1291 HG2 LYS A 79 3.702 1.271 -23.886 1.00 3.67 H -ATOM 1292 HG3 LYS A 79 3.760 0.178 -22.503 1.00 3.67 H -ATOM 1293 HD2 LYS A 79 2.693 1.693 -21.228 1.00 4.28 H -ATOM 1294 HD3 LYS A 79 3.956 2.880 -21.553 1.00 4.08 H -ATOM 1295 HE2 LYS A 79 2.803 3.334 -23.771 1.00 4.79 H -ATOM 1296 HE3 LYS A 79 1.461 2.353 -23.183 1.00 4.75 H -ATOM 1297 HZ1 LYS A 79 2.549 4.760 -21.827 1.00 5.33 H -ATOM 1298 HZ2 LYS A 79 1.124 4.714 -22.746 1.00 5.57 H -ATOM 1299 HZ3 LYS A 79 1.230 3.827 -21.301 1.00 5.57 H -ATOM 1300 N LYS A 80 5.839 0.828 -26.107 1.00 3.27 N -ATOM 1301 CA LYS A 80 5.992 1.524 -27.419 1.00 3.83 C -ATOM 1302 C LYS A 80 7.450 1.434 -27.874 1.00 4.00 C -ATOM 1303 O LYS A 80 7.894 2.347 -28.552 1.00 4.36 O -ATOM 1304 CB LYS A 80 5.593 3.000 -27.279 1.00 4.43 C -ATOM 1305 CG LYS A 80 4.118 3.112 -26.883 1.00 5.03 C -ATOM 1306 CD LYS A 80 3.235 2.626 -28.036 1.00 5.77 C -ATOM 1307 CE LYS A 80 1.930 2.054 -27.477 1.00 6.68 C -ATOM 1308 NZ LYS A 80 1.045 3.172 -27.041 1.00 7.38 N -ATOM 1309 OXT LYS A 80 8.096 0.455 -27.539 1.00 4.28 O -ATOM 1310 H LYS A 80 5.287 0.019 -26.042 1.00 3.31 H -ATOM 1311 HA LYS A 80 5.359 1.049 -28.154 1.00 4.17 H -ATOM 1312 HB2 LYS A 80 6.206 3.467 -26.523 1.00 4.57 H -ATOM 1313 HB3 LYS A 80 5.747 3.502 -28.223 1.00 4.74 H -ATOM 1314 HG2 LYS A 80 3.930 2.510 -26.006 1.00 5.27 H -ATOM 1315 HG3 LYS A 80 3.882 4.143 -26.666 1.00 5.11 H -ATOM 1316 HD2 LYS A 80 3.014 3.455 -28.693 1.00 5.83 H -ATOM 1317 HD3 LYS A 80 3.754 1.858 -28.589 1.00 5.97 H -ATOM 1318 HE2 LYS A 80 1.432 1.480 -28.244 1.00 6.97 H -ATOM 1319 HE3 LYS A 80 2.149 1.417 -26.633 1.00 6.87 H -ATOM 1320 HZ1 LYS A 80 1.552 4.074 -27.134 1.00 7.46 H -ATOM 1321 HZ2 LYS A 80 0.192 3.188 -27.637 1.00 7.83 H -ATOM 1322 HZ3 LYS A 80 0.772 3.030 -26.048 1.00 7.60 H +ATOM 1 N VAL A 1 12.162 16.589 0.670 1.00 18.74 N +ATOM 2 CA VAL A 1 11.590 15.665 1.689 1.00 18.11 C +ATOM 3 C VAL A 1 12.021 16.118 3.088 1.00 17.30 C +ATOM 4 O VAL A 1 13.032 15.688 3.605 1.00 17.26 O +ATOM 5 CB VAL A 1 12.101 14.245 1.430 1.00 18.42 C +ATOM 6 CG1 VAL A 1 13.613 14.278 1.206 1.00 18.58 C +ATOM 7 CG2 VAL A 1 11.784 13.359 2.636 1.00 18.59 C +ATOM 8 H1 VAL A 1 13.066 16.970 1.016 1.00 18.63 H +ATOM 9 H2 VAL A 1 12.320 16.071 -0.218 1.00 19.07 H +ATOM 10 H3 VAL A 1 11.499 17.370 0.499 1.00 19.08 H +ATOM 11 HA VAL A 1 10.512 15.675 1.621 1.00 18.15 H +ATOM 12 HB VAL A 1 11.617 13.845 0.550 1.00 18.56 H +ATOM 13 HG11 VAL A 1 14.041 15.107 1.752 1.00 18.56 H +ATOM 14 HG12 VAL A 1 14.050 13.354 1.557 1.00 18.83 H +ATOM 15 HG13 VAL A 1 13.820 14.397 0.153 1.00 18.58 H +ATOM 16 HG21 VAL A 1 10.757 13.506 2.932 1.00 18.63 H +ATOM 17 HG22 VAL A 1 11.938 12.323 2.372 1.00 18.86 H +ATOM 18 HG23 VAL A 1 12.436 13.621 3.457 1.00 18.54 H +ATOM 19 N GLN A 2 11.261 16.984 3.704 1.00 16.78 N +ATOM 20 CA GLN A 2 11.631 17.463 5.067 1.00 16.11 C +ATOM 21 C GLN A 2 10.724 16.801 6.106 1.00 15.69 C +ATOM 22 O GLN A 2 10.663 17.213 7.247 1.00 15.68 O +ATOM 23 CB GLN A 2 11.470 18.985 5.135 1.00 16.10 C +ATOM 24 CG GLN A 2 11.838 19.490 6.535 1.00 15.49 C +ATOM 25 CD GLN A 2 13.118 18.804 7.015 1.00 15.09 C +ATOM 26 OE1 GLN A 2 14.187 19.049 6.492 1.00 15.39 O +ATOM 27 NE2 GLN A 2 13.054 17.947 7.997 1.00 14.56 N +ATOM 28 H GLN A 2 10.449 17.321 3.271 1.00 16.93 H +ATOM 29 HA GLN A 2 12.657 17.200 5.271 1.00 16.10 H +ATOM 30 HB2 GLN A 2 12.118 19.447 4.404 1.00 16.14 H +ATOM 31 HB3 GLN A 2 10.444 19.246 4.920 1.00 16.63 H +ATOM 32 HG2 GLN A 2 11.997 20.559 6.499 1.00 15.60 H +ATOM 33 HG3 GLN A 2 11.035 19.270 7.221 1.00 15.40 H +ATOM 34 HE21 GLN A 2 12.192 17.748 8.419 1.00 14.40 H +ATOM 35 HE22 GLN A 2 13.868 17.501 8.313 1.00 14.42 H +ATOM 36 N LEU A 3 10.021 15.774 5.719 1.00 15.49 N +ATOM 37 CA LEU A 3 9.120 15.081 6.683 1.00 15.26 C +ATOM 38 C LEU A 3 8.306 16.118 7.460 1.00 14.77 C +ATOM 39 O LEU A 3 8.245 17.275 7.093 1.00 14.94 O +ATOM 40 CB LEU A 3 9.960 14.255 7.661 1.00 15.58 C +ATOM 41 CG LEU A 3 9.549 12.785 7.576 1.00 15.97 C +ATOM 42 CD1 LEU A 3 10.148 12.156 6.316 1.00 16.71 C +ATOM 43 CD2 LEU A 3 10.065 12.041 8.810 1.00 16.05 C +ATOM 44 H LEU A 3 10.089 15.457 4.795 1.00 15.59 H +ATOM 45 HA LEU A 3 8.450 14.428 6.144 1.00 15.38 H +ATOM 46 HB2 LEU A 3 11.006 14.353 7.407 1.00 15.74 H +ATOM 47 HB3 LEU A 3 9.798 14.615 8.666 1.00 15.55 H +ATOM 48 HG LEU A 3 8.471 12.715 7.536 1.00 15.84 H +ATOM 49 HD11 LEU A 3 11.219 12.297 6.318 1.00 16.93 H +ATOM 50 HD12 LEU A 3 9.924 11.099 6.301 1.00 16.80 H +ATOM 51 HD13 LEU A 3 9.724 12.628 5.443 1.00 17.03 H +ATOM 52 HD21 LEU A 3 9.809 12.598 9.699 1.00 16.08 H +ATOM 53 HD22 LEU A 3 9.612 11.061 8.856 1.00 15.96 H +ATOM 54 HD23 LEU A 3 11.139 11.939 8.745 1.00 16.30 H +ATOM 55 N ALA A 4 7.681 15.713 8.532 1.00 14.32 N +ATOM 56 CA ALA A 4 6.872 16.676 9.333 1.00 14.03 C +ATOM 57 C ALA A 4 6.605 16.085 10.719 1.00 13.34 C +ATOM 58 O ALA A 4 5.585 16.344 11.329 1.00 13.29 O +ATOM 59 CB ALA A 4 5.542 16.939 8.625 1.00 14.31 C +ATOM 60 H ALA A 4 7.743 14.776 8.811 1.00 14.30 H +ATOM 61 HA ALA A 4 7.415 17.605 9.435 1.00 14.29 H +ATOM 62 HB1 ALA A 4 5.481 16.332 7.735 1.00 14.32 H +ATOM 63 HB2 ALA A 4 4.726 16.690 9.287 1.00 14.34 H +ATOM 64 HB3 ALA A 4 5.478 17.983 8.353 1.00 14.64 H +ATOM 65 N HIS A 5 7.515 15.295 11.222 1.00 12.98 N +ATOM 66 CA HIS A 5 7.318 14.688 12.568 1.00 12.48 C +ATOM 67 C HIS A 5 8.679 14.309 13.156 1.00 11.62 C +ATOM 68 O HIS A 5 9.708 14.518 12.545 1.00 11.76 O +ATOM 69 CB HIS A 5 6.450 13.434 12.442 1.00 12.81 C +ATOM 70 CG HIS A 5 5.000 13.830 12.378 1.00 13.36 C +ATOM 71 ND1 HIS A 5 4.333 14.002 11.175 1.00 13.57 N +ATOM 72 CD2 HIS A 5 4.075 14.085 13.359 1.00 13.93 C +ATOM 73 CE1 HIS A 5 3.064 14.346 11.461 1.00 14.23 C +ATOM 74 NE2 HIS A 5 2.852 14.410 12.778 1.00 14.47 N +ATOM 75 H HIS A 5 8.329 15.103 10.712 1.00 13.15 H +ATOM 76 HA HIS A 5 6.831 15.399 13.218 1.00 12.71 H +ATOM 77 HB2 HIS A 5 6.718 12.902 11.541 1.00 13.05 H +ATOM 78 HB3 HIS A 5 6.612 12.797 13.298 1.00 12.61 H +ATOM 79 HD1 HIS A 5 4.716 13.896 10.279 1.00 13.40 H +ATOM 80 HD2 HIS A 5 4.266 14.042 14.422 1.00 14.07 H +ATOM 81 HE1 HIS A 5 2.307 14.545 10.716 1.00 14.63 H +ATOM 82 N HIS A 6 8.696 13.753 14.337 1.00 10.90 N +ATOM 83 CA HIS A 6 9.996 13.365 14.954 1.00 10.21 C +ATOM 84 C HIS A 6 9.781 12.968 16.417 1.00 9.43 C +ATOM 85 O HIS A 6 10.183 11.906 16.846 1.00 9.32 O +ATOM 86 CB HIS A 6 10.961 14.552 14.889 1.00 10.37 C +ATOM 87 CG HIS A 6 12.242 14.123 14.231 1.00 10.53 C +ATOM 88 ND1 HIS A 6 13.310 13.614 14.954 1.00 10.58 N +ATOM 89 CD2 HIS A 6 12.644 14.121 12.918 1.00 10.88 C +ATOM 90 CE1 HIS A 6 14.292 13.329 14.080 1.00 10.97 C +ATOM 91 NE2 HIS A 6 13.939 13.620 12.826 1.00 11.15 N +ATOM 92 H HIS A 6 7.856 13.591 14.817 1.00 10.94 H +ATOM 93 HA HIS A 6 10.417 12.532 14.412 1.00 10.38 H +ATOM 94 HB2 HIS A 6 10.510 15.350 14.316 1.00 10.69 H +ATOM 95 HB3 HIS A 6 11.169 14.900 15.889 1.00 10.30 H +ATOM 96 HD1 HIS A 6 13.343 13.486 15.925 1.00 10.50 H +ATOM 97 HD2 HIS A 6 12.046 14.457 12.084 1.00 11.09 H +ATOM 98 HE1 HIS A 6 15.251 12.916 14.360 1.00 11.25 H +ATOM 99 N PHE A 7 9.158 13.817 17.187 1.00 9.11 N +ATOM 100 CA PHE A 7 8.928 13.491 18.623 1.00 8.55 C +ATOM 101 C PHE A 7 7.941 12.326 18.743 1.00 7.46 C +ATOM 102 O PHE A 7 7.042 12.177 17.939 1.00 7.39 O +ATOM 103 CB PHE A 7 8.356 14.717 19.338 1.00 8.98 C +ATOM 104 CG PHE A 7 9.476 15.474 20.011 1.00 9.76 C +ATOM 105 CD1 PHE A 7 10.321 16.294 19.253 1.00 10.29 C +ATOM 106 CD2 PHE A 7 9.669 15.357 21.393 1.00 10.19 C +ATOM 107 CE1 PHE A 7 11.358 16.997 19.876 1.00 11.19 C +ATOM 108 CE2 PHE A 7 10.708 16.060 22.017 1.00 11.10 C +ATOM 109 CZ PHE A 7 11.553 16.879 21.258 1.00 11.57 C +ATOM 110 H PHE A 7 8.847 14.673 16.823 1.00 9.39 H +ATOM 111 HA PHE A 7 9.868 13.216 19.080 1.00 8.86 H +ATOM 112 HB2 PHE A 7 7.868 15.358 18.619 1.00 9.18 H +ATOM 113 HB3 PHE A 7 7.640 14.399 20.081 1.00 8.77 H +ATOM 114 HD1 PHE A 7 10.172 16.384 18.187 1.00 10.16 H +ATOM 115 HD2 PHE A 7 9.018 14.724 21.978 1.00 9.98 H +ATOM 116 HE1 PHE A 7 12.010 17.629 19.291 1.00 11.72 H +ATOM 117 HE2 PHE A 7 10.858 15.970 23.082 1.00 11.57 H +ATOM 118 HZ PHE A 7 12.354 17.421 21.739 1.00 12.35 H +ATOM 119 N SER A 8 8.099 11.502 19.744 1.00 6.86 N +ATOM 120 CA SER A 8 7.170 10.350 19.924 1.00 6.01 C +ATOM 121 C SER A 8 7.061 9.557 18.620 1.00 5.07 C +ATOM 122 O SER A 8 7.602 9.938 17.600 1.00 5.28 O +ATOM 123 CB SER A 8 5.787 10.870 20.317 1.00 6.54 C +ATOM 124 OG SER A 8 5.074 11.237 19.144 1.00 7.08 O +ATOM 125 H SER A 8 8.829 11.643 20.384 1.00 7.15 H +ATOM 126 HA SER A 8 7.545 9.705 20.704 1.00 6.02 H +ATOM 127 HB2 SER A 8 5.243 10.099 20.834 1.00 6.79 H +ATOM 128 HB3 SER A 8 5.897 11.728 20.968 1.00 6.61 H +ATOM 129 HG SER A 8 4.178 11.470 19.401 1.00 7.42 H +ATOM 130 N GLU A 9 6.360 8.456 18.647 1.00 4.41 N +ATOM 131 CA GLU A 9 6.206 7.633 17.416 1.00 3.84 C +ATOM 132 C GLU A 9 4.715 7.484 17.092 1.00 2.84 C +ATOM 133 O GLU A 9 4.057 6.605 17.611 1.00 3.00 O +ATOM 134 CB GLU A 9 6.814 6.248 17.649 1.00 4.55 C +ATOM 135 CG GLU A 9 8.251 6.397 18.149 1.00 5.41 C +ATOM 136 CD GLU A 9 9.076 5.192 17.696 1.00 6.00 C +ATOM 137 OE1 GLU A 9 9.595 5.236 16.592 1.00 6.49 O +ATOM 138 OE2 GLU A 9 9.175 4.246 18.459 1.00 6.28 O +ATOM 139 H GLU A 9 5.932 8.171 19.482 1.00 4.61 H +ATOM 140 HA GLU A 9 6.711 8.114 16.592 1.00 4.12 H +ATOM 141 HB2 GLU A 9 6.228 5.717 18.385 1.00 4.86 H +ATOM 142 HB3 GLU A 9 6.813 5.694 16.722 1.00 4.60 H +ATOM 143 HG2 GLU A 9 8.680 7.302 17.746 1.00 5.70 H +ATOM 144 HG3 GLU A 9 8.253 6.447 19.228 1.00 5.72 H +ATOM 145 N PRO A 10 4.226 8.354 16.243 1.00 2.18 N +ATOM 146 CA PRO A 10 2.810 8.340 15.838 1.00 1.51 C +ATOM 147 C PRO A 10 2.458 7.010 15.165 1.00 1.23 C +ATOM 148 O PRO A 10 2.811 6.762 14.028 1.00 1.13 O +ATOM 149 CB PRO A 10 2.675 9.502 14.843 1.00 1.87 C +ATOM 150 CG PRO A 10 4.071 10.160 14.695 1.00 2.49 C +ATOM 151 CD PRO A 10 5.041 9.412 15.622 1.00 2.65 C +ATOM 152 HA PRO A 10 2.172 8.513 16.690 1.00 1.77 H +ATOM 153 HB2 PRO A 10 2.338 9.126 13.888 1.00 2.10 H +ATOM 154 HB3 PRO A 10 1.972 10.228 15.221 1.00 2.10 H +ATOM 155 HG2 PRO A 10 4.405 10.080 13.670 1.00 3.08 H +ATOM 156 HG3 PRO A 10 4.020 11.198 14.984 1.00 2.65 H +ATOM 157 HD2 PRO A 10 5.850 8.981 15.049 1.00 3.25 H +ATOM 158 HD3 PRO A 10 5.426 10.077 16.380 1.00 2.87 H +ATOM 159 N GLU A 11 1.758 6.154 15.859 1.00 1.29 N +ATOM 160 CA GLU A 11 1.380 4.845 15.258 1.00 1.13 C +ATOM 161 C GLU A 11 0.687 5.089 13.917 1.00 1.00 C +ATOM 162 O GLU A 11 0.893 4.370 12.959 1.00 0.97 O +ATOM 163 CB GLU A 11 0.426 4.108 16.200 1.00 1.32 C +ATOM 164 CG GLU A 11 1.203 3.589 17.411 1.00 1.94 C +ATOM 165 CD GLU A 11 1.030 4.557 18.583 1.00 2.47 C +ATOM 166 OE1 GLU A 11 0.067 4.403 19.316 1.00 2.89 O +ATOM 167 OE2 GLU A 11 1.863 5.436 18.726 1.00 3.01 O +ATOM 168 H GLU A 11 1.480 6.373 16.773 1.00 1.55 H +ATOM 169 HA GLU A 11 2.266 4.249 15.102 1.00 1.09 H +ATOM 170 HB2 GLU A 11 -0.348 4.785 16.531 1.00 1.69 H +ATOM 171 HB3 GLU A 11 -0.024 3.275 15.679 1.00 1.69 H +ATOM 172 HG2 GLU A 11 0.828 2.614 17.688 1.00 2.39 H +ATOM 173 HG3 GLU A 11 2.251 3.513 17.160 1.00 2.45 H +ATOM 174 N ILE A 12 -0.133 6.101 13.839 1.00 0.99 N +ATOM 175 CA ILE A 12 -0.837 6.398 12.569 1.00 0.91 C +ATOM 176 C ILE A 12 0.179 6.773 11.488 1.00 0.80 C +ATOM 177 O ILE A 12 0.103 6.313 10.369 1.00 0.74 O +ATOM 178 CB ILE A 12 -1.797 7.564 12.793 1.00 1.03 C +ATOM 179 CG1 ILE A 12 -2.739 7.663 11.602 1.00 1.05 C +ATOM 180 CG2 ILE A 12 -1.004 8.867 12.929 1.00 1.28 C +ATOM 181 CD1 ILE A 12 -3.853 6.627 11.755 1.00 1.48 C +ATOM 182 H ILE A 12 -0.288 6.670 14.619 1.00 1.08 H +ATOM 183 HA ILE A 12 -1.395 5.528 12.254 1.00 0.89 H +ATOM 184 HB ILE A 12 -2.367 7.393 13.695 1.00 1.22 H +ATOM 185 HG12 ILE A 12 -3.166 8.653 11.564 1.00 1.37 H +ATOM 186 HG13 ILE A 12 -2.190 7.468 10.695 1.00 1.18 H +ATOM 187 HG21 ILE A 12 -0.262 8.757 13.707 1.00 1.67 H +ATOM 188 HG22 ILE A 12 -0.514 9.090 11.993 1.00 1.67 H +ATOM 189 HG23 ILE A 12 -1.677 9.673 13.185 1.00 1.72 H +ATOM 190 HD11 ILE A 12 -3.597 5.942 12.550 1.00 1.86 H +ATOM 191 HD12 ILE A 12 -4.780 7.127 11.993 1.00 2.05 H +ATOM 192 HD13 ILE A 12 -3.965 6.080 10.831 1.00 1.87 H +ATOM 193 N THR A 13 1.128 7.610 11.811 1.00 0.81 N +ATOM 194 CA THR A 13 2.138 8.010 10.793 1.00 0.76 C +ATOM 195 C THR A 13 2.835 6.763 10.245 1.00 0.68 C +ATOM 196 O THR A 13 2.992 6.607 9.051 1.00 0.62 O +ATOM 197 CB THR A 13 3.174 8.942 11.427 1.00 0.86 C +ATOM 198 OG1 THR A 13 3.745 8.311 12.563 1.00 1.35 O +ATOM 199 CG2 THR A 13 2.496 10.248 11.847 1.00 1.19 C +ATOM 200 H THR A 13 1.173 7.975 12.719 1.00 0.89 H +ATOM 201 HA THR A 13 1.642 8.526 9.983 1.00 0.74 H +ATOM 202 HB THR A 13 3.948 9.160 10.709 1.00 1.13 H +ATOM 203 HG1 THR A 13 4.449 7.733 12.258 1.00 1.84 H +ATOM 204 HG21 THR A 13 1.589 10.024 12.390 1.00 1.65 H +ATOM 205 HG22 THR A 13 3.163 10.814 12.479 1.00 1.61 H +ATOM 206 HG23 THR A 13 2.254 10.827 10.968 1.00 1.72 H +ATOM 207 N LEU A 14 3.259 5.873 11.103 1.00 0.72 N +ATOM 208 CA LEU A 14 3.946 4.645 10.604 1.00 0.69 C +ATOM 209 C LEU A 14 2.949 3.778 9.835 1.00 0.58 C +ATOM 210 O LEU A 14 3.231 3.324 8.745 1.00 0.50 O +ATOM 211 CB LEU A 14 4.511 3.843 11.782 1.00 0.82 C +ATOM 212 CG LEU A 14 5.693 2.991 11.307 1.00 0.88 C +ATOM 213 CD1 LEU A 14 6.011 1.928 12.361 1.00 0.87 C +ATOM 214 CD2 LEU A 14 5.337 2.303 9.986 1.00 1.02 C +ATOM 215 H LEU A 14 3.127 6.011 12.066 1.00 0.80 H +ATOM 216 HA LEU A 14 4.751 4.926 9.941 1.00 0.67 H +ATOM 217 HB2 LEU A 14 4.844 4.522 12.553 1.00 1.22 H +ATOM 218 HB3 LEU A 14 3.742 3.198 12.178 1.00 0.83 H +ATOM 219 HG LEU A 14 6.557 3.624 11.165 1.00 1.30 H +ATOM 220 HD11 LEU A 14 5.565 2.209 13.303 1.00 1.27 H +ATOM 221 HD12 LEU A 14 5.611 0.976 12.042 1.00 1.28 H +ATOM 222 HD13 LEU A 14 7.081 1.847 12.477 1.00 1.34 H +ATOM 223 HD21 LEU A 14 4.341 1.893 10.050 1.00 1.44 H +ATOM 224 HD22 LEU A 14 5.379 3.024 9.183 1.00 1.64 H +ATOM 225 HD23 LEU A 14 6.043 1.509 9.793 1.00 1.43 H +ATOM 226 N ILE A 15 1.783 3.547 10.377 1.00 0.62 N +ATOM 227 CA ILE A 15 0.798 2.715 9.636 1.00 0.57 C +ATOM 228 C ILE A 15 0.547 3.368 8.278 1.00 0.45 C +ATOM 229 O ILE A 15 0.596 2.726 7.246 1.00 0.38 O +ATOM 230 CB ILE A 15 -0.513 2.634 10.425 1.00 0.69 C +ATOM 231 CG1 ILE A 15 -0.268 1.887 11.739 1.00 0.91 C +ATOM 232 CG2 ILE A 15 -1.558 1.881 9.599 1.00 0.76 C +ATOM 233 CD1 ILE A 15 -1.449 2.116 12.684 1.00 1.10 C +ATOM 234 H ILE A 15 1.558 3.923 11.255 1.00 0.71 H +ATOM 235 HA ILE A 15 1.198 1.722 9.492 1.00 0.58 H +ATOM 236 HB ILE A 15 -0.871 3.630 10.636 1.00 0.63 H +ATOM 237 HG12 ILE A 15 -0.165 0.830 11.538 1.00 0.92 H +ATOM 238 HG13 ILE A 15 0.636 2.256 12.200 1.00 0.98 H +ATOM 239 HG21 ILE A 15 -1.137 0.950 9.248 1.00 1.24 H +ATOM 240 HG22 ILE A 15 -2.422 1.676 10.214 1.00 1.27 H +ATOM 241 HG23 ILE A 15 -1.853 2.485 8.754 1.00 1.35 H +ATOM 242 HD11 ILE A 15 -2.373 2.041 12.129 1.00 1.66 H +ATOM 243 HD12 ILE A 15 -1.436 1.369 13.463 1.00 1.56 H +ATOM 244 HD13 ILE A 15 -1.372 3.098 13.125 1.00 1.37 H +ATOM 245 N ILE A 16 0.311 4.653 8.269 1.00 0.44 N +ATOM 246 CA ILE A 16 0.095 5.364 6.981 1.00 0.36 C +ATOM 247 C ILE A 16 1.321 5.152 6.095 1.00 0.28 C +ATOM 248 O ILE A 16 1.216 4.831 4.927 1.00 0.25 O +ATOM 249 CB ILE A 16 -0.093 6.859 7.243 1.00 0.39 C +ATOM 250 CG1 ILE A 16 -1.440 7.089 7.931 1.00 1.21 C +ATOM 251 CG2 ILE A 16 -0.063 7.617 5.915 1.00 1.18 C +ATOM 252 CD1 ILE A 16 -1.570 8.564 8.316 1.00 1.58 C +ATOM 253 H ILE A 16 0.299 5.153 9.111 1.00 0.50 H +ATOM 254 HA ILE A 16 -0.782 4.967 6.488 1.00 0.38 H +ATOM 255 HB ILE A 16 0.705 7.215 7.879 1.00 0.83 H +ATOM 256 HG12 ILE A 16 -2.240 6.820 7.256 1.00 1.92 H +ATOM 257 HG13 ILE A 16 -1.500 6.481 8.821 1.00 1.86 H +ATOM 258 HG21 ILE A 16 0.152 6.928 5.112 1.00 1.76 H +ATOM 259 HG22 ILE A 16 -1.022 8.082 5.744 1.00 1.82 H +ATOM 260 HG23 ILE A 16 0.704 8.377 5.952 1.00 1.61 H +ATOM 261 HD11 ILE A 16 -1.346 9.181 7.458 1.00 2.05 H +ATOM 262 HD12 ILE A 16 -2.579 8.761 8.649 1.00 2.07 H +ATOM 263 HD13 ILE A 16 -0.877 8.789 9.112 1.00 2.00 H +ATOM 264 N PHE A 17 2.490 5.338 6.651 1.00 0.31 N +ATOM 265 CA PHE A 17 3.737 5.156 5.858 1.00 0.32 C +ATOM 266 C PHE A 17 3.768 3.745 5.274 1.00 0.30 C +ATOM 267 O PHE A 17 4.042 3.555 4.108 1.00 0.30 O +ATOM 268 CB PHE A 17 4.960 5.359 6.757 1.00 0.41 C +ATOM 269 CG PHE A 17 5.322 6.825 6.795 1.00 0.80 C +ATOM 270 CD1 PHE A 17 4.315 7.795 6.880 1.00 1.52 C +ATOM 271 CD2 PHE A 17 6.666 7.215 6.742 1.00 1.66 C +ATOM 272 CE1 PHE A 17 4.653 9.154 6.913 1.00 1.97 C +ATOM 273 CE2 PHE A 17 7.004 8.573 6.775 1.00 2.09 C +ATOM 274 CZ PHE A 17 5.997 9.542 6.860 1.00 1.95 C +ATOM 275 H PHE A 17 2.543 5.599 7.594 1.00 0.36 H +ATOM 276 HA PHE A 17 3.759 5.877 5.054 1.00 0.32 H +ATOM 277 HB2 PHE A 17 4.737 5.017 7.757 1.00 0.65 H +ATOM 278 HB3 PHE A 17 5.792 4.796 6.363 1.00 0.64 H +ATOM 279 HD1 PHE A 17 3.278 7.495 6.921 1.00 2.18 H +ATOM 280 HD2 PHE A 17 7.442 6.467 6.677 1.00 2.34 H +ATOM 281 HE1 PHE A 17 3.877 9.901 6.979 1.00 2.73 H +ATOM 282 HE2 PHE A 17 8.041 8.873 6.734 1.00 2.89 H +ATOM 283 HZ PHE A 17 6.258 10.590 6.885 1.00 2.41 H +ATOM 284 N GLY A 18 3.488 2.750 6.072 1.00 0.31 N +ATOM 285 CA GLY A 18 3.506 1.359 5.538 1.00 0.32 C +ATOM 286 C GLY A 18 2.538 1.266 4.358 1.00 0.26 C +ATOM 287 O GLY A 18 2.874 0.755 3.307 1.00 0.26 O +ATOM 288 H GLY A 18 3.268 2.917 7.014 1.00 0.34 H +ATOM 289 HA2 GLY A 18 4.506 1.112 5.208 1.00 0.36 H +ATOM 290 HA3 GLY A 18 3.198 0.670 6.309 1.00 0.35 H +ATOM 291 N VAL A 19 1.342 1.772 4.510 1.00 0.23 N +ATOM 292 CA VAL A 19 0.371 1.725 3.383 1.00 0.22 C +ATOM 293 C VAL A 19 0.989 2.429 2.174 1.00 0.21 C +ATOM 294 O VAL A 19 0.985 1.921 1.069 1.00 0.22 O +ATOM 295 CB VAL A 19 -0.920 2.434 3.794 1.00 0.24 C +ATOM 296 CG1 VAL A 19 -1.923 2.385 2.641 1.00 0.28 C +ATOM 297 CG2 VAL A 19 -1.513 1.726 5.016 1.00 0.28 C +ATOM 298 H VAL A 19 1.092 2.193 5.359 1.00 0.24 H +ATOM 299 HA VAL A 19 0.154 0.699 3.130 1.00 0.24 H +ATOM 300 HB VAL A 19 -0.704 3.462 4.041 1.00 0.25 H +ATOM 301 HG11 VAL A 19 -1.442 1.985 1.761 1.00 1.07 H +ATOM 302 HG12 VAL A 19 -2.756 1.752 2.914 1.00 1.05 H +ATOM 303 HG13 VAL A 19 -2.283 3.383 2.434 1.00 1.05 H +ATOM 304 HG21 VAL A 19 -0.732 1.187 5.532 1.00 1.03 H +ATOM 305 HG22 VAL A 19 -1.945 2.458 5.681 1.00 1.10 H +ATOM 306 HG23 VAL A 19 -2.277 1.034 4.696 1.00 1.03 H +ATOM 307 N MET A 20 1.537 3.595 2.387 1.00 0.22 N +ATOM 308 CA MET A 20 2.178 4.339 1.269 1.00 0.25 C +ATOM 309 C MET A 20 3.276 3.474 0.648 1.00 0.27 C +ATOM 310 O MET A 20 3.375 3.346 -0.557 1.00 0.28 O +ATOM 311 CB MET A 20 2.786 5.636 1.805 1.00 0.29 C +ATOM 312 CG MET A 20 1.665 6.623 2.136 1.00 0.36 C +ATOM 313 SD MET A 20 2.273 8.317 1.947 1.00 1.07 S +ATOM 314 CE MET A 20 0.686 9.081 1.528 1.00 1.70 C +ATOM 315 H MET A 20 1.537 3.975 3.290 1.00 0.22 H +ATOM 316 HA MET A 20 1.437 4.572 0.519 1.00 0.26 H +ATOM 317 HB2 MET A 20 3.355 5.424 2.699 1.00 0.33 H +ATOM 318 HB3 MET A 20 3.435 6.068 1.058 1.00 0.34 H +ATOM 319 HG2 MET A 20 0.835 6.461 1.463 1.00 0.70 H +ATOM 320 HG3 MET A 20 1.337 6.469 3.153 1.00 0.72 H +ATOM 321 HE1 MET A 20 -0.050 8.308 1.356 1.00 2.15 H +ATOM 322 HE2 MET A 20 0.362 9.709 2.341 1.00 2.21 H +ATOM 323 HE3 MET A 20 0.802 9.681 0.636 1.00 2.23 H +ATOM 324 N ALA A 21 4.108 2.888 1.466 1.00 0.28 N +ATOM 325 CA ALA A 21 5.208 2.038 0.934 1.00 0.32 C +ATOM 326 C ALA A 21 4.623 0.923 0.058 1.00 0.30 C +ATOM 327 O ALA A 21 5.099 0.678 -1.033 1.00 0.30 O +ATOM 328 CB ALA A 21 6.021 1.442 2.092 1.00 0.37 C +ATOM 329 H ALA A 21 4.010 3.011 2.433 1.00 0.29 H +ATOM 330 HA ALA A 21 5.858 2.651 0.327 1.00 0.34 H +ATOM 331 HB1 ALA A 21 5.474 1.551 3.017 1.00 1.10 H +ATOM 332 HB2 ALA A 21 6.213 0.395 1.905 1.00 1.10 H +ATOM 333 HB3 ALA A 21 6.963 1.968 2.173 1.00 1.06 H +ATOM 334 N GLY A 22 3.596 0.243 0.508 1.00 0.28 N +ATOM 335 CA GLY A 22 3.014 -0.836 -0.336 1.00 0.27 C +ATOM 336 C GLY A 22 2.602 -0.239 -1.680 1.00 0.23 C +ATOM 337 O GLY A 22 2.911 -0.768 -2.730 1.00 0.23 O +ATOM 338 H GLY A 22 3.204 0.447 1.382 1.00 0.28 H +ATOM 339 HA2 GLY A 22 3.753 -1.610 -0.492 1.00 0.30 H +ATOM 340 HA3 GLY A 22 2.148 -1.252 0.152 1.00 0.28 H +ATOM 341 N VAL A 23 1.916 0.873 -1.655 1.00 0.21 N +ATOM 342 CA VAL A 23 1.499 1.512 -2.934 1.00 0.19 C +ATOM 343 C VAL A 23 2.740 1.795 -3.787 1.00 0.20 C +ATOM 344 O VAL A 23 2.773 1.503 -4.966 1.00 0.19 O +ATOM 345 CB VAL A 23 0.773 2.826 -2.637 1.00 0.22 C +ATOM 346 CG1 VAL A 23 0.563 3.599 -3.940 1.00 0.28 C +ATOM 347 CG2 VAL A 23 -0.586 2.525 -2.000 1.00 0.27 C +ATOM 348 H VAL A 23 1.684 1.288 -0.797 1.00 0.21 H +ATOM 349 HA VAL A 23 0.837 0.848 -3.470 1.00 0.19 H +ATOM 350 HB VAL A 23 1.368 3.420 -1.958 1.00 0.26 H +ATOM 351 HG11 VAL A 23 0.275 2.913 -4.723 1.00 1.04 H +ATOM 352 HG12 VAL A 23 -0.217 4.334 -3.801 1.00 1.03 H +ATOM 353 HG13 VAL A 23 1.481 4.096 -4.217 1.00 1.04 H +ATOM 354 HG21 VAL A 23 -0.764 1.461 -2.019 1.00 1.09 H +ATOM 355 HG22 VAL A 23 -0.588 2.873 -0.977 1.00 1.03 H +ATOM 356 HG23 VAL A 23 -1.362 3.031 -2.553 1.00 1.03 H +ATOM 357 N ILE A 24 3.760 2.367 -3.200 1.00 0.23 N +ATOM 358 CA ILE A 24 4.996 2.672 -3.975 1.00 0.27 C +ATOM 359 C ILE A 24 5.548 1.392 -4.608 1.00 0.27 C +ATOM 360 O ILE A 24 5.885 1.366 -5.775 1.00 0.28 O +ATOM 361 CB ILE A 24 6.050 3.266 -3.039 1.00 0.33 C +ATOM 362 CG1 ILE A 24 5.504 4.551 -2.407 1.00 0.67 C +ATOM 363 CG2 ILE A 24 7.317 3.589 -3.834 1.00 0.75 C +ATOM 364 CD1 ILE A 24 5.459 5.661 -3.458 1.00 1.20 C +ATOM 365 H ILE A 24 3.711 2.600 -2.249 1.00 0.25 H +ATOM 366 HA ILE A 24 4.764 3.385 -4.752 1.00 0.28 H +ATOM 367 HB ILE A 24 6.285 2.553 -2.263 1.00 0.41 H +ATOM 368 HG12 ILE A 24 4.509 4.370 -2.029 1.00 1.29 H +ATOM 369 HG13 ILE A 24 6.149 4.854 -1.595 1.00 1.22 H +ATOM 370 HG21 ILE A 24 7.077 3.642 -4.886 1.00 1.13 H +ATOM 371 HG22 ILE A 24 7.715 4.537 -3.507 1.00 1.25 H +ATOM 372 HG23 ILE A 24 8.052 2.814 -3.671 1.00 1.43 H +ATOM 373 HD11 ILE A 24 5.255 5.230 -4.428 1.00 1.91 H +ATOM 374 HD12 ILE A 24 4.680 6.365 -3.206 1.00 1.60 H +ATOM 375 HD13 ILE A 24 6.411 6.171 -3.484 1.00 1.67 H +ATOM 376 N GLY A 25 5.648 0.329 -3.855 1.00 0.29 N +ATOM 377 CA GLY A 25 6.184 -0.933 -4.434 1.00 0.33 C +ATOM 378 C GLY A 25 5.336 -1.336 -5.638 1.00 0.30 C +ATOM 379 O GLY A 25 5.849 -1.653 -6.693 1.00 0.33 O +ATOM 380 H GLY A 25 5.376 0.362 -2.915 1.00 0.30 H +ATOM 381 HA2 GLY A 25 7.208 -0.780 -4.746 1.00 0.38 H +ATOM 382 HA3 GLY A 25 6.145 -1.716 -3.692 1.00 0.37 H +ATOM 383 N THR A 26 4.038 -1.314 -5.497 1.00 0.25 N +ATOM 384 CA THR A 26 3.163 -1.685 -6.643 1.00 0.25 C +ATOM 385 C THR A 26 3.479 -0.772 -7.827 1.00 0.26 C +ATOM 386 O THR A 26 3.649 -1.218 -8.945 1.00 0.32 O +ATOM 387 CB THR A 26 1.696 -1.517 -6.246 1.00 0.24 C +ATOM 388 OG1 THR A 26 1.410 -2.351 -5.132 1.00 0.34 O +ATOM 389 CG2 THR A 26 0.802 -1.907 -7.425 1.00 0.31 C +ATOM 390 H THR A 26 3.641 -1.047 -4.641 1.00 0.24 H +ATOM 391 HA THR A 26 3.347 -2.712 -6.920 1.00 0.31 H +ATOM 392 HB THR A 26 1.509 -0.487 -5.982 1.00 0.22 H +ATOM 393 HG1 THR A 26 1.819 -1.962 -4.355 1.00 0.40 H +ATOM 394 HG21 THR A 26 1.315 -1.690 -8.351 1.00 1.10 H +ATOM 395 HG22 THR A 26 0.581 -2.963 -7.376 1.00 0.98 H +ATOM 396 HG23 THR A 26 -0.119 -1.345 -7.384 1.00 1.03 H +ATOM 397 N ILE A 27 3.560 0.509 -7.585 1.00 0.24 N +ATOM 398 CA ILE A 27 3.868 1.463 -8.687 1.00 0.33 C +ATOM 399 C ILE A 27 5.195 1.075 -9.340 1.00 0.39 C +ATOM 400 O ILE A 27 5.308 1.013 -10.549 1.00 0.47 O +ATOM 401 CB ILE A 27 3.970 2.879 -8.118 1.00 0.37 C +ATOM 402 CG1 ILE A 27 2.593 3.325 -7.619 1.00 0.39 C +ATOM 403 CG2 ILE A 27 4.450 3.837 -9.211 1.00 0.47 C +ATOM 404 CD1 ILE A 27 2.659 4.786 -7.171 1.00 0.49 C +ATOM 405 H ILE A 27 3.421 0.843 -6.675 1.00 0.22 H +ATOM 406 HA ILE A 27 3.079 1.428 -9.424 1.00 0.38 H +ATOM 407 HB ILE A 27 4.673 2.888 -7.298 1.00 0.37 H +ATOM 408 HG12 ILE A 27 1.872 3.224 -8.418 1.00 0.46 H +ATOM 409 HG13 ILE A 27 2.295 2.707 -6.786 1.00 0.38 H +ATOM 410 HG21 ILE A 27 4.531 3.303 -10.146 1.00 1.04 H +ATOM 411 HG22 ILE A 27 3.742 4.645 -9.316 1.00 1.19 H +ATOM 412 HG23 ILE A 27 5.416 4.237 -8.940 1.00 1.15 H +ATOM 413 HD11 ILE A 27 3.657 5.012 -6.827 1.00 1.14 H +ATOM 414 HD12 ILE A 27 2.410 5.429 -8.002 1.00 1.07 H +ATOM 415 HD13 ILE A 27 1.956 4.947 -6.367 1.00 1.21 H +ATOM 416 N LEU A 28 6.202 0.811 -8.552 1.00 0.39 N +ATOM 417 CA LEU A 28 7.517 0.428 -9.128 1.00 0.49 C +ATOM 418 C LEU A 28 7.323 -0.806 -10.021 1.00 0.53 C +ATOM 419 O LEU A 28 7.797 -0.855 -11.138 1.00 0.62 O +ATOM 420 CB LEU A 28 8.508 0.153 -7.973 1.00 0.53 C +ATOM 421 CG LEU A 28 9.176 -1.221 -8.117 1.00 0.59 C +ATOM 422 CD1 LEU A 28 10.167 -1.190 -9.282 1.00 0.68 C +ATOM 423 CD2 LEU A 28 9.925 -1.558 -6.825 1.00 0.65 C +ATOM 424 H LEU A 28 6.090 0.864 -7.579 1.00 0.34 H +ATOM 425 HA LEU A 28 7.889 1.243 -9.731 1.00 0.55 H +ATOM 426 HB2 LEU A 28 9.271 0.916 -7.976 1.00 0.60 H +ATOM 427 HB3 LEU A 28 7.975 0.190 -7.035 1.00 0.54 H +ATOM 428 HG LEU A 28 8.421 -1.969 -8.304 1.00 0.61 H +ATOM 429 HD11 LEU A 28 9.660 -0.862 -10.178 1.00 1.18 H +ATOM 430 HD12 LEU A 28 10.972 -0.508 -9.054 1.00 1.37 H +ATOM 431 HD13 LEU A 28 10.567 -2.181 -9.439 1.00 1.06 H +ATOM 432 HD21 LEU A 28 9.859 -0.724 -6.142 1.00 1.31 H +ATOM 433 HD22 LEU A 28 9.482 -2.432 -6.370 1.00 1.06 H +ATOM 434 HD23 LEU A 28 10.962 -1.756 -7.050 1.00 1.25 H +ATOM 435 N LEU A 29 6.620 -1.798 -9.541 1.00 0.49 N +ATOM 436 CA LEU A 29 6.397 -3.013 -10.379 1.00 0.57 C +ATOM 437 C LEU A 29 5.727 -2.596 -11.690 1.00 0.60 C +ATOM 438 O LEU A 29 6.134 -2.995 -12.762 1.00 0.71 O +ATOM 439 CB LEU A 29 5.489 -3.997 -9.633 1.00 0.56 C +ATOM 440 CG LEU A 29 5.469 -5.333 -10.375 1.00 1.24 C +ATOM 441 CD1 LEU A 29 6.764 -6.097 -10.085 1.00 1.76 C +ATOM 442 CD2 LEU A 29 4.272 -6.164 -9.904 1.00 1.92 C +ATOM 443 H LEU A 29 6.236 -1.739 -8.640 1.00 0.44 H +ATOM 444 HA LEU A 29 7.345 -3.487 -10.594 1.00 0.65 H +ATOM 445 HB2 LEU A 29 5.866 -4.145 -8.630 1.00 0.97 H +ATOM 446 HB3 LEU A 29 4.486 -3.598 -9.585 1.00 0.94 H +ATOM 447 HG LEU A 29 5.389 -5.153 -11.437 1.00 1.94 H +ATOM 448 HD11 LEU A 29 7.605 -5.429 -10.191 1.00 2.23 H +ATOM 449 HD12 LEU A 29 6.736 -6.484 -9.077 1.00 2.17 H +ATOM 450 HD13 LEU A 29 6.862 -6.915 -10.783 1.00 2.19 H +ATOM 451 HD21 LEU A 29 3.954 -5.820 -8.931 1.00 2.33 H +ATOM 452 HD22 LEU A 29 3.459 -6.056 -10.607 1.00 2.54 H +ATOM 453 HD23 LEU A 29 4.558 -7.204 -9.842 1.00 2.27 H +ATOM 454 N ILE A 30 4.707 -1.786 -11.608 1.00 0.55 N +ATOM 455 CA ILE A 30 4.013 -1.330 -12.845 1.00 0.65 C +ATOM 456 C ILE A 30 5.015 -0.643 -13.770 1.00 0.75 C +ATOM 457 O ILE A 30 5.057 -0.908 -14.955 1.00 0.87 O +ATOM 458 CB ILE A 30 2.900 -0.348 -12.475 1.00 0.63 C +ATOM 459 CG1 ILE A 30 1.883 -1.049 -11.573 1.00 0.58 C +ATOM 460 CG2 ILE A 30 2.203 0.135 -13.750 1.00 0.75 C +ATOM 461 CD1 ILE A 30 0.968 -0.007 -10.928 1.00 0.66 C +ATOM 462 H ILE A 30 4.401 -1.472 -10.732 1.00 0.47 H +ATOM 463 HA ILE A 30 3.588 -2.181 -13.355 1.00 0.70 H +ATOM 464 HB ILE A 30 3.325 0.498 -11.955 1.00 0.62 H +ATOM 465 HG12 ILE A 30 1.291 -1.734 -12.162 1.00 0.65 H +ATOM 466 HG13 ILE A 30 2.403 -1.595 -10.800 1.00 0.53 H +ATOM 467 HG21 ILE A 30 2.917 0.172 -14.559 1.00 1.21 H +ATOM 468 HG22 ILE A 30 1.405 -0.548 -14.005 1.00 1.08 H +ATOM 469 HG23 ILE A 30 1.794 1.121 -13.584 1.00 1.31 H +ATOM 470 HD11 ILE A 30 1.321 0.984 -11.174 1.00 0.98 H +ATOM 471 HD12 ILE A 30 -0.038 -0.132 -11.300 1.00 1.16 H +ATOM 472 HD13 ILE A 30 0.973 -0.135 -9.856 1.00 1.31 H +ATOM 473 N SER A 31 5.821 0.240 -13.248 1.00 0.73 N +ATOM 474 CA SER A 31 6.804 0.930 -14.123 1.00 0.87 C +ATOM 475 C SER A 31 7.675 -0.119 -14.812 1.00 0.94 C +ATOM 476 O SER A 31 7.877 -0.079 -16.008 1.00 1.07 O +ATOM 477 CB SER A 31 7.686 1.851 -13.279 1.00 0.86 C +ATOM 478 OG SER A 31 6.867 2.796 -12.602 1.00 1.29 O +ATOM 479 H SER A 31 5.776 0.448 -12.292 1.00 0.65 H +ATOM 480 HA SER A 31 6.282 1.512 -14.868 1.00 0.95 H +ATOM 481 HB2 SER A 31 8.229 1.269 -12.553 1.00 1.00 H +ATOM 482 HB3 SER A 31 8.389 2.364 -13.923 1.00 1.28 H +ATOM 483 HG SER A 31 7.241 2.942 -11.731 1.00 1.40 H +ATOM 484 N TYR A 32 8.182 -1.070 -14.076 1.00 0.89 N +ATOM 485 CA TYR A 32 9.018 -2.119 -14.720 1.00 1.00 C +ATOM 486 C TYR A 32 8.202 -2.810 -15.817 1.00 1.05 C +ATOM 487 O TYR A 32 8.661 -2.983 -16.930 1.00 1.18 O +ATOM 488 CB TYR A 32 9.448 -3.149 -13.672 1.00 0.96 C +ATOM 489 CG TYR A 32 10.929 -3.015 -13.415 1.00 1.27 C +ATOM 490 CD1 TYR A 32 11.816 -2.885 -14.490 1.00 1.62 C +ATOM 491 CD2 TYR A 32 11.415 -3.017 -12.102 1.00 2.13 C +ATOM 492 CE1 TYR A 32 13.190 -2.759 -14.252 1.00 1.95 C +ATOM 493 CE2 TYR A 32 12.789 -2.890 -11.865 1.00 2.53 C +ATOM 494 CZ TYR A 32 13.676 -2.761 -12.939 1.00 2.15 C +ATOM 495 OH TYR A 32 15.030 -2.636 -12.705 1.00 2.64 O +ATOM 496 H TYR A 32 8.005 -1.098 -13.112 1.00 0.80 H +ATOM 497 HA TYR A 32 9.894 -1.663 -15.156 1.00 1.09 H +ATOM 498 HB2 TYR A 32 8.905 -2.978 -12.755 1.00 0.96 H +ATOM 499 HB3 TYR A 32 9.236 -4.144 -14.037 1.00 1.00 H +ATOM 500 HD1 TYR A 32 11.441 -2.884 -15.503 1.00 2.19 H +ATOM 501 HD2 TYR A 32 10.730 -3.116 -11.273 1.00 2.77 H +ATOM 502 HE1 TYR A 32 13.875 -2.659 -15.082 1.00 2.53 H +ATOM 503 HE2 TYR A 32 13.164 -2.892 -10.852 1.00 3.38 H +ATOM 504 HH TYR A 32 15.497 -3.052 -13.433 1.00 2.82 H +ATOM 505 N GLY A 33 6.988 -3.199 -15.515 1.00 0.97 N +ATOM 506 CA GLY A 33 6.140 -3.866 -16.542 1.00 1.05 C +ATOM 507 C GLY A 33 5.987 -2.948 -17.754 1.00 1.16 C +ATOM 508 O GLY A 33 6.147 -3.362 -18.885 1.00 1.29 O +ATOM 509 H GLY A 33 6.634 -3.045 -14.616 1.00 0.88 H +ATOM 510 HA2 GLY A 33 6.606 -4.793 -16.846 1.00 1.11 H +ATOM 511 HA3 GLY A 33 5.165 -4.072 -16.126 1.00 0.99 H +ATOM 512 N ILE A 34 5.676 -1.700 -17.523 1.00 1.14 N +ATOM 513 CA ILE A 34 5.510 -0.752 -18.665 1.00 1.29 C +ATOM 514 C ILE A 34 6.801 -0.728 -19.492 1.00 1.41 C +ATOM 515 O ILE A 34 6.775 -0.813 -20.703 1.00 1.55 O +ATOM 516 CB ILE A 34 5.152 0.657 -18.138 1.00 1.28 C +ATOM 517 CG1 ILE A 34 4.083 1.270 -19.047 1.00 1.74 C +ATOM 518 CG2 ILE A 34 6.381 1.575 -18.124 1.00 1.77 C +ATOM 519 CD1 ILE A 34 2.788 0.463 -18.933 1.00 2.19 C +ATOM 520 H ILE A 34 5.549 -1.392 -16.599 1.00 1.05 H +ATOM 521 HA ILE A 34 4.705 -1.107 -19.293 1.00 1.35 H +ATOM 522 HB ILE A 34 4.760 0.576 -17.136 1.00 1.42 H +ATOM 523 HG12 ILE A 34 3.899 2.292 -18.745 1.00 2.09 H +ATOM 524 HG13 ILE A 34 4.427 1.254 -20.069 1.00 2.18 H +ATOM 525 HG21 ILE A 34 7.171 1.113 -17.556 1.00 2.04 H +ATOM 526 HG22 ILE A 34 6.717 1.744 -19.137 1.00 2.31 H +ATOM 527 HG23 ILE A 34 6.118 2.520 -17.671 1.00 2.25 H +ATOM 528 HD11 ILE A 34 2.915 -0.321 -18.200 1.00 2.56 H +ATOM 529 HD12 ILE A 34 1.983 1.114 -18.628 1.00 2.60 H +ATOM 530 HD13 ILE A 34 2.553 0.024 -19.892 1.00 2.54 H +ATOM 531 N ARG A 35 7.931 -0.617 -18.845 1.00 1.37 N +ATOM 532 CA ARG A 35 9.221 -0.590 -19.590 1.00 1.51 C +ATOM 533 C ARG A 35 9.331 -1.851 -20.445 1.00 1.58 C +ATOM 534 O ARG A 35 9.672 -1.800 -21.609 1.00 1.73 O +ATOM 535 CB ARG A 35 10.387 -0.536 -18.599 1.00 1.46 C +ATOM 536 CG ARG A 35 10.330 0.776 -17.813 1.00 1.73 C +ATOM 537 CD ARG A 35 11.743 1.343 -17.655 1.00 2.03 C +ATOM 538 NE ARG A 35 12.602 0.349 -16.948 1.00 2.00 N +ATOM 539 CZ ARG A 35 13.900 0.488 -16.955 1.00 2.45 C +ATOM 540 NH1 ARG A 35 14.465 1.375 -16.182 1.00 2.76 N +ATOM 541 NH2 ARG A 35 14.634 -0.261 -17.733 1.00 3.14 N +ATOM 542 H ARG A 35 7.930 -0.556 -17.867 1.00 1.27 H +ATOM 543 HA ARG A 35 9.250 0.281 -20.229 1.00 1.61 H +ATOM 544 HB2 ARG A 35 10.316 -1.370 -17.915 1.00 1.77 H +ATOM 545 HB3 ARG A 35 11.321 -0.591 -19.138 1.00 1.58 H +ATOM 546 HG2 ARG A 35 9.715 1.487 -18.346 1.00 2.15 H +ATOM 547 HG3 ARG A 35 9.907 0.593 -16.837 1.00 2.19 H +ATOM 548 HD2 ARG A 35 12.160 1.549 -18.628 1.00 2.45 H +ATOM 549 HD3 ARG A 35 11.701 2.257 -17.081 1.00 2.48 H +ATOM 550 HE ARG A 35 12.192 -0.407 -16.479 1.00 2.02 H +ATOM 551 HH11 ARG A 35 13.904 1.948 -15.585 1.00 2.90 H +ATOM 552 HH12 ARG A 35 15.459 1.481 -16.185 1.00 3.21 H +ATOM 553 HH21 ARG A 35 14.201 -0.940 -18.325 1.00 3.41 H +ATOM 554 HH22 ARG A 35 15.628 -0.153 -17.738 1.00 3.66 H +ATOM 555 N ARG A 36 9.045 -2.987 -19.885 1.00 1.50 N +ATOM 556 CA ARG A 36 9.132 -4.234 -20.687 1.00 1.59 C +ATOM 557 C ARG A 36 8.225 -4.109 -21.912 1.00 1.69 C +ATOM 558 O ARG A 36 8.616 -4.419 -23.020 1.00 1.84 O +ATOM 559 CB ARG A 36 8.697 -5.430 -19.837 1.00 1.50 C +ATOM 560 CG ARG A 36 9.058 -6.730 -20.558 1.00 1.77 C +ATOM 561 CD ARG A 36 7.788 -7.368 -21.126 1.00 2.23 C +ATOM 562 NE ARG A 36 6.979 -7.951 -20.017 1.00 2.70 N +ATOM 563 CZ ARG A 36 7.570 -8.517 -18.999 1.00 3.07 C +ATOM 564 NH1 ARG A 36 8.507 -9.404 -19.198 1.00 3.56 N +ATOM 565 NH2 ARG A 36 7.223 -8.196 -17.783 1.00 3.58 N +ATOM 566 H ARG A 36 8.770 -3.021 -18.946 1.00 1.38 H +ATOM 567 HA ARG A 36 10.150 -4.370 -21.014 1.00 1.68 H +ATOM 568 HB2 ARG A 36 9.201 -5.395 -18.881 1.00 1.51 H +ATOM 569 HB3 ARG A 36 7.629 -5.391 -19.682 1.00 1.60 H +ATOM 570 HG2 ARG A 36 9.746 -6.515 -21.364 1.00 2.13 H +ATOM 571 HG3 ARG A 36 9.520 -7.413 -19.861 1.00 1.96 H +ATOM 572 HD2 ARG A 36 7.206 -6.617 -21.637 1.00 2.56 H +ATOM 573 HD3 ARG A 36 8.059 -8.148 -21.823 1.00 2.57 H +ATOM 574 HE ARG A 36 6.000 -7.911 -20.053 1.00 3.18 H +ATOM 575 HH11 ARG A 36 8.773 -9.650 -20.131 1.00 3.68 H +ATOM 576 HH12 ARG A 36 8.959 -9.837 -18.419 1.00 4.16 H +ATOM 577 HH21 ARG A 36 6.506 -7.516 -17.631 1.00 3.74 H +ATOM 578 HH22 ARG A 36 7.675 -8.628 -17.003 1.00 4.16 H +ATOM 579 N LEU A 37 7.014 -3.661 -21.723 1.00 1.64 N +ATOM 580 CA LEU A 37 6.083 -3.519 -22.878 1.00 1.75 C +ATOM 581 C LEU A 37 6.714 -2.611 -23.938 1.00 1.91 C +ATOM 582 O LEU A 37 6.719 -2.925 -25.112 1.00 2.05 O +ATOM 583 CB LEU A 37 4.766 -2.901 -22.401 1.00 1.69 C +ATOM 584 CG LEU A 37 3.621 -3.883 -22.651 1.00 2.11 C +ATOM 585 CD1 LEU A 37 2.459 -3.564 -21.708 1.00 2.66 C +ATOM 586 CD2 LEU A 37 3.149 -3.756 -24.101 1.00 2.38 C +ATOM 587 H LEU A 37 6.716 -3.417 -20.821 1.00 1.52 H +ATOM 588 HA LEU A 37 5.889 -4.491 -23.306 1.00 1.80 H +ATOM 589 HB2 LEU A 37 4.833 -2.685 -21.344 1.00 1.91 H +ATOM 590 HB3 LEU A 37 4.580 -1.987 -22.944 1.00 1.94 H +ATOM 591 HG LEU A 37 3.965 -4.891 -22.468 1.00 2.63 H +ATOM 592 HD11 LEU A 37 2.557 -2.551 -21.346 1.00 2.82 H +ATOM 593 HD12 LEU A 37 1.525 -3.666 -22.241 1.00 3.15 H +ATOM 594 HD13 LEU A 37 2.474 -4.248 -20.873 1.00 3.10 H +ATOM 595 HD21 LEU A 37 3.385 -2.769 -24.471 1.00 2.77 H +ATOM 596 HD22 LEU A 37 3.647 -4.497 -24.707 1.00 2.87 H +ATOM 597 HD23 LEU A 37 2.081 -3.911 -24.147 1.00 2.45 H +ATOM 598 N ILE A 38 7.251 -1.491 -23.536 1.00 1.90 N +ATOM 599 CA ILE A 38 7.881 -0.574 -24.525 1.00 2.06 C +ATOM 600 C ILE A 38 9.312 -1.054 -24.814 1.00 2.14 C +ATOM 601 O ILE A 38 9.510 -2.108 -25.383 1.00 2.20 O +ATOM 602 CB ILE A 38 7.898 0.850 -23.959 1.00 2.05 C +ATOM 603 CG1 ILE A 38 8.358 0.814 -22.500 1.00 1.98 C +ATOM 604 CG2 ILE A 38 6.492 1.448 -24.031 1.00 2.03 C +ATOM 605 CD1 ILE A 38 9.159 2.078 -22.185 1.00 2.00 C +ATOM 606 H ILE A 38 7.241 -1.255 -22.585 1.00 1.79 H +ATOM 607 HA ILE A 38 7.309 -0.590 -25.441 1.00 2.15 H +ATOM 608 HB ILE A 38 8.578 1.458 -24.538 1.00 2.14 H +ATOM 609 HG12 ILE A 38 7.496 0.763 -21.853 1.00 2.00 H +ATOM 610 HG13 ILE A 38 8.980 -0.053 -22.340 1.00 2.02 H +ATOM 611 HG21 ILE A 38 6.040 1.194 -24.978 1.00 2.39 H +ATOM 612 HG22 ILE A 38 5.890 1.051 -23.227 1.00 2.15 H +ATOM 613 HG23 ILE A 38 6.553 2.522 -23.938 1.00 2.23 H +ATOM 614 HD11 ILE A 38 9.566 2.483 -23.100 1.00 2.36 H +ATOM 615 HD12 ILE A 38 8.511 2.809 -21.723 1.00 2.19 H +ATOM 616 HD13 ILE A 38 9.966 1.835 -21.509 1.00 2.20 H +ATOM 617 N LYS A 39 10.312 -0.303 -24.427 1.00 2.35 N +ATOM 618 CA LYS A 39 11.712 -0.743 -24.686 1.00 2.45 C +ATOM 619 C LYS A 39 11.846 -1.196 -26.141 1.00 2.85 C +ATOM 620 O LYS A 39 10.926 -1.082 -26.925 1.00 3.21 O +ATOM 621 CB LYS A 39 12.059 -1.904 -23.752 1.00 2.30 C +ATOM 622 CG LYS A 39 13.384 -1.613 -23.044 1.00 2.60 C +ATOM 623 CD LYS A 39 13.107 -0.947 -21.695 1.00 2.94 C +ATOM 624 CE LYS A 39 13.830 0.399 -21.633 1.00 3.56 C +ATOM 625 NZ LYS A 39 15.123 0.233 -20.911 1.00 3.91 N +ATOM 626 H LYS A 39 10.146 0.542 -23.964 1.00 2.55 H +ATOM 627 HA LYS A 39 12.386 0.081 -24.502 1.00 2.58 H +ATOM 628 HB2 LYS A 39 11.275 -2.020 -23.017 1.00 2.10 H +ATOM 629 HB3 LYS A 39 12.152 -2.813 -24.327 1.00 2.50 H +ATOM 630 HG2 LYS A 39 13.918 -2.539 -22.887 1.00 2.77 H +ATOM 631 HG3 LYS A 39 13.980 -0.952 -23.654 1.00 3.02 H +ATOM 632 HD2 LYS A 39 12.042 -0.791 -21.583 1.00 3.26 H +ATOM 633 HD3 LYS A 39 13.464 -1.583 -20.900 1.00 3.12 H +ATOM 634 HE2 LYS A 39 14.020 0.753 -22.635 1.00 3.96 H +ATOM 635 HE3 LYS A 39 13.214 1.114 -21.109 1.00 3.92 H +ATOM 636 HZ1 LYS A 39 15.127 -0.677 -20.410 1.00 4.13 H +ATOM 637 HZ2 LYS A 39 15.907 0.253 -21.594 1.00 4.14 H +ATOM 638 HZ3 LYS A 39 15.239 1.008 -20.226 1.00 4.20 H +ATOM 639 N LYS A 40 12.988 -1.712 -26.508 1.00 3.09 N +ATOM 640 CA LYS A 40 13.180 -2.173 -27.913 1.00 3.63 C +ATOM 641 C LYS A 40 13.147 -0.967 -28.855 1.00 4.10 C +ATOM 642 O LYS A 40 13.338 -1.164 -30.044 1.00 4.56 O +ATOM 643 CB LYS A 40 12.060 -3.143 -28.288 1.00 3.99 C +ATOM 644 CG LYS A 40 12.513 -4.017 -29.460 1.00 4.58 C +ATOM 645 CD LYS A 40 11.354 -4.193 -30.443 1.00 5.25 C +ATOM 646 CE LYS A 40 11.904 -4.596 -31.812 1.00 6.09 C +ATOM 647 NZ LYS A 40 12.682 -5.861 -31.680 1.00 6.53 N +ATOM 648 OXT LYS A 40 12.929 0.132 -28.372 1.00 4.44 O +ATOM 649 H LYS A 40 13.719 -1.795 -25.860 1.00 3.09 H +ATOM 650 HA LYS A 40 14.134 -2.672 -28.002 1.00 3.93 H +ATOM 651 HB2 LYS A 40 11.829 -3.770 -27.438 1.00 4.02 H +ATOM 652 HB3 LYS A 40 11.182 -2.586 -28.575 1.00 4.35 H +ATOM 653 HG2 LYS A 40 13.343 -3.542 -29.961 1.00 5.09 H +ATOM 654 HG3 LYS A 40 12.820 -4.984 -29.090 1.00 4.47 H +ATOM 655 HD2 LYS A 40 10.689 -4.962 -30.080 1.00 5.25 H +ATOM 656 HD3 LYS A 40 10.815 -3.263 -30.534 1.00 5.52 H +ATOM 657 HE2 LYS A 40 11.085 -4.746 -32.500 1.00 6.55 H +ATOM 658 HE3 LYS A 40 12.549 -3.814 -32.186 1.00 6.28 H +ATOM 659 HZ1 LYS A 40 13.158 -5.879 -30.755 1.00 6.71 H +ATOM 660 HZ2 LYS A 40 12.038 -6.673 -31.756 1.00 6.79 H +ATOM 661 HZ3 LYS A 40 13.392 -5.912 -32.438 1.00 6.75 H +ATOM 662 N VAL A 41 -9.556 1.761 2.979 1.00 19.64 N +ATOM 663 CA VAL A 41 -8.757 2.687 3.831 1.00 19.45 C +ATOM 664 C VAL A 41 -9.562 3.056 5.079 1.00 18.79 C +ATOM 665 O VAL A 41 -9.844 4.211 5.328 1.00 19.02 O +ATOM 666 CB VAL A 41 -8.433 3.956 3.040 1.00 19.77 C +ATOM 667 CG1 VAL A 41 -9.726 4.722 2.754 1.00 20.22 C +ATOM 668 CG2 VAL A 41 -7.490 4.839 3.859 1.00 19.99 C +ATOM 669 H1 VAL A 41 -10.475 1.580 3.430 1.00 19.83 H +ATOM 670 H2 VAL A 41 -9.706 2.196 2.045 1.00 19.55 H +ATOM 671 H3 VAL A 41 -9.044 0.864 2.866 1.00 19.78 H +ATOM 672 HA VAL A 41 -7.838 2.202 4.125 1.00 19.68 H +ATOM 673 HB VAL A 41 -7.961 3.688 2.106 1.00 19.65 H +ATOM 674 HG11 VAL A 41 -10.572 4.067 2.898 1.00 20.58 H +ATOM 675 HG12 VAL A 41 -9.803 5.562 3.430 1.00 20.10 H +ATOM 676 HG13 VAL A 41 -9.716 5.079 1.736 1.00 20.40 H +ATOM 677 HG21 VAL A 41 -6.684 4.237 4.253 1.00 20.15 H +ATOM 678 HG22 VAL A 41 -7.083 5.615 3.227 1.00 19.89 H +ATOM 679 HG23 VAL A 41 -8.035 5.289 4.676 1.00 20.21 H +ATOM 680 N GLN A 42 -9.935 2.083 5.867 1.00 18.10 N +ATOM 681 CA GLN A 42 -10.721 2.382 7.098 1.00 17.56 C +ATOM 682 C GLN A 42 -9.862 3.206 8.060 1.00 16.86 C +ATOM 683 O GLN A 42 -8.662 3.035 8.136 1.00 16.59 O +ATOM 684 CB GLN A 42 -11.134 1.072 7.776 1.00 17.30 C +ATOM 685 CG GLN A 42 -12.210 0.370 6.942 1.00 17.01 C +ATOM 686 CD GLN A 42 -13.301 1.373 6.561 1.00 16.75 C +ATOM 687 OE1 GLN A 42 -13.464 1.699 5.402 1.00 17.03 O +ATOM 688 NE2 GLN A 42 -14.060 1.879 7.494 1.00 16.36 N +ATOM 689 H GLN A 42 -9.698 1.158 5.649 1.00 18.01 H +ATOM 690 HA GLN A 42 -11.603 2.946 6.833 1.00 18.00 H +ATOM 691 HB2 GLN A 42 -10.271 0.427 7.866 1.00 17.10 H +ATOM 692 HB3 GLN A 42 -11.526 1.286 8.759 1.00 17.65 H +ATOM 693 HG2 GLN A 42 -11.764 -0.037 6.046 1.00 17.14 H +ATOM 694 HG3 GLN A 42 -12.647 -0.430 7.522 1.00 17.03 H +ATOM 695 HE21 GLN A 42 -13.929 1.616 8.430 1.00 16.23 H +ATOM 696 HE22 GLN A 42 -14.761 2.522 7.260 1.00 16.27 H +ATOM 697 N LEU A 43 -10.469 4.098 8.796 1.00 16.69 N +ATOM 698 CA LEU A 43 -9.684 4.931 9.750 1.00 16.15 C +ATOM 699 C LEU A 43 -10.445 5.052 11.072 1.00 15.61 C +ATOM 700 O LEU A 43 -10.058 5.790 11.957 1.00 15.57 O +ATOM 701 CB LEU A 43 -9.476 6.326 9.157 1.00 16.73 C +ATOM 702 CG LEU A 43 -8.056 6.803 9.461 1.00 16.88 C +ATOM 703 CD1 LEU A 43 -7.046 5.828 8.853 1.00 17.47 C +ATOM 704 CD2 LEU A 43 -7.847 8.194 8.856 1.00 17.27 C +ATOM 705 H LEU A 43 -11.437 4.222 8.719 1.00 17.00 H +ATOM 706 HA LEU A 43 -8.725 4.469 9.928 1.00 15.90 H +ATOM 707 HB2 LEU A 43 -9.623 6.286 8.086 1.00 17.22 H +ATOM 708 HB3 LEU A 43 -10.186 7.011 9.593 1.00 16.67 H +ATOM 709 HG LEU A 43 -7.914 6.850 10.531 1.00 16.46 H +ATOM 710 HD11 LEU A 43 -7.524 5.256 8.071 1.00 17.89 H +ATOM 711 HD12 LEU A 43 -6.216 6.381 8.439 1.00 17.56 H +ATOM 712 HD13 LEU A 43 -6.685 5.159 9.621 1.00 17.50 H +ATOM 713 HD21 LEU A 43 -8.800 8.694 8.766 1.00 17.31 H +ATOM 714 HD22 LEU A 43 -7.196 8.771 9.497 1.00 17.40 H +ATOM 715 HD23 LEU A 43 -7.398 8.098 7.879 1.00 17.53 H +ATOM 716 N ALA A 44 -11.527 4.337 11.216 1.00 15.34 N +ATOM 717 CA ALA A 44 -12.308 4.416 12.482 1.00 14.99 C +ATOM 718 C ALA A 44 -11.642 3.545 13.550 1.00 14.10 C +ATOM 719 O ALA A 44 -11.954 3.635 14.721 1.00 13.96 O +ATOM 720 CB ALA A 44 -13.735 3.922 12.236 1.00 15.58 C +ATOM 721 H ALA A 44 -11.827 3.748 10.492 1.00 15.48 H +ATOM 722 HA ALA A 44 -12.336 5.442 12.821 1.00 15.10 H +ATOM 723 HB1 ALA A 44 -13.733 3.211 11.423 1.00 15.78 H +ATOM 724 HB2 ALA A 44 -14.110 3.446 13.130 1.00 15.78 H +ATOM 725 HB3 ALA A 44 -14.367 4.760 11.980 1.00 15.73 H +ATOM 726 N HIS A 45 -10.727 2.702 13.153 1.00 13.65 N +ATOM 727 CA HIS A 45 -10.036 1.822 14.142 1.00 12.91 C +ATOM 728 C HIS A 45 -10.950 0.654 14.518 1.00 12.30 C +ATOM 729 O HIS A 45 -11.987 0.834 15.124 1.00 12.38 O +ATOM 730 CB HIS A 45 -9.698 2.629 15.397 1.00 12.96 C +ATOM 731 CG HIS A 45 -8.322 2.256 15.881 1.00 13.34 C +ATOM 732 ND1 HIS A 45 -7.174 2.830 15.357 1.00 13.54 N +ATOM 733 CD2 HIS A 45 -7.895 1.371 16.839 1.00 13.74 C +ATOM 734 CE1 HIS A 45 -6.122 2.289 15.999 1.00 14.03 C +ATOM 735 NE2 HIS A 45 -6.505 1.393 16.911 1.00 14.18 N +ATOM 736 H HIS A 45 -10.492 2.647 12.204 1.00 13.88 H +ATOM 737 HA HIS A 45 -9.125 1.439 13.705 1.00 12.98 H +ATOM 738 HB2 HIS A 45 -9.724 3.684 15.165 1.00 13.11 H +ATOM 739 HB3 HIS A 45 -10.420 2.412 16.169 1.00 12.79 H +ATOM 740 HD1 HIS A 45 -7.135 3.507 14.650 1.00 13.46 H +ATOM 741 HD2 HIS A 45 -8.540 0.752 17.445 1.00 13.85 H +ATOM 742 HE1 HIS A 45 -5.092 2.550 15.801 1.00 14.39 H +ATOM 743 N HIS A 46 -10.570 -0.545 14.165 1.00 11.87 N +ATOM 744 CA HIS A 46 -11.415 -1.725 14.503 1.00 11.46 C +ATOM 745 C HIS A 46 -10.910 -2.949 13.737 1.00 10.55 C +ATOM 746 O HIS A 46 -11.682 -3.766 13.277 1.00 10.53 O +ATOM 747 CB HIS A 46 -12.867 -1.445 14.115 1.00 11.84 C +ATOM 748 CG HIS A 46 -13.682 -1.211 15.357 1.00 12.35 C +ATOM 749 ND1 HIS A 46 -14.413 -0.051 15.554 1.00 12.68 N +ATOM 750 CD2 HIS A 46 -13.889 -1.980 16.476 1.00 12.80 C +ATOM 751 CE1 HIS A 46 -15.022 -0.152 16.749 1.00 13.29 C +ATOM 752 NE2 HIS A 46 -14.735 -1.309 17.354 1.00 13.39 N +ATOM 753 H HIS A 46 -9.729 -0.668 13.678 1.00 11.95 H +ATOM 754 HA HIS A 46 -11.356 -1.917 15.565 1.00 11.76 H +ATOM 755 HB2 HIS A 46 -12.908 -0.568 13.486 1.00 11.94 H +ATOM 756 HB3 HIS A 46 -13.266 -2.293 13.578 1.00 11.86 H +ATOM 757 HD1 HIS A 46 -14.478 0.705 14.933 1.00 12.63 H +ATOM 758 HD2 HIS A 46 -13.460 -2.955 16.649 1.00 12.83 H +ATOM 759 HE1 HIS A 46 -15.662 0.609 17.169 1.00 13.77 H +ATOM 760 N PHE A 47 -9.619 -3.081 13.594 1.00 10.00 N +ATOM 761 CA PHE A 47 -9.068 -4.252 12.856 1.00 9.29 C +ATOM 762 C PHE A 47 -7.788 -4.732 13.542 1.00 8.27 C +ATOM 763 O PHE A 47 -7.818 -5.593 14.400 1.00 8.29 O +ATOM 764 CB PHE A 47 -8.753 -3.843 11.416 1.00 9.52 C +ATOM 765 CG PHE A 47 -9.856 -4.323 10.503 1.00 10.43 C +ATOM 766 CD1 PHE A 47 -11.116 -3.715 10.546 1.00 10.86 C +ATOM 767 CD2 PHE A 47 -9.616 -5.376 9.613 1.00 11.07 C +ATOM 768 CE1 PHE A 47 -12.138 -4.160 9.699 1.00 11.86 C +ATOM 769 CE2 PHE A 47 -10.638 -5.822 8.765 1.00 12.06 C +ATOM 770 CZ PHE A 47 -11.898 -5.214 8.807 1.00 12.43 C +ATOM 771 H PHE A 47 -9.013 -2.410 13.972 1.00 10.20 H +ATOM 772 HA PHE A 47 -9.796 -5.050 12.852 1.00 9.58 H +ATOM 773 HB2 PHE A 47 -8.680 -2.766 11.356 1.00 9.36 H +ATOM 774 HB3 PHE A 47 -7.817 -4.285 11.112 1.00 9.45 H +ATOM 775 HD1 PHE A 47 -11.301 -2.902 11.232 1.00 10.55 H +ATOM 776 HD2 PHE A 47 -8.645 -5.846 9.580 1.00 10.94 H +ATOM 777 HE1 PHE A 47 -13.110 -3.692 9.731 1.00 12.32 H +ATOM 778 HE2 PHE A 47 -10.453 -6.634 8.077 1.00 12.65 H +ATOM 779 HZ PHE A 47 -12.687 -5.558 8.153 1.00 13.28 H +ATOM 780 N SER A 48 -6.663 -4.183 13.173 1.00 7.61 N +ATOM 781 CA SER A 48 -5.384 -4.610 13.806 1.00 6.80 C +ATOM 782 C SER A 48 -5.133 -3.774 15.062 1.00 5.60 C +ATOM 783 O SER A 48 -4.778 -2.614 14.987 1.00 5.39 O +ATOM 784 CB SER A 48 -4.235 -4.407 12.817 1.00 7.36 C +ATOM 785 OG SER A 48 -4.383 -5.315 11.733 1.00 8.12 O +ATOM 786 H SER A 48 -6.660 -3.492 12.479 1.00 7.83 H +ATOM 787 HA SER A 48 -5.446 -5.654 14.075 1.00 6.96 H +ATOM 788 HB2 SER A 48 -4.258 -3.399 12.441 1.00 7.45 H +ATOM 789 HB3 SER A 48 -3.293 -4.580 13.321 1.00 7.39 H +ATOM 790 HG SER A 48 -4.490 -6.197 12.098 1.00 8.23 H +ATOM 791 N GLU A 49 -5.314 -4.354 16.217 1.00 5.12 N +ATOM 792 CA GLU A 49 -5.088 -3.594 17.478 1.00 4.22 C +ATOM 793 C GLU A 49 -3.595 -3.284 17.641 1.00 3.04 C +ATOM 794 O GLU A 49 -3.221 -2.140 17.803 1.00 3.18 O +ATOM 795 CB GLU A 49 -5.573 -4.425 18.668 1.00 4.88 C +ATOM 796 CG GLU A 49 -6.895 -3.852 19.184 1.00 5.77 C +ATOM 797 CD GLU A 49 -8.064 -4.586 18.523 1.00 6.71 C +ATOM 798 OE1 GLU A 49 -8.099 -5.802 18.613 1.00 7.29 O +ATOM 799 OE2 GLU A 49 -8.902 -3.920 17.939 1.00 7.09 O +ATOM 800 H GLU A 49 -5.601 -5.290 16.254 1.00 5.60 H +ATOM 801 HA GLU A 49 -5.641 -2.668 17.439 1.00 4.31 H +ATOM 802 HB2 GLU A 49 -5.720 -5.449 18.357 1.00 5.35 H +ATOM 803 HB3 GLU A 49 -4.836 -4.389 19.456 1.00 4.66 H +ATOM 804 HG2 GLU A 49 -6.949 -3.979 20.256 1.00 5.92 H +ATOM 805 HG3 GLU A 49 -6.952 -2.800 18.943 1.00 5.90 H +ATOM 806 N PRO A 50 -2.783 -4.313 17.599 1.00 2.28 N +ATOM 807 CA PRO A 50 -1.323 -4.162 17.748 1.00 1.48 C +ATOM 808 C PRO A 50 -0.760 -3.261 16.643 1.00 1.33 C +ATOM 809 O PRO A 50 -1.346 -3.116 15.586 1.00 1.29 O +ATOM 810 CB PRO A 50 -0.764 -5.586 17.621 1.00 2.00 C +ATOM 811 CG PRO A 50 -1.965 -6.548 17.434 1.00 2.71 C +ATOM 812 CD PRO A 50 -3.246 -5.699 17.403 1.00 2.87 C +ATOM 813 HA PRO A 50 -1.083 -3.761 18.719 1.00 1.64 H +ATOM 814 HB2 PRO A 50 -0.106 -5.646 16.764 1.00 2.42 H +ATOM 815 HB3 PRO A 50 -0.226 -5.851 18.518 1.00 2.16 H +ATOM 816 HG2 PRO A 50 -1.859 -7.089 16.504 1.00 3.49 H +ATOM 817 HG3 PRO A 50 -2.010 -7.242 18.259 1.00 2.78 H +ATOM 818 HD2 PRO A 50 -3.736 -5.806 16.447 1.00 3.66 H +ATOM 819 HD3 PRO A 50 -3.908 -5.988 18.204 1.00 3.03 H +ATOM 820 N GLU A 51 0.373 -2.658 16.879 1.00 1.30 N +ATOM 821 CA GLU A 51 0.975 -1.767 15.848 1.00 1.19 C +ATOM 822 C GLU A 51 1.393 -2.592 14.630 1.00 1.06 C +ATOM 823 O GLU A 51 0.764 -2.542 13.592 1.00 1.01 O +ATOM 824 CB GLU A 51 2.206 -1.070 16.431 1.00 1.29 C +ATOM 825 CG GLU A 51 1.789 -0.203 17.619 1.00 1.90 C +ATOM 826 CD GLU A 51 2.683 -0.519 18.818 1.00 2.25 C +ATOM 827 OE1 GLU A 51 2.686 -1.662 19.244 1.00 2.89 O +ATOM 828 OE2 GLU A 51 3.350 0.387 19.291 1.00 2.52 O +ATOM 829 H GLU A 51 0.827 -2.791 17.737 1.00 1.39 H +ATOM 830 HA GLU A 51 0.252 -1.024 15.547 1.00 1.17 H +ATOM 831 HB2 GLU A 51 2.917 -1.814 16.760 1.00 1.78 H +ATOM 832 HB3 GLU A 51 2.660 -0.448 15.674 1.00 1.39 H +ATOM 833 HG2 GLU A 51 1.893 0.841 17.355 1.00 2.21 H +ATOM 834 HG3 GLU A 51 0.761 -0.409 17.874 1.00 2.64 H +ATOM 835 N ILE A 52 2.456 -3.346 14.747 1.00 1.07 N +ATOM 836 CA ILE A 52 2.929 -4.170 13.602 1.00 0.98 C +ATOM 837 C ILE A 52 1.736 -4.780 12.861 1.00 0.89 C +ATOM 838 O ILE A 52 1.701 -4.817 11.647 1.00 0.82 O +ATOM 839 CB ILE A 52 3.841 -5.282 14.128 1.00 1.09 C +ATOM 840 CG1 ILE A 52 4.696 -5.806 12.981 1.00 1.29 C +ATOM 841 CG2 ILE A 52 3.002 -6.426 14.707 1.00 1.27 C +ATOM 842 CD1 ILE A 52 6.170 -5.541 13.287 1.00 2.11 C +ATOM 843 H ILE A 52 2.949 -3.364 15.591 1.00 1.17 H +ATOM 844 HA ILE A 52 3.489 -3.545 12.922 1.00 0.94 H +ATOM 845 HB ILE A 52 4.484 -4.886 14.901 1.00 1.22 H +ATOM 846 HG12 ILE A 52 4.533 -6.867 12.866 1.00 1.49 H +ATOM 847 HG13 ILE A 52 4.420 -5.295 12.071 1.00 1.36 H +ATOM 848 HG21 ILE A 52 2.268 -6.025 15.388 1.00 1.79 H +ATOM 849 HG22 ILE A 52 2.502 -6.947 13.903 1.00 1.73 H +ATOM 850 HG23 ILE A 52 3.646 -7.114 15.234 1.00 1.50 H +ATOM 851 HD11 ILE A 52 6.254 -4.654 13.897 1.00 2.58 H +ATOM 852 HD12 ILE A 52 6.584 -6.385 13.818 1.00 2.56 H +ATOM 853 HD13 ILE A 52 6.709 -5.395 12.363 1.00 2.50 H +ATOM 854 N THR A 53 0.758 -5.255 13.581 1.00 0.92 N +ATOM 855 CA THR A 53 -0.431 -5.857 12.915 1.00 0.87 C +ATOM 856 C THR A 53 -1.121 -4.799 12.050 1.00 0.77 C +ATOM 857 O THR A 53 -1.476 -5.047 10.914 1.00 0.69 O +ATOM 858 CB THR A 53 -1.408 -6.385 13.972 1.00 0.99 C +ATOM 859 OG1 THR A 53 -1.442 -5.496 15.082 1.00 1.57 O +ATOM 860 CG2 THR A 53 -0.954 -7.768 14.440 1.00 1.43 C +ATOM 861 H THR A 53 0.804 -5.213 14.558 1.00 1.01 H +ATOM 862 HA THR A 53 -0.109 -6.675 12.287 1.00 0.85 H +ATOM 863 HB THR A 53 -2.394 -6.462 13.543 1.00 1.38 H +ATOM 864 HG1 THR A 53 -0.975 -4.697 14.839 1.00 1.99 H +ATOM 865 HG21 THR A 53 -0.301 -8.202 13.699 1.00 1.95 H +ATOM 866 HG22 THR A 53 -0.424 -7.675 15.377 1.00 1.96 H +ATOM 867 HG23 THR A 53 -1.816 -8.402 14.577 1.00 1.85 H +ATOM 868 N LEU A 54 -1.329 -3.623 12.576 1.00 0.81 N +ATOM 869 CA LEU A 54 -2.006 -2.571 11.766 1.00 0.74 C +ATOM 870 C LEU A 54 -1.043 -2.026 10.710 1.00 0.62 C +ATOM 871 O LEU A 54 -1.398 -1.894 9.558 1.00 0.52 O +ATOM 872 CB LEU A 54 -2.459 -1.422 12.674 1.00 0.87 C +ATOM 873 CG LEU A 54 -3.787 -0.853 12.165 1.00 1.11 C +ATOM 874 CD1 LEU A 54 -4.040 0.507 12.818 1.00 1.02 C +ATOM 875 CD2 LEU A 54 -3.729 -0.680 10.644 1.00 1.63 C +ATOM 876 H LEU A 54 -1.047 -3.435 13.496 1.00 0.89 H +ATOM 877 HA LEU A 54 -2.866 -2.997 11.271 1.00 0.73 H +ATOM 878 HB2 LEU A 54 -2.591 -1.789 13.681 1.00 1.12 H +ATOM 879 HB3 LEU A 54 -1.712 -0.644 12.669 1.00 1.06 H +ATOM 880 HG LEU A 54 -4.590 -1.529 12.422 1.00 1.49 H +ATOM 881 HD11 LEU A 54 -3.240 0.729 13.508 1.00 1.17 H +ATOM 882 HD12 LEU A 54 -4.079 1.271 12.055 1.00 1.50 H +ATOM 883 HD13 LEU A 54 -4.979 0.481 13.351 1.00 1.52 H +ATOM 884 HD21 LEU A 54 -2.822 -0.159 10.375 1.00 2.19 H +ATOM 885 HD22 LEU A 54 -3.743 -1.650 10.171 1.00 1.88 H +ATOM 886 HD23 LEU A 54 -4.584 -0.106 10.315 1.00 2.07 H +ATOM 887 N ILE A 55 0.167 -1.697 11.078 1.00 0.66 N +ATOM 888 CA ILE A 55 1.107 -1.158 10.055 1.00 0.59 C +ATOM 889 C ILE A 55 1.260 -2.171 8.918 1.00 0.48 C +ATOM 890 O ILE A 55 1.135 -1.833 7.757 1.00 0.39 O +ATOM 891 CB ILE A 55 2.472 -0.900 10.695 1.00 0.70 C +ATOM 892 CG1 ILE A 55 2.311 0.071 11.868 1.00 0.89 C +ATOM 893 CG2 ILE A 55 3.414 -0.291 9.654 1.00 0.73 C +ATOM 894 CD1 ILE A 55 3.576 0.043 12.728 1.00 1.02 C +ATOM 895 H ILE A 55 0.451 -1.799 12.011 1.00 0.76 H +ATOM 896 HA ILE A 55 0.714 -0.232 9.661 1.00 0.57 H +ATOM 897 HB ILE A 55 2.886 -1.832 11.051 1.00 0.70 H +ATOM 898 HG12 ILE A 55 2.154 1.070 11.489 1.00 0.95 H +ATOM 899 HG13 ILE A 55 1.464 -0.227 12.467 1.00 0.95 H +ATOM 900 HG21 ILE A 55 3.450 -0.930 8.784 1.00 1.16 H +ATOM 901 HG22 ILE A 55 3.053 0.686 9.369 1.00 1.26 H +ATOM 902 HG23 ILE A 55 4.404 -0.200 10.075 1.00 1.34 H +ATOM 903 HD11 ILE A 55 4.369 -0.453 12.188 1.00 1.45 H +ATOM 904 HD12 ILE A 55 3.876 1.055 12.960 1.00 1.40 H +ATOM 905 HD13 ILE A 55 3.377 -0.492 13.646 1.00 1.51 H +ATOM 906 N ILE A 56 1.500 -3.417 9.237 1.00 0.51 N +ATOM 907 CA ILE A 56 1.622 -4.438 8.159 1.00 0.45 C +ATOM 908 C ILE A 56 0.327 -4.451 7.349 1.00 0.35 C +ATOM 909 O ILE A 56 0.335 -4.430 6.132 1.00 0.30 O +ATOM 910 CB ILE A 56 1.892 -5.820 8.767 1.00 0.52 C +ATOM 911 CG1 ILE A 56 2.302 -6.791 7.658 1.00 1.19 C +ATOM 912 CG2 ILE A 56 0.637 -6.344 9.462 1.00 1.41 C +ATOM 913 CD1 ILE A 56 3.696 -7.344 7.956 1.00 1.86 C +ATOM 914 H ILE A 56 1.577 -3.680 10.179 1.00 0.59 H +ATOM 915 HA ILE A 56 2.443 -4.168 7.509 1.00 0.46 H +ATOM 916 HB ILE A 56 2.690 -5.741 9.488 1.00 1.05 H +ATOM 917 HG12 ILE A 56 1.592 -7.604 7.612 1.00 1.77 H +ATOM 918 HG13 ILE A 56 2.317 -6.271 6.712 1.00 1.90 H +ATOM 919 HG21 ILE A 56 -0.167 -6.424 8.747 1.00 1.89 H +ATOM 920 HG22 ILE A 56 0.841 -7.317 9.884 1.00 1.87 H +ATOM 921 HG23 ILE A 56 0.356 -5.665 10.249 1.00 2.07 H +ATOM 922 HD11 ILE A 56 4.167 -6.743 8.719 1.00 2.48 H +ATOM 923 HD12 ILE A 56 3.612 -8.364 8.302 1.00 2.31 H +ATOM 924 HD13 ILE A 56 4.294 -7.317 7.057 1.00 2.21 H +ATOM 925 N PHE A 57 -0.790 -4.478 8.027 1.00 0.37 N +ATOM 926 CA PHE A 57 -2.104 -4.486 7.319 1.00 0.34 C +ATOM 927 C PHE A 57 -2.201 -3.262 6.412 1.00 0.29 C +ATOM 928 O PHE A 57 -2.590 -3.358 5.265 1.00 0.27 O +ATOM 929 CB PHE A 57 -3.253 -4.459 8.333 1.00 0.44 C +ATOM 930 CG PHE A 57 -3.822 -5.851 8.480 1.00 1.05 C +ATOM 931 CD1 PHE A 57 -3.094 -6.837 9.156 1.00 1.80 C +ATOM 932 CD2 PHE A 57 -5.078 -6.154 7.939 1.00 1.97 C +ATOM 933 CE1 PHE A 57 -3.621 -8.127 9.290 1.00 2.57 C +ATOM 934 CE2 PHE A 57 -5.604 -7.445 8.075 1.00 2.71 C +ATOM 935 CZ PHE A 57 -4.876 -8.431 8.751 1.00 2.81 C +ATOM 936 H PHE A 57 -0.761 -4.493 9.007 1.00 0.43 H +ATOM 937 HA PHE A 57 -2.178 -5.382 6.718 1.00 0.34 H +ATOM 938 HB2 PHE A 57 -2.889 -4.114 9.290 1.00 0.94 H +ATOM 939 HB3 PHE A 57 -4.026 -3.792 7.982 1.00 0.81 H +ATOM 940 HD1 PHE A 57 -2.125 -6.603 9.572 1.00 2.26 H +ATOM 941 HD2 PHE A 57 -5.639 -5.393 7.418 1.00 2.49 H +ATOM 942 HE1 PHE A 57 -3.059 -8.888 9.812 1.00 3.32 H +ATOM 943 HE2 PHE A 57 -6.573 -7.679 7.657 1.00 3.52 H +ATOM 944 HZ PHE A 57 -5.282 -9.426 8.854 1.00 3.51 H +ATOM 945 N GLY A 58 -1.860 -2.109 6.916 1.00 0.30 N +ATOM 946 CA GLY A 58 -1.944 -0.879 6.079 1.00 0.28 C +ATOM 947 C GLY A 58 -1.104 -1.069 4.816 1.00 0.22 C +ATOM 948 O GLY A 58 -1.550 -0.791 3.722 1.00 0.23 O +ATOM 949 H GLY A 58 -1.556 -2.049 7.847 1.00 0.34 H +ATOM 950 HA2 GLY A 58 -2.975 -0.700 5.804 1.00 0.31 H +ATOM 951 HA3 GLY A 58 -1.567 -0.035 6.637 1.00 0.31 H +ATOM 952 N VAL A 59 0.103 -1.549 4.949 1.00 0.22 N +ATOM 953 CA VAL A 59 0.941 -1.756 3.736 1.00 0.23 C +ATOM 954 C VAL A 59 0.193 -2.684 2.776 1.00 0.22 C +ATOM 955 O VAL A 59 0.058 -2.403 1.600 1.00 0.23 O +ATOM 956 CB VAL A 59 2.272 -2.387 4.143 1.00 0.27 C +ATOM 957 CG1 VAL A 59 3.116 -2.655 2.896 1.00 0.33 C +ATOM 958 CG2 VAL A 59 3.021 -1.426 5.071 1.00 0.30 C +ATOM 959 H VAL A 59 0.451 -1.777 5.837 1.00 0.24 H +ATOM 960 HA VAL A 59 1.124 -0.809 3.253 1.00 0.25 H +ATOM 961 HB VAL A 59 2.086 -3.319 4.659 1.00 0.30 H +ATOM 962 HG11 VAL A 59 2.468 -2.738 2.035 1.00 0.98 H +ATOM 963 HG12 VAL A 59 3.809 -1.839 2.748 1.00 1.10 H +ATOM 964 HG13 VAL A 59 3.665 -3.576 3.024 1.00 1.05 H +ATOM 965 HG21 VAL A 59 2.314 -0.762 5.549 1.00 0.93 H +ATOM 966 HG22 VAL A 59 3.550 -1.991 5.825 1.00 1.14 H +ATOM 967 HG23 VAL A 59 3.726 -0.845 4.496 1.00 1.08 H +ATOM 968 N MET A 60 -0.323 -3.774 3.276 1.00 0.22 N +ATOM 969 CA MET A 60 -1.094 -4.700 2.401 1.00 0.23 C +ATOM 970 C MET A 60 -2.254 -3.926 1.773 1.00 0.24 C +ATOM 971 O MET A 60 -2.497 -3.992 0.583 1.00 0.25 O +ATOM 972 CB MET A 60 -1.641 -5.858 3.238 1.00 0.26 C +ATOM 973 CG MET A 60 -0.478 -6.620 3.877 1.00 0.32 C +ATOM 974 SD MET A 60 -1.054 -8.243 4.436 1.00 1.15 S +ATOM 975 CE MET A 60 -2.280 -7.654 5.630 1.00 1.83 C +ATOM 976 H MET A 60 -0.224 -3.971 4.232 1.00 0.22 H +ATOM 977 HA MET A 60 -0.450 -5.085 1.623 1.00 0.25 H +ATOM 978 HB2 MET A 60 -2.287 -5.468 4.012 1.00 0.29 H +ATOM 979 HB3 MET A 60 -2.203 -6.527 2.604 1.00 0.30 H +ATOM 980 HG2 MET A 60 0.310 -6.750 3.151 1.00 0.69 H +ATOM 981 HG3 MET A 60 -0.103 -6.061 4.721 1.00 0.71 H +ATOM 982 HE1 MET A 60 -2.890 -6.888 5.171 1.00 2.42 H +ATOM 983 HE2 MET A 60 -2.909 -8.473 5.937 1.00 2.17 H +ATOM 984 HE3 MET A 60 -1.773 -7.247 6.495 1.00 2.39 H +ATOM 985 N ALA A 61 -2.967 -3.187 2.580 1.00 0.25 N +ATOM 986 CA ALA A 61 -4.115 -2.391 2.068 1.00 0.27 C +ATOM 987 C ALA A 61 -3.638 -1.441 0.964 1.00 0.26 C +ATOM 988 O ALA A 61 -4.262 -1.329 -0.073 1.00 0.27 O +ATOM 989 CB ALA A 61 -4.761 -1.600 3.215 1.00 0.31 C +ATOM 990 H ALA A 61 -2.741 -3.154 3.532 1.00 0.25 H +ATOM 991 HA ALA A 61 -4.850 -3.067 1.652 1.00 0.29 H +ATOM 992 HB1 ALA A 61 -4.117 -1.623 4.082 1.00 1.02 H +ATOM 993 HB2 ALA A 61 -4.922 -0.576 2.909 1.00 1.10 H +ATOM 994 HB3 ALA A 61 -5.711 -2.049 3.467 1.00 1.06 H +ATOM 995 N GLY A 62 -2.547 -0.744 1.170 1.00 0.25 N +ATOM 996 CA GLY A 62 -2.071 0.195 0.118 1.00 0.26 C +ATOM 997 C GLY A 62 -1.867 -0.571 -1.186 1.00 0.24 C +ATOM 998 O GLY A 62 -2.311 -0.149 -2.235 1.00 0.24 O +ATOM 999 H GLY A 62 -2.048 -0.834 2.007 1.00 0.25 H +ATOM 1000 HA2 GLY A 62 -2.807 0.974 -0.029 1.00 0.29 H +ATOM 1001 HA3 GLY A 62 -1.135 0.635 0.424 1.00 0.27 H +ATOM 1002 N VAL A 63 -1.212 -1.699 -1.139 1.00 0.22 N +ATOM 1003 CA VAL A 63 -1.011 -2.474 -2.397 1.00 0.21 C +ATOM 1004 C VAL A 63 -2.378 -2.781 -3.018 1.00 0.21 C +ATOM 1005 O VAL A 63 -2.596 -2.580 -4.197 1.00 0.21 O +ATOM 1006 CB VAL A 63 -0.285 -3.784 -2.087 1.00 0.23 C +ATOM 1007 CG1 VAL A 63 -0.067 -4.565 -3.383 1.00 0.28 C +ATOM 1008 CG2 VAL A 63 1.070 -3.476 -1.445 1.00 0.31 C +ATOM 1009 H VAL A 63 -0.861 -2.036 -0.285 1.00 0.22 H +ATOM 1010 HA VAL A 63 -0.422 -1.889 -3.090 1.00 0.22 H +ATOM 1011 HB VAL A 63 -0.882 -4.373 -1.408 1.00 0.28 H +ATOM 1012 HG11 VAL A 63 -0.997 -4.624 -3.930 1.00 0.98 H +ATOM 1013 HG12 VAL A 63 0.674 -4.062 -3.988 1.00 1.07 H +ATOM 1014 HG13 VAL A 63 0.277 -5.562 -3.150 1.00 1.13 H +ATOM 1015 HG21 VAL A 63 1.555 -2.681 -1.991 1.00 0.96 H +ATOM 1016 HG22 VAL A 63 0.921 -3.172 -0.420 1.00 1.07 H +ATOM 1017 HG23 VAL A 63 1.690 -4.361 -1.472 1.00 1.14 H +ATOM 1018 N ILE A 64 -3.305 -3.257 -2.227 1.00 0.23 N +ATOM 1019 CA ILE A 64 -4.661 -3.568 -2.763 1.00 0.25 C +ATOM 1020 C ILE A 64 -5.271 -2.314 -3.398 1.00 0.26 C +ATOM 1021 O ILE A 64 -5.803 -2.356 -4.489 1.00 0.26 O +ATOM 1022 CB ILE A 64 -5.560 -4.050 -1.624 1.00 0.30 C +ATOM 1023 CG1 ILE A 64 -5.065 -5.410 -1.127 1.00 0.32 C +ATOM 1024 CG2 ILE A 64 -6.998 -4.185 -2.129 1.00 0.40 C +ATOM 1025 CD1 ILE A 64 -5.534 -5.632 0.312 1.00 1.06 C +ATOM 1026 H ILE A 64 -3.110 -3.409 -1.278 1.00 0.24 H +ATOM 1027 HA ILE A 64 -4.582 -4.345 -3.509 1.00 0.26 H +ATOM 1028 HB ILE A 64 -5.529 -3.335 -0.814 1.00 0.33 H +ATOM 1029 HG12 ILE A 64 -5.463 -6.190 -1.760 1.00 0.77 H +ATOM 1030 HG13 ILE A 64 -3.986 -5.435 -1.159 1.00 0.79 H +ATOM 1031 HG21 ILE A 64 -6.999 -4.697 -3.081 1.00 1.11 H +ATOM 1032 HG22 ILE A 64 -7.579 -4.750 -1.416 1.00 1.08 H +ATOM 1033 HG23 ILE A 64 -7.431 -3.203 -2.249 1.00 1.05 H +ATOM 1034 HD11 ILE A 64 -5.461 -4.704 0.861 1.00 1.59 H +ATOM 1035 HD12 ILE A 64 -6.560 -5.969 0.309 1.00 1.60 H +ATOM 1036 HD13 ILE A 64 -4.911 -6.379 0.781 1.00 1.66 H +ATOM 1037 N GLY A 65 -5.205 -1.198 -2.720 1.00 0.27 N +ATOM 1038 CA GLY A 65 -5.790 0.052 -3.281 1.00 0.30 C +ATOM 1039 C GLY A 65 -5.162 0.350 -4.642 1.00 0.27 C +ATOM 1040 O GLY A 65 -5.849 0.644 -5.600 1.00 0.29 O +ATOM 1041 H GLY A 65 -4.779 -1.184 -1.838 1.00 0.28 H +ATOM 1042 HA2 GLY A 65 -6.857 -0.071 -3.395 1.00 0.33 H +ATOM 1043 HA3 GLY A 65 -5.591 0.874 -2.611 1.00 0.33 H +ATOM 1044 N THR A 66 -3.863 0.275 -4.741 1.00 0.24 N +ATOM 1045 CA THR A 66 -3.207 0.554 -6.048 1.00 0.24 C +ATOM 1046 C THR A 66 -3.780 -0.388 -7.107 1.00 0.24 C +ATOM 1047 O THR A 66 -4.144 0.026 -8.190 1.00 0.28 O +ATOM 1048 CB THR A 66 -1.698 0.331 -5.925 1.00 0.25 C +ATOM 1049 OG1 THR A 66 -1.204 1.052 -4.804 1.00 0.32 O +ATOM 1050 CG2 THR A 66 -1.006 0.823 -7.198 1.00 0.28 C +ATOM 1051 H THR A 66 -3.322 0.034 -3.959 1.00 0.24 H +ATOM 1052 HA THR A 66 -3.399 1.578 -6.336 1.00 0.28 H +ATOM 1053 HB THR A 66 -1.498 -0.721 -5.794 1.00 0.25 H +ATOM 1054 HG1 THR A 66 -1.525 0.620 -4.008 1.00 0.39 H +ATOM 1055 HG21 THR A 66 -1.502 0.405 -8.062 1.00 1.00 H +ATOM 1056 HG22 THR A 66 -1.057 1.901 -7.242 1.00 1.09 H +ATOM 1057 HG23 THR A 66 0.028 0.512 -7.190 1.00 0.99 H +ATOM 1058 N ILE A 67 -3.872 -1.654 -6.801 1.00 0.23 N +ATOM 1059 CA ILE A 67 -4.433 -2.616 -7.791 1.00 0.29 C +ATOM 1060 C ILE A 67 -5.841 -2.165 -8.189 1.00 0.33 C +ATOM 1061 O ILE A 67 -6.184 -2.115 -9.353 1.00 0.40 O +ATOM 1062 CB ILE A 67 -4.498 -4.012 -7.168 1.00 0.33 C +ATOM 1063 CG1 ILE A 67 -3.082 -4.578 -7.039 1.00 0.34 C +ATOM 1064 CG2 ILE A 67 -5.333 -4.932 -8.059 1.00 0.40 C +ATOM 1065 CD1 ILE A 67 -3.101 -5.797 -6.115 1.00 0.41 C +ATOM 1066 H ILE A 67 -3.580 -1.970 -5.920 1.00 0.21 H +ATOM 1067 HA ILE A 67 -3.801 -2.642 -8.667 1.00 0.32 H +ATOM 1068 HB ILE A 67 -4.953 -3.949 -6.190 1.00 0.34 H +ATOM 1069 HG12 ILE A 67 -2.722 -4.870 -8.014 1.00 0.40 H +ATOM 1070 HG13 ILE A 67 -2.429 -3.825 -6.624 1.00 0.34 H +ATOM 1071 HG21 ILE A 67 -5.576 -4.419 -8.978 1.00 1.10 H +ATOM 1072 HG22 ILE A 67 -4.768 -5.824 -8.285 1.00 0.98 H +ATOM 1073 HG23 ILE A 67 -6.244 -5.202 -7.546 1.00 1.06 H +ATOM 1074 HD11 ILE A 67 -3.536 -5.523 -5.165 1.00 1.07 H +ATOM 1075 HD12 ILE A 67 -3.688 -6.582 -6.566 1.00 1.11 H +ATOM 1076 HD13 ILE A 67 -2.090 -6.147 -5.960 1.00 1.14 H +ATOM 1077 N LEU A 68 -6.654 -1.828 -7.225 1.00 0.33 N +ATOM 1078 CA LEU A 68 -8.036 -1.371 -7.533 1.00 0.41 C +ATOM 1079 C LEU A 68 -7.963 -0.162 -8.476 1.00 0.44 C +ATOM 1080 O LEU A 68 -8.666 -0.088 -9.464 1.00 0.51 O +ATOM 1081 CB LEU A 68 -8.758 -1.027 -6.210 1.00 0.44 C +ATOM 1082 CG LEU A 68 -9.339 0.393 -6.232 1.00 0.76 C +ATOM 1083 CD1 LEU A 68 -10.557 0.436 -7.156 1.00 1.14 C +ATOM 1084 CD2 LEU A 68 -9.761 0.790 -4.815 1.00 1.06 C +ATOM 1085 H LEU A 68 -6.353 -1.870 -6.293 1.00 0.30 H +ATOM 1086 HA LEU A 68 -8.568 -2.171 -8.030 1.00 0.46 H +ATOM 1087 HB2 LEU A 68 -9.561 -1.731 -6.053 1.00 0.70 H +ATOM 1088 HB3 LEU A 68 -8.055 -1.108 -5.394 1.00 0.61 H +ATOM 1089 HG LEU A 68 -8.589 1.081 -6.591 1.00 0.84 H +ATOM 1090 HD11 LEU A 68 -11.151 -0.454 -7.012 1.00 1.55 H +ATOM 1091 HD12 LEU A 68 -11.153 1.307 -6.926 1.00 1.54 H +ATOM 1092 HD13 LEU A 68 -10.229 0.487 -8.184 1.00 1.72 H +ATOM 1093 HD21 LEU A 68 -9.616 -0.048 -4.148 1.00 1.51 H +ATOM 1094 HD22 LEU A 68 -9.163 1.625 -4.481 1.00 1.52 H +ATOM 1095 HD23 LEU A 68 -10.804 1.071 -4.816 1.00 1.60 H +ATOM 1096 N LEU A 69 -7.120 0.789 -8.172 1.00 0.40 N +ATOM 1097 CA LEU A 69 -7.008 1.991 -9.048 1.00 0.47 C +ATOM 1098 C LEU A 69 -6.666 1.556 -10.474 1.00 0.51 C +ATOM 1099 O LEU A 69 -7.269 2.002 -11.429 1.00 0.60 O +ATOM 1100 CB LEU A 69 -5.905 2.912 -8.516 1.00 0.47 C +ATOM 1101 CG LEU A 69 -5.953 4.249 -9.259 1.00 1.14 C +ATOM 1102 CD1 LEU A 69 -7.337 4.879 -9.094 1.00 2.02 C +ATOM 1103 CD2 LEU A 69 -4.896 5.192 -8.680 1.00 1.67 C +ATOM 1104 H LEU A 69 -6.563 0.709 -7.368 1.00 0.36 H +ATOM 1105 HA LEU A 69 -7.950 2.524 -9.054 1.00 0.54 H +ATOM 1106 HB2 LEU A 69 -6.056 3.081 -7.460 1.00 0.81 H +ATOM 1107 HB3 LEU A 69 -4.942 2.449 -8.674 1.00 0.89 H +ATOM 1108 HG LEU A 69 -5.755 4.085 -10.309 1.00 1.90 H +ATOM 1109 HD11 LEU A 69 -7.737 4.623 -8.124 1.00 2.49 H +ATOM 1110 HD12 LEU A 69 -7.256 5.952 -9.177 1.00 2.41 H +ATOM 1111 HD13 LEU A 69 -7.996 4.507 -9.864 1.00 2.62 H +ATOM 1112 HD21 LEU A 69 -4.280 4.654 -7.972 1.00 2.08 H +ATOM 1113 HD22 LEU A 69 -4.277 5.573 -9.479 1.00 2.26 H +ATOM 1114 HD23 LEU A 69 -5.383 6.015 -8.179 1.00 2.09 H +ATOM 1115 N ILE A 70 -5.705 0.687 -10.629 1.00 0.47 N +ATOM 1116 CA ILE A 70 -5.336 0.228 -11.998 1.00 0.57 C +ATOM 1117 C ILE A 70 -6.563 -0.366 -12.683 1.00 0.65 C +ATOM 1118 O ILE A 70 -6.864 -0.045 -13.815 1.00 0.77 O +ATOM 1119 CB ILE A 70 -4.238 -0.832 -11.904 1.00 0.55 C +ATOM 1120 CG1 ILE A 70 -2.979 -0.208 -11.299 1.00 0.51 C +ATOM 1121 CG2 ILE A 70 -3.921 -1.365 -13.301 1.00 0.66 C +ATOM 1122 CD1 ILE A 70 -2.013 -1.316 -10.875 1.00 0.54 C +ATOM 1123 H ILE A 70 -5.229 0.334 -9.848 1.00 0.40 H +ATOM 1124 HA ILE A 70 -4.979 1.067 -12.578 1.00 0.62 H +ATOM 1125 HB ILE A 70 -4.577 -1.644 -11.276 1.00 0.53 H +ATOM 1126 HG12 ILE A 70 -2.503 0.425 -12.035 1.00 0.59 H +ATOM 1127 HG13 ILE A 70 -3.247 0.382 -10.436 1.00 0.48 H +ATOM 1128 HG21 ILE A 70 -4.284 -0.669 -14.043 1.00 1.39 H +ATOM 1129 HG22 ILE A 70 -2.853 -1.482 -13.409 1.00 1.07 H +ATOM 1130 HG23 ILE A 70 -4.404 -2.321 -13.439 1.00 1.17 H +ATOM 1131 HD11 ILE A 70 -2.575 -2.193 -10.592 1.00 1.13 H +ATOM 1132 HD12 ILE A 70 -1.360 -1.558 -11.701 1.00 1.23 H +ATOM 1133 HD13 ILE A 70 -1.424 -0.978 -10.035 1.00 1.10 H +ATOM 1134 N SER A 71 -7.284 -1.220 -12.011 1.00 0.63 N +ATOM 1135 CA SER A 71 -8.492 -1.807 -12.649 1.00 0.76 C +ATOM 1136 C SER A 71 -9.414 -0.667 -13.069 1.00 0.83 C +ATOM 1137 O SER A 71 -9.898 -0.620 -14.183 1.00 0.95 O +ATOM 1138 CB SER A 71 -9.215 -2.712 -11.651 1.00 0.74 C +ATOM 1139 OG SER A 71 -8.357 -2.976 -10.549 1.00 1.53 O +ATOM 1140 H SER A 71 -7.036 -1.467 -11.096 1.00 0.55 H +ATOM 1141 HA SER A 71 -8.202 -2.379 -13.519 1.00 0.83 H +ATOM 1142 HB2 SER A 71 -10.107 -2.222 -11.299 1.00 1.04 H +ATOM 1143 HB3 SER A 71 -9.486 -3.640 -12.140 1.00 1.03 H +ATOM 1144 HG SER A 71 -8.902 -3.050 -9.762 1.00 1.76 H +ATOM 1145 N TYR A 72 -9.648 0.266 -12.187 1.00 0.77 N +ATOM 1146 CA TYR A 72 -10.522 1.416 -12.538 1.00 0.87 C +ATOM 1147 C TYR A 72 -9.950 2.131 -13.767 1.00 0.94 C +ATOM 1148 O TYR A 72 -10.658 2.427 -14.708 1.00 1.07 O +ATOM 1149 CB TYR A 72 -10.580 2.390 -11.361 1.00 0.83 C +ATOM 1150 CG TYR A 72 -11.997 2.475 -10.846 1.00 1.09 C +ATOM 1151 CD1 TYR A 72 -12.574 1.377 -10.198 1.00 1.68 C +ATOM 1152 CD2 TYR A 72 -12.732 3.654 -11.017 1.00 1.74 C +ATOM 1153 CE1 TYR A 72 -13.888 1.457 -9.721 1.00 2.03 C +ATOM 1154 CE2 TYR A 72 -14.046 3.735 -10.540 1.00 1.99 C +ATOM 1155 CZ TYR A 72 -14.624 2.637 -9.891 1.00 1.84 C +ATOM 1156 OH TYR A 72 -15.920 2.717 -9.421 1.00 2.25 O +ATOM 1157 H TYR A 72 -9.238 0.213 -11.297 1.00 0.68 H +ATOM 1158 HA TYR A 72 -11.517 1.058 -12.760 1.00 0.96 H +ATOM 1159 HB2 TYR A 72 -9.930 2.038 -10.572 1.00 0.85 H +ATOM 1160 HB3 TYR A 72 -10.256 3.367 -11.685 1.00 0.87 H +ATOM 1161 HD1 TYR A 72 -12.008 0.467 -10.066 1.00 2.29 H +ATOM 1162 HD2 TYR A 72 -12.287 4.501 -11.517 1.00 2.42 H +ATOM 1163 HE1 TYR A 72 -14.335 0.610 -9.221 1.00 2.78 H +ATOM 1164 HE2 TYR A 72 -14.613 4.645 -10.671 1.00 2.69 H +ATOM 1165 HH TYR A 72 -15.906 3.214 -8.599 1.00 2.43 H +ATOM 1166 N GLY A 73 -8.670 2.405 -13.767 1.00 0.88 N +ATOM 1167 CA GLY A 73 -8.058 3.094 -14.938 1.00 0.98 C +ATOM 1168 C GLY A 73 -8.314 2.269 -16.198 1.00 1.10 C +ATOM 1169 O GLY A 73 -8.734 2.784 -17.215 1.00 1.24 O +ATOM 1170 H GLY A 73 -8.113 2.157 -13.001 1.00 0.78 H +ATOM 1171 HA2 GLY A 73 -8.498 4.074 -15.050 1.00 1.05 H +ATOM 1172 HA3 GLY A 73 -6.994 3.190 -14.786 1.00 0.93 H +ATOM 1173 N ILE A 74 -8.073 0.988 -16.135 1.00 1.07 N +ATOM 1174 CA ILE A 74 -8.317 0.133 -17.332 1.00 1.22 C +ATOM 1175 C ILE A 74 -9.781 0.283 -17.758 1.00 1.34 C +ATOM 1176 O ILE A 74 -10.082 0.473 -18.918 1.00 1.50 O +ATOM 1177 CB ILE A 74 -8.007 -1.334 -16.993 1.00 1.20 C +ATOM 1178 CG1 ILE A 74 -6.498 -1.568 -17.098 1.00 1.37 C +ATOM 1179 CG2 ILE A 74 -8.726 -2.264 -17.976 1.00 1.50 C +ATOM 1180 CD1 ILE A 74 -5.865 -1.466 -15.710 1.00 1.81 C +ATOM 1181 H ILE A 74 -7.737 0.590 -15.301 1.00 0.95 H +ATOM 1182 HA ILE A 74 -7.674 0.458 -18.139 1.00 1.29 H +ATOM 1183 HB ILE A 74 -8.338 -1.550 -15.989 1.00 1.42 H +ATOM 1184 HG12 ILE A 74 -6.312 -2.550 -17.507 1.00 1.68 H +ATOM 1185 HG13 ILE A 74 -6.062 -0.820 -17.745 1.00 1.85 H +ATOM 1186 HG21 ILE A 74 -8.746 -1.808 -18.955 1.00 1.93 H +ATOM 1187 HG22 ILE A 74 -8.201 -3.207 -18.030 1.00 1.99 H +ATOM 1188 HG23 ILE A 74 -9.737 -2.434 -17.638 1.00 1.84 H +ATOM 1189 HD11 ILE A 74 -6.547 -1.861 -14.973 1.00 2.15 H +ATOM 1190 HD12 ILE A 74 -4.945 -2.033 -15.691 1.00 2.28 H +ATOM 1191 HD13 ILE A 74 -5.653 -0.431 -15.486 1.00 2.29 H +ATOM 1192 N ARG A 75 -10.691 0.199 -16.825 1.00 1.29 N +ATOM 1193 CA ARG A 75 -12.136 0.339 -17.174 1.00 1.42 C +ATOM 1194 C ARG A 75 -12.369 1.682 -17.864 1.00 1.52 C +ATOM 1195 O ARG A 75 -13.025 1.754 -18.885 1.00 1.68 O +ATOM 1196 CB ARG A 75 -12.990 0.260 -15.904 1.00 1.36 C +ATOM 1197 CG ARG A 75 -14.446 -0.010 -16.285 1.00 1.61 C +ATOM 1198 CD ARG A 75 -15.272 1.263 -16.091 1.00 1.77 C +ATOM 1199 NE ARG A 75 -15.021 1.815 -14.730 1.00 1.70 N +ATOM 1200 CZ ARG A 75 -15.373 3.040 -14.448 1.00 2.10 C +ATOM 1201 NH1 ARG A 75 -16.604 3.428 -14.647 1.00 2.69 N +ATOM 1202 NH2 ARG A 75 -14.497 3.877 -13.966 1.00 2.54 N +ATOM 1203 H ARG A 75 -10.422 0.046 -15.896 1.00 1.17 H +ATOM 1204 HA ARG A 75 -12.419 -0.458 -17.849 1.00 1.53 H +ATOM 1205 HB2 ARG A 75 -12.628 -0.541 -15.274 1.00 1.77 H +ATOM 1206 HB3 ARG A 75 -12.928 1.196 -15.369 1.00 1.52 H +ATOM 1207 HG2 ARG A 75 -14.495 -0.318 -17.320 1.00 2.02 H +ATOM 1208 HG3 ARG A 75 -14.843 -0.794 -15.656 1.00 2.12 H +ATOM 1209 HD2 ARG A 75 -14.987 1.993 -16.834 1.00 2.20 H +ATOM 1210 HD3 ARG A 75 -16.322 1.031 -16.197 1.00 2.01 H +ATOM 1211 HE ARG A 75 -14.591 1.260 -14.047 1.00 1.66 H +ATOM 1212 HH11 ARG A 75 -17.276 2.787 -15.017 1.00 3.04 H +ATOM 1213 HH12 ARG A 75 -16.874 4.367 -14.433 1.00 3.11 H +ATOM 1214 HH21 ARG A 75 -13.553 3.580 -13.813 1.00 2.81 H +ATOM 1215 HH22 ARG A 75 -14.766 4.816 -13.751 1.00 2.97 H +ATOM 1216 N ARG A 76 -11.839 2.750 -17.329 1.00 1.43 N +ATOM 1217 CA ARG A 76 -12.046 4.070 -17.985 1.00 1.55 C +ATOM 1218 C ARG A 76 -11.541 3.960 -19.420 1.00 1.67 C +ATOM 1219 O ARG A 76 -12.216 4.328 -20.359 1.00 1.83 O +ATOM 1220 CB ARG A 76 -11.256 5.148 -17.239 1.00 1.45 C +ATOM 1221 CG ARG A 76 -11.601 6.524 -17.811 1.00 1.62 C +ATOM 1222 CD ARG A 76 -11.544 7.570 -16.696 1.00 1.72 C +ATOM 1223 NE ARG A 76 -11.975 8.895 -17.227 1.00 2.17 N +ATOM 1224 CZ ARG A 76 -11.658 9.250 -18.443 1.00 2.50 C +ATOM 1225 NH1 ARG A 76 -10.477 9.746 -18.691 1.00 2.89 N +ATOM 1226 NH2 ARG A 76 -12.522 9.107 -19.411 1.00 3.17 N +ATOM 1227 H ARG A 76 -11.309 2.682 -16.508 1.00 1.30 H +ATOM 1228 HA ARG A 76 -13.097 4.317 -17.987 1.00 1.63 H +ATOM 1229 HB2 ARG A 76 -11.513 5.120 -16.189 1.00 1.45 H +ATOM 1230 HB3 ARG A 76 -10.199 4.966 -17.356 1.00 1.41 H +ATOM 1231 HG2 ARG A 76 -10.891 6.780 -18.584 1.00 1.82 H +ATOM 1232 HG3 ARG A 76 -12.596 6.501 -18.230 1.00 2.06 H +ATOM 1233 HD2 ARG A 76 -12.203 7.275 -15.893 1.00 2.19 H +ATOM 1234 HD3 ARG A 76 -10.533 7.643 -16.323 1.00 2.00 H +ATOM 1235 HE ARG A 76 -12.498 9.503 -16.662 1.00 2.74 H +ATOM 1236 HH11 ARG A 76 -9.814 9.856 -17.950 1.00 3.01 H +ATOM 1237 HH12 ARG A 76 -10.234 10.017 -19.623 1.00 3.47 H +ATOM 1238 HH21 ARG A 76 -13.427 8.726 -19.222 1.00 3.47 H +ATOM 1239 HH22 ARG A 76 -12.279 9.378 -20.343 1.00 3.71 H +ATOM 1240 N LEU A 77 -10.372 3.412 -19.595 1.00 1.62 N +ATOM 1241 CA LEU A 77 -9.838 3.226 -20.968 1.00 1.76 C +ATOM 1242 C LEU A 77 -10.847 2.389 -21.754 1.00 1.92 C +ATOM 1243 O LEU A 77 -11.184 2.700 -22.877 1.00 2.09 O +ATOM 1244 CB LEU A 77 -8.499 2.489 -20.903 1.00 1.69 C +ATOM 1245 CG LEU A 77 -7.354 3.498 -20.979 1.00 1.72 C +ATOM 1246 CD1 LEU A 77 -6.075 2.860 -20.433 1.00 1.72 C +ATOM 1247 CD2 LEU A 77 -7.136 3.911 -22.435 1.00 2.01 C +ATOM 1248 H LEU A 77 -9.860 3.093 -18.823 1.00 1.49 H +ATOM 1249 HA LEU A 77 -9.707 4.186 -21.445 1.00 1.83 H +ATOM 1250 HB2 LEU A 77 -8.435 1.940 -19.974 1.00 1.59 H +ATOM 1251 HB3 LEU A 77 -8.425 1.802 -21.733 1.00 1.80 H +ATOM 1252 HG LEU A 77 -7.602 4.369 -20.388 1.00 1.71 H +ATOM 1253 HD11 LEU A 77 -6.215 1.793 -20.345 1.00 1.99 H +ATOM 1254 HD12 LEU A 77 -5.255 3.063 -21.106 1.00 2.11 H +ATOM 1255 HD13 LEU A 77 -5.854 3.274 -19.460 1.00 1.93 H +ATOM 1256 HD21 LEU A 77 -8.090 3.976 -22.938 1.00 2.56 H +ATOM 1257 HD22 LEU A 77 -6.646 4.873 -22.467 1.00 2.23 H +ATOM 1258 HD23 LEU A 77 -6.518 3.176 -22.929 1.00 2.13 H +ATOM 1259 N ILE A 78 -11.311 1.322 -21.144 1.00 1.89 N +ATOM 1260 CA ILE A 78 -12.300 0.399 -21.779 1.00 2.07 C +ATOM 1261 C ILE A 78 -11.558 -0.754 -22.449 1.00 2.17 C +ATOM 1262 O ILE A 78 -10.995 -0.618 -23.516 1.00 2.50 O +ATOM 1263 CB ILE A 78 -13.168 1.137 -22.798 1.00 2.14 C +ATOM 1264 CG1 ILE A 78 -13.786 2.364 -22.123 1.00 2.13 C +ATOM 1265 CG2 ILE A 78 -14.282 0.208 -23.281 1.00 2.25 C +ATOM 1266 CD1 ILE A 78 -13.583 3.597 -23.005 1.00 2.38 C +ATOM 1267 H ILE A 78 -10.995 1.123 -20.241 1.00 1.77 H +ATOM 1268 HA ILE A 78 -12.939 -0.006 -21.005 1.00 2.26 H +ATOM 1269 HB ILE A 78 -12.565 1.442 -23.637 1.00 2.30 H +ATOM 1270 HG12 ILE A 78 -14.843 2.195 -21.975 1.00 2.27 H +ATOM 1271 HG13 ILE A 78 -13.310 2.523 -21.165 1.00 2.04 H +ATOM 1272 HG21 ILE A 78 -14.358 -0.639 -22.616 1.00 2.53 H +ATOM 1273 HG22 ILE A 78 -15.220 0.744 -23.290 1.00 2.38 H +ATOM 1274 HG23 ILE A 78 -14.055 -0.138 -24.279 1.00 2.56 H +ATOM 1275 HD11 ILE A 78 -13.193 3.293 -23.965 1.00 2.64 H +ATOM 1276 HD12 ILE A 78 -14.528 4.101 -23.144 1.00 2.66 H +ATOM 1277 HD13 ILE A 78 -12.883 4.269 -22.529 1.00 2.72 H +ATOM 1278 N LYS A 79 -11.549 -1.893 -21.810 1.00 2.25 N +ATOM 1279 CA LYS A 79 -10.841 -3.072 -22.378 1.00 2.60 C +ATOM 1280 C LYS A 79 -11.762 -3.803 -23.357 1.00 2.97 C +ATOM 1281 O LYS A 79 -12.865 -4.183 -23.019 1.00 3.27 O +ATOM 1282 CB LYS A 79 -10.447 -4.018 -21.239 1.00 2.80 C +ATOM 1283 CG LYS A 79 -9.148 -4.741 -21.598 1.00 3.38 C +ATOM 1284 CD LYS A 79 -8.868 -5.834 -20.563 1.00 3.94 C +ATOM 1285 CE LYS A 79 -8.755 -7.188 -21.268 1.00 4.56 C +ATOM 1286 NZ LYS A 79 -8.756 -8.278 -20.252 1.00 5.22 N +ATOM 1287 H LYS A 79 -12.008 -1.968 -20.948 1.00 2.32 H +ATOM 1288 HA LYS A 79 -9.951 -2.744 -22.896 1.00 2.72 H +ATOM 1289 HB2 LYS A 79 -10.306 -3.447 -20.330 1.00 2.65 H +ATOM 1290 HB3 LYS A 79 -11.232 -4.745 -21.088 1.00 3.01 H +ATOM 1291 HG2 LYS A 79 -9.243 -5.186 -22.578 1.00 3.67 H +ATOM 1292 HG3 LYS A 79 -8.332 -4.034 -21.601 1.00 3.67 H +ATOM 1293 HD2 LYS A 79 -7.942 -5.615 -20.051 1.00 4.28 H +ATOM 1294 HD3 LYS A 79 -9.676 -5.869 -19.849 1.00 4.08 H +ATOM 1295 HE2 LYS A 79 -9.594 -7.317 -21.935 1.00 4.79 H +ATOM 1296 HE3 LYS A 79 -7.835 -7.223 -21.833 1.00 4.75 H +ATOM 1297 HZ1 LYS A 79 -9.627 -8.226 -19.688 1.00 5.33 H +ATOM 1298 HZ2 LYS A 79 -8.709 -9.199 -20.731 1.00 5.57 H +ATOM 1299 HZ3 LYS A 79 -7.929 -8.169 -19.627 1.00 5.57 H +ATOM 1300 N LYS A 80 -11.318 -3.995 -24.570 1.00 3.27 N +ATOM 1301 CA LYS A 80 -12.166 -4.698 -25.578 1.00 3.83 C +ATOM 1302 C LYS A 80 -13.409 -3.855 -25.871 1.00 4.00 C +ATOM 1303 O LYS A 80 -14.435 -4.438 -26.180 1.00 4.36 O +ATOM 1304 CB LYS A 80 -12.597 -6.068 -25.037 1.00 4.43 C +ATOM 1305 CG LYS A 80 -11.368 -6.950 -24.795 1.00 5.03 C +ATOM 1306 CD LYS A 80 -10.712 -7.300 -26.133 1.00 5.77 C +ATOM 1307 CE LYS A 80 -9.211 -7.513 -25.928 1.00 6.68 C +ATOM 1308 NZ LYS A 80 -8.981 -8.832 -25.272 1.00 7.38 N +ATOM 1309 OXT LYS A 80 -13.313 -2.642 -25.783 1.00 4.28 O +ATOM 1310 H LYS A 80 -10.426 -3.670 -24.821 1.00 3.31 H +ATOM 1311 HA LYS A 80 -11.603 -4.832 -26.490 1.00 4.17 H +ATOM 1312 HB2 LYS A 80 -13.133 -5.935 -24.109 1.00 4.57 H +ATOM 1313 HB3 LYS A 80 -13.243 -6.548 -25.756 1.00 4.74 H +ATOM 1314 HG2 LYS A 80 -10.659 -6.423 -24.173 1.00 5.27 H +ATOM 1315 HG3 LYS A 80 -11.672 -7.859 -24.299 1.00 5.11 H +ATOM 1316 HD2 LYS A 80 -11.156 -8.206 -26.523 1.00 5.83 H +ATOM 1317 HD3 LYS A 80 -10.867 -6.494 -26.833 1.00 5.97 H +ATOM 1318 HE2 LYS A 80 -8.712 -7.496 -26.886 1.00 6.97 H +ATOM 1319 HE3 LYS A 80 -8.818 -6.726 -25.303 1.00 6.87 H +ATOM 1320 HZ1 LYS A 80 -9.894 -9.262 -25.026 1.00 7.46 H +ATOM 1321 HZ2 LYS A 80 -8.467 -9.458 -25.926 1.00 7.83 H +ATOM 1322 HZ3 LYS A 80 -8.419 -8.696 -24.408 1.00 7.60 H TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/spanfiles/input_A.span b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/spanfiles/input_A.span index ab6653d..79e5de3 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/spanfiles/input_A.span +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/relax/input/spanfiles/input_A.span @@ -2,5 +2,5 @@ Rosetta-generated spanfile from SpanningTopology object 2 80 antiparallel n2c - 12 33 + 12 32 52 73 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch index eb1d9b0..72af4af 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True XXXtagvXXX /prepare/cleaning True 1 \ No newline at end of file +python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/rosetta_ddg.sbatch index a544bde..def4dc6 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/rosetta_ddg.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/rosetta_ddg.sbatch @@ -11,4 +11,8 @@ INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) echo $INDEX # launching rosetta -bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID \ No newline at end of file +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/input_A.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/input_A.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/input_A.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/input_A.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/withHETATM.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/withHETATM.pdb index 4ec0bf8..55fad25 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/withHETATM.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/cleaning/withHETATM.pdb @@ -1,1494 +1,1492 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 198 N BGLN A 27 6.082 -10.958 16.343 0.43 7.76 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 200 CA BGLN A 27 6.988 -10.016 16.987 0.43 7.64 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 202 CB BGLN A 27 6.882 -9.972 18.502 0.43 6.67 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 204 CG BGLN A 27 7.877 -8.940 18.985 0.43 6.35 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 206 CD BGLN A 27 7.397 -8.071 20.119 0.43 5.63 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 208 OE1BGLN A 27 6.471 -8.423 20.843 0.43 5.20 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 210 NE2BGLN A 27 8.074 -6.950 20.310 0.43 5.25 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 212 C BGLN A 27 8.433 -10.305 16.603 0.43 8.17 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 214 O BGLN A 27 9.174 -9.395 16.241 0.43 6.83 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 366 N BPHE A 45 19.154 0.200 7.430 0.54 13.38 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 368 CA BPHE A 45 18.386 0.953 6.445 0.54 13.71 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 370 CB BPHE A 45 19.320 1.573 5.393 0.54 12.75 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 372 CG BPHE A 45 20.295 2.556 5.961 0.54 11.96 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 374 CD1BPHE A 45 21.661 2.264 5.998 0.54 13.23 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 376 CE1BPHE A 45 22.580 3.197 6.475 0.54 15.19 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 378 CZ BPHE A 45 22.125 4.424 6.960 0.54 14.16 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 380 CE2BPHE A 45 20.763 4.713 6.950 0.54 11.23 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 382 CD2BPHE A 45 19.856 3.777 6.452 0.54 11.18 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 384 C BPHE A 45 17.253 0.218 5.760 0.54 12.87 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 386 O BPHE A 45 16.324 0.857 5.238 0.54 12.81 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 512 CG BMET A 59 -9.009 -9.979 5.778 0.52 26.84 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 514 SD BMET A 59 -9.937 -9.353 4.369 0.52 29.36 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 516 CE BMET A 59 -11.071 -10.728 4.220 0.52 22.56 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 741 CB BVAL A 86 10.446 5.065 -8.501 0.49 6.20 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 743 CG1BVAL A 86 11.901 4.886 -8.875 0.49 6.31 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 745 CG2BVAL A 86 9.539 5.222 -9.721 0.49 5.81 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 801 CB BLEU A 94 6.165 8.806 1.907 0.45 10.53 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 803 CG BLEU A 94 6.116 10.338 2.061 0.45 11.01 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 805 CD1BLEU A 94 4.836 10.889 1.434 0.45 10.97 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 807 CD2BLEU A 94 6.230 10.870 3.487 0.45 10.57 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1183 N BPHE A 142 -14.734 -0.601 -6.093 0.42 7.80 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1185 CA BPHE A 142 -14.171 -1.588 -5.178 0.42 7.36 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1187 CB BPHE A 142 -13.682 -2.820 -5.957 0.42 7.67 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1189 CG BPHE A 142 -13.240 -3.983 -5.089 0.42 8.19 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1191 CD1BPHE A 142 -13.175 -3.872 -3.708 0.42 7.81 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.932 0.42 7.89 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1195 CZ BPHE A 142 -12.395 -6.134 -3.536 0.42 7.97 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1197 CE2BPHE A 142 -12.427 -6.256 -4.913 0.42 7.76 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1199 CD2BPHE A 142 -12.849 -5.193 -5.678 0.42 8.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1201 C BPHE A 142 -13.045 -0.939 -4.385 0.42 7.58 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1203 O BPHE A 142 -12.958 -1.094 -3.145 0.42 7.63 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 198 N BGLN A 27 6.086 -10.967 16.345 0.43 7.76 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 200 CA BGLN A 27 6.991 -10.025 16.990 0.43 7.64 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 202 CB BGLN A 27 6.886 -9.983 18.505 0.43 6.67 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 204 CG BGLN A 27 7.880 -8.950 18.989 0.43 6.35 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 206 CD BGLN A 27 7.399 -8.083 20.124 0.43 5.63 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 208 OE1BGLN A 27 6.474 -8.435 20.848 0.43 5.20 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 210 NE2BGLN A 27 8.076 -6.961 20.316 0.43 5.25 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 212 C BGLN A 27 8.436 -10.313 16.606 0.43 8.17 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 214 O BGLN A 27 9.177 -9.402 16.245 0.43 6.83 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 366 N BPHE A 45 19.152 0.204 7.441 0.54 13.38 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 368 CA BPHE A 45 18.385 0.958 6.458 0.54 13.71 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 370 CB BPHE A 45 19.318 1.579 5.406 0.54 12.75 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 372 CG BPHE A 45 20.293 2.562 5.975 0.54 11.96 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 374 CD1BPHE A 45 21.658 2.270 6.011 0.54 13.23 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 376 CE1BPHE A 45 22.577 3.204 6.490 0.54 15.19 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 378 CZ BPHE A 45 22.123 4.430 6.975 0.54 14.16 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 380 CE2BPHE A 45 20.760 4.718 6.965 0.54 11.23 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 382 CD2BPHE A 45 19.853 3.783 6.466 0.54 11.18 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 384 C BPHE A 45 17.252 0.223 5.772 0.54 12.87 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 386 O BPHE A 45 16.322 0.862 5.250 0.54 12.81 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 512 CG BMET A 59 -9.006 -9.985 5.782 0.52 26.84 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 514 SD BMET A 59 -9.934 -9.358 4.373 0.52 29.36 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 516 CE BMET A 59 -11.069 -10.733 4.223 0.52 22.56 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 741 CB BVAL A 86 10.442 5.079 -8.484 0.49 6.20 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 743 CG1BVAL A 86 11.897 4.901 -8.859 0.49 6.31 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 745 CG2BVAL A 86 9.535 5.237 -9.705 0.49 5.81 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 801 CB BLEU A 94 6.160 8.810 1.927 0.45 10.53 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 803 CG BLEU A 94 6.111 10.342 2.082 0.45 11.01 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 805 CD1BLEU A 94 4.830 10.893 1.455 0.45 10.97 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 807 CD2BLEU A 94 6.224 10.872 3.509 0.45 10.57 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1183 N BPHE A 142 -14.735 -0.599 -6.080 0.42 7.80 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -14.172 -1.586 -5.167 0.42 7.36 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -13.682 -2.817 -5.947 0.42 7.67 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -13.240 -3.981 -5.080 0.42 8.19 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -13.175 -3.871 -3.698 0.42 7.81 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.923 0.42 7.89 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -12.394 -6.132 -3.528 0.42 7.97 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -12.426 -6.254 -4.905 0.42 7.76 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -12.849 -5.190 -5.670 0.42 8.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1201 C BPHE A 142 -13.047 -0.937 -4.373 0.42 7.58 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1203 O BPHE A 142 -12.959 -1.094 -3.134 0.42 7.63 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/input/input.pdb index 097f785..6ad74a4 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/input/input.pdb @@ -1,1453 +1,1451 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat index 2ac3272..37e12fa 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat @@ -2,7 +2,7 @@ ellipse_no z_loc h k a b r00 r01 r10 r11 1 -15 0 0 1 1 1 0 0 1 2 -10 0 0 1 1 1 0 0 1 3 -5 0 0 1 1 1 0 0 1 -4 0 -1.35975 -1.59845 13.767 11.3682 0.895604 0.444852 -0.444852 0.895604 -5 5 0.257356 -3.967 14.3698 11.7764 0.819257 0.573426 -0.573426 0.819257 +4 0 -1.36092 -1.59768 13.7677 11.3668 0.895807 0.444444 -0.444444 0.895807 +5 5 0.257674 -3.97139 14.3687 11.7755 -0.819715 -0.572771 0.572771 -0.819715 6 10 0 0 1 1 1 0 0 1 7 15 0 0 1 1 1 0 0 1 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pdb index 4ec0bf8..55fad25 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pdb @@ -1,1494 +1,1492 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 198 N BGLN A 27 6.082 -10.958 16.343 0.43 7.76 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 200 CA BGLN A 27 6.988 -10.016 16.987 0.43 7.64 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 202 CB BGLN A 27 6.882 -9.972 18.502 0.43 6.67 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 204 CG BGLN A 27 7.877 -8.940 18.985 0.43 6.35 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 206 CD BGLN A 27 7.397 -8.071 20.119 0.43 5.63 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 208 OE1BGLN A 27 6.471 -8.423 20.843 0.43 5.20 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 210 NE2BGLN A 27 8.074 -6.950 20.310 0.43 5.25 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 212 C BGLN A 27 8.433 -10.305 16.603 0.43 8.17 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 214 O BGLN A 27 9.174 -9.395 16.241 0.43 6.83 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 366 N BPHE A 45 19.154 0.200 7.430 0.54 13.38 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 368 CA BPHE A 45 18.386 0.953 6.445 0.54 13.71 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 370 CB BPHE A 45 19.320 1.573 5.393 0.54 12.75 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 372 CG BPHE A 45 20.295 2.556 5.961 0.54 11.96 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 374 CD1BPHE A 45 21.661 2.264 5.998 0.54 13.23 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 376 CE1BPHE A 45 22.580 3.197 6.475 0.54 15.19 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 378 CZ BPHE A 45 22.125 4.424 6.960 0.54 14.16 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 380 CE2BPHE A 45 20.763 4.713 6.950 0.54 11.23 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 382 CD2BPHE A 45 19.856 3.777 6.452 0.54 11.18 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 384 C BPHE A 45 17.253 0.218 5.760 0.54 12.87 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 386 O BPHE A 45 16.324 0.857 5.238 0.54 12.81 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 512 CG BMET A 59 -9.009 -9.979 5.778 0.52 26.84 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 514 SD BMET A 59 -9.937 -9.353 4.369 0.52 29.36 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 516 CE BMET A 59 -11.071 -10.728 4.220 0.52 22.56 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 741 CB BVAL A 86 10.446 5.065 -8.501 0.49 6.20 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 743 CG1BVAL A 86 11.901 4.886 -8.875 0.49 6.31 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 745 CG2BVAL A 86 9.539 5.222 -9.721 0.49 5.81 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 801 CB BLEU A 94 6.165 8.806 1.907 0.45 10.53 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 803 CG BLEU A 94 6.116 10.338 2.061 0.45 11.01 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 805 CD1BLEU A 94 4.836 10.889 1.434 0.45 10.97 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 807 CD2BLEU A 94 6.230 10.870 3.487 0.45 10.57 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1183 N BPHE A 142 -14.734 -0.601 -6.093 0.42 7.80 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1185 CA BPHE A 142 -14.171 -1.588 -5.178 0.42 7.36 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1187 CB BPHE A 142 -13.682 -2.820 -5.957 0.42 7.67 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1189 CG BPHE A 142 -13.240 -3.983 -5.089 0.42 8.19 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1191 CD1BPHE A 142 -13.175 -3.872 -3.708 0.42 7.81 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.932 0.42 7.89 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1195 CZ BPHE A 142 -12.395 -6.134 -3.536 0.42 7.97 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1197 CE2BPHE A 142 -12.427 -6.256 -4.913 0.42 7.76 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1199 CD2BPHE A 142 -12.849 -5.193 -5.678 0.42 8.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1201 C BPHE A 142 -13.045 -0.939 -4.385 0.42 7.58 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1203 O BPHE A 142 -12.958 -1.094 -3.145 0.42 7.63 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 198 N BGLN A 27 6.086 -10.967 16.345 0.43 7.76 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 200 CA BGLN A 27 6.991 -10.025 16.990 0.43 7.64 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 202 CB BGLN A 27 6.886 -9.983 18.505 0.43 6.67 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 204 CG BGLN A 27 7.880 -8.950 18.989 0.43 6.35 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 206 CD BGLN A 27 7.399 -8.083 20.124 0.43 5.63 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 208 OE1BGLN A 27 6.474 -8.435 20.848 0.43 5.20 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 210 NE2BGLN A 27 8.076 -6.961 20.316 0.43 5.25 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 212 C BGLN A 27 8.436 -10.313 16.606 0.43 8.17 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 214 O BGLN A 27 9.177 -9.402 16.245 0.43 6.83 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 366 N BPHE A 45 19.152 0.204 7.441 0.54 13.38 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 368 CA BPHE A 45 18.385 0.958 6.458 0.54 13.71 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 370 CB BPHE A 45 19.318 1.579 5.406 0.54 12.75 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 372 CG BPHE A 45 20.293 2.562 5.975 0.54 11.96 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 374 CD1BPHE A 45 21.658 2.270 6.011 0.54 13.23 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 376 CE1BPHE A 45 22.577 3.204 6.490 0.54 15.19 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 378 CZ BPHE A 45 22.123 4.430 6.975 0.54 14.16 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 380 CE2BPHE A 45 20.760 4.718 6.965 0.54 11.23 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 382 CD2BPHE A 45 19.853 3.783 6.466 0.54 11.18 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 384 C BPHE A 45 17.252 0.223 5.772 0.54 12.87 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 386 O BPHE A 45 16.322 0.862 5.250 0.54 12.81 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 512 CG BMET A 59 -9.006 -9.985 5.782 0.52 26.84 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 514 SD BMET A 59 -9.934 -9.358 4.373 0.52 29.36 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 516 CE BMET A 59 -11.069 -10.733 4.223 0.52 22.56 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 741 CB BVAL A 86 10.442 5.079 -8.484 0.49 6.20 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 743 CG1BVAL A 86 11.897 4.901 -8.859 0.49 6.31 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 745 CG2BVAL A 86 9.535 5.237 -9.705 0.49 5.81 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 801 CB BLEU A 94 6.160 8.810 1.927 0.45 10.53 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 803 CG BLEU A 94 6.111 10.342 2.082 0.45 11.01 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 805 CD1BLEU A 94 4.830 10.893 1.455 0.45 10.97 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 807 CD2BLEU A 94 6.224 10.872 3.509 0.45 10.57 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1183 N BPHE A 142 -14.735 -0.599 -6.080 0.42 7.80 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -14.172 -1.586 -5.167 0.42 7.36 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -13.682 -2.817 -5.947 0.42 7.67 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -13.240 -3.981 -5.080 0.42 8.19 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -13.175 -3.871 -3.698 0.42 7.81 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.923 0.42 7.89 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -12.394 -6.132 -3.528 0.42 7.97 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -12.426 -6.254 -4.905 0.42 7.76 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -12.849 -5.190 -5.670 0.42 8.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1201 C BPHE A 142 -13.047 -0.937 -4.373 0.42 7.58 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1203 O BPHE A 142 -12.959 -1.094 -3.134 0.42 7.63 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pml new file mode 100644 index 0000000..840c8f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all.pml new file mode 100644 index 0000000..91d39de --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml new file mode 100644 index 0000000..1928ccd --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml new file mode 100644 index 0000000..fd096f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm_lig +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_atm.pml new file mode 100644 index 0000000..948c84a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/mp_files/superpose/input_mp_aligned_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/output/output.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/output/output.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/output/output.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/prepare/output/output.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/relax/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/relax/input/input.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/relax/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/relax/input/input.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch index eb1d9b0..72af4af 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True XXXtagvXXX /prepare/cleaning True 1 \ No newline at end of file +python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/rosetta_ddg.sbatch index a544bde..def4dc6 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/rosetta_ddg.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/rosetta_ddg.sbatch @@ -11,4 +11,8 @@ INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) echo $INDEX # launching rosetta -bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID \ No newline at end of file +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/input_A.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/input_A.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/input_A.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/input_A.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/withHETATM.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/withHETATM.pdb index 4ec0bf8..55fad25 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/withHETATM.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/cleaning/withHETATM.pdb @@ -1,1494 +1,1492 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 198 N BGLN A 27 6.082 -10.958 16.343 0.43 7.76 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 200 CA BGLN A 27 6.988 -10.016 16.987 0.43 7.64 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 202 CB BGLN A 27 6.882 -9.972 18.502 0.43 6.67 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 204 CG BGLN A 27 7.877 -8.940 18.985 0.43 6.35 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 206 CD BGLN A 27 7.397 -8.071 20.119 0.43 5.63 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 208 OE1BGLN A 27 6.471 -8.423 20.843 0.43 5.20 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 210 NE2BGLN A 27 8.074 -6.950 20.310 0.43 5.25 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 212 C BGLN A 27 8.433 -10.305 16.603 0.43 8.17 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 214 O BGLN A 27 9.174 -9.395 16.241 0.43 6.83 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 366 N BPHE A 45 19.154 0.200 7.430 0.54 13.38 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 368 CA BPHE A 45 18.386 0.953 6.445 0.54 13.71 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 370 CB BPHE A 45 19.320 1.573 5.393 0.54 12.75 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 372 CG BPHE A 45 20.295 2.556 5.961 0.54 11.96 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 374 CD1BPHE A 45 21.661 2.264 5.998 0.54 13.23 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 376 CE1BPHE A 45 22.580 3.197 6.475 0.54 15.19 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 378 CZ BPHE A 45 22.125 4.424 6.960 0.54 14.16 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 380 CE2BPHE A 45 20.763 4.713 6.950 0.54 11.23 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 382 CD2BPHE A 45 19.856 3.777 6.452 0.54 11.18 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 384 C BPHE A 45 17.253 0.218 5.760 0.54 12.87 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 386 O BPHE A 45 16.324 0.857 5.238 0.54 12.81 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 512 CG BMET A 59 -9.009 -9.979 5.778 0.52 26.84 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 514 SD BMET A 59 -9.937 -9.353 4.369 0.52 29.36 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 516 CE BMET A 59 -11.071 -10.728 4.220 0.52 22.56 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 741 CB BVAL A 86 10.446 5.065 -8.501 0.49 6.20 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 743 CG1BVAL A 86 11.901 4.886 -8.875 0.49 6.31 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 745 CG2BVAL A 86 9.539 5.222 -9.721 0.49 5.81 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 801 CB BLEU A 94 6.165 8.806 1.907 0.45 10.53 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 803 CG BLEU A 94 6.116 10.338 2.061 0.45 11.01 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 805 CD1BLEU A 94 4.836 10.889 1.434 0.45 10.97 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 807 CD2BLEU A 94 6.230 10.870 3.487 0.45 10.57 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1183 N BPHE A 142 -14.734 -0.601 -6.093 0.42 7.80 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1185 CA BPHE A 142 -14.171 -1.588 -5.178 0.42 7.36 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1187 CB BPHE A 142 -13.682 -2.820 -5.957 0.42 7.67 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1189 CG BPHE A 142 -13.240 -3.983 -5.089 0.42 8.19 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1191 CD1BPHE A 142 -13.175 -3.872 -3.708 0.42 7.81 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.932 0.42 7.89 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1195 CZ BPHE A 142 -12.395 -6.134 -3.536 0.42 7.97 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1197 CE2BPHE A 142 -12.427 -6.256 -4.913 0.42 7.76 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1199 CD2BPHE A 142 -12.849 -5.193 -5.678 0.42 8.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1201 C BPHE A 142 -13.045 -0.939 -4.385 0.42 7.58 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1203 O BPHE A 142 -12.958 -1.094 -3.145 0.42 7.63 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 198 N BGLN A 27 6.086 -10.967 16.345 0.43 7.76 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 200 CA BGLN A 27 6.991 -10.025 16.990 0.43 7.64 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 202 CB BGLN A 27 6.886 -9.983 18.505 0.43 6.67 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 204 CG BGLN A 27 7.880 -8.950 18.989 0.43 6.35 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 206 CD BGLN A 27 7.399 -8.083 20.124 0.43 5.63 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 208 OE1BGLN A 27 6.474 -8.435 20.848 0.43 5.20 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 210 NE2BGLN A 27 8.076 -6.961 20.316 0.43 5.25 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 212 C BGLN A 27 8.436 -10.313 16.606 0.43 8.17 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 214 O BGLN A 27 9.177 -9.402 16.245 0.43 6.83 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 366 N BPHE A 45 19.152 0.204 7.441 0.54 13.38 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 368 CA BPHE A 45 18.385 0.958 6.458 0.54 13.71 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 370 CB BPHE A 45 19.318 1.579 5.406 0.54 12.75 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 372 CG BPHE A 45 20.293 2.562 5.975 0.54 11.96 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 374 CD1BPHE A 45 21.658 2.270 6.011 0.54 13.23 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 376 CE1BPHE A 45 22.577 3.204 6.490 0.54 15.19 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 378 CZ BPHE A 45 22.123 4.430 6.975 0.54 14.16 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 380 CE2BPHE A 45 20.760 4.718 6.965 0.54 11.23 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 382 CD2BPHE A 45 19.853 3.783 6.466 0.54 11.18 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 384 C BPHE A 45 17.252 0.223 5.772 0.54 12.87 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 386 O BPHE A 45 16.322 0.862 5.250 0.54 12.81 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 512 CG BMET A 59 -9.006 -9.985 5.782 0.52 26.84 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 514 SD BMET A 59 -9.934 -9.358 4.373 0.52 29.36 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 516 CE BMET A 59 -11.069 -10.733 4.223 0.52 22.56 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 741 CB BVAL A 86 10.442 5.079 -8.484 0.49 6.20 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 743 CG1BVAL A 86 11.897 4.901 -8.859 0.49 6.31 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 745 CG2BVAL A 86 9.535 5.237 -9.705 0.49 5.81 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 801 CB BLEU A 94 6.160 8.810 1.927 0.45 10.53 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 803 CG BLEU A 94 6.111 10.342 2.082 0.45 11.01 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 805 CD1BLEU A 94 4.830 10.893 1.455 0.45 10.97 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 807 CD2BLEU A 94 6.224 10.872 3.509 0.45 10.57 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1183 N BPHE A 142 -14.735 -0.599 -6.080 0.42 7.80 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -14.172 -1.586 -5.167 0.42 7.36 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -13.682 -2.817 -5.947 0.42 7.67 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -13.240 -3.981 -5.080 0.42 8.19 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -13.175 -3.871 -3.698 0.42 7.81 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.923 0.42 7.89 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -12.394 -6.132 -3.528 0.42 7.97 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -12.426 -6.254 -4.905 0.42 7.76 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -12.849 -5.190 -5.670 0.42 8.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1201 C BPHE A 142 -13.047 -0.937 -4.373 0.42 7.58 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1203 O BPHE A 142 -12.959 -1.094 -3.134 0.42 7.63 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/input/input.pdb index 097f785..6ad74a4 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/input/input.pdb @@ -1,1453 +1,1451 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb index 0abb10a..97779f0 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb @@ -1,2922 +1,2922 @@ -HEADER 16-MAY-22 XXXX +HEADER XXXX EXPDTA THEORETICAL MODEL REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING -REMARK 220 DATE OF DATA COLLECTION : 16-MAY-22 +REMARK 220 DATE OF DATA COLLECTION : REMARK 220 REMARK 220 REMARK: MODEL GENERATED BY ROSETTA -REMARK 220 VERSION 2021.31+HEAD.c7009b3115c -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 0.00 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 0.00 C -ATOM 3 C GLU A 1 0.854 -13.279 -17.825 1.00 0.00 C -ATOM 4 O GLU A 1 -0.274 -13.136 -18.313 1.00 0.00 O -ATOM 5 CB GLU A 1 3.109 -14.400 -17.880 1.00 0.00 C -ATOM 6 CG GLU A 1 3.633 -14.503 -16.462 1.00 0.00 C -ATOM 7 CD GLU A 1 5.128 -14.403 -16.480 1.00 0.00 C -ATOM 8 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 0.00 O -ATOM 9 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 0.00 O -ATOM 10 1H GLU A 1 1.815 -16.076 -19.443 1.00 0.00 H -ATOM 11 2H GLU A 1 0.327 -15.405 -19.422 1.00 0.00 H -ATOM 12 3H GLU A 1 1.580 -14.592 -20.083 1.00 0.00 H -ATOM 13 HA GLU A 1 1.257 -15.276 -17.246 1.00 0.00 H -ATOM 14 1HB GLU A 1 3.636 -15.142 -18.479 1.00 0.00 H -ATOM 15 2HB GLU A 1 3.384 -13.416 -18.261 1.00 0.00 H -ATOM 16 1HG GLU A 1 3.200 -13.699 -15.867 1.00 0.00 H -ATOM 17 2HG GLU A 1 3.308 -15.450 -16.034 1.00 0.00 H -ATOM 18 N ARG A 2 1.495 -12.332 -17.123 1.00 0.00 N -ATOM 19 CA ARG A 2 0.854 -11.145 -16.539 1.00 0.00 C -ATOM 20 C ARG A 2 1.895 -10.400 -15.671 1.00 0.00 C -ATOM 21 O ARG A 2 2.337 -9.311 -16.037 1.00 0.00 O -ATOM 22 CB ARG A 2 -0.420 -11.545 -15.737 1.00 0.00 C -ATOM 23 CG ARG A 2 -0.878 -10.620 -14.603 1.00 0.00 C -ATOM 24 CD ARG A 2 -2.088 -9.757 -14.944 1.00 0.00 C -ATOM 25 NE ARG A 2 -2.036 -8.419 -14.321 1.00 0.00 N -ATOM 26 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 0.00 C -ATOM 27 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 0.00 N -ATOM 28 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 0.00 N -ATOM 29 H ARG A 2 2.489 -12.465 -17.000 1.00 0.00 H -ATOM 30 HA ARG A 2 0.558 -10.478 -17.349 1.00 0.00 H -ATOM 31 1HB ARG A 2 -1.267 -11.626 -16.417 1.00 0.00 H -ATOM 32 2HB ARG A 2 -0.271 -12.524 -15.282 1.00 0.00 H -ATOM 33 1HG ARG A 2 -1.149 -11.218 -13.733 1.00 0.00 H -ATOM 34 2HG ARG A 2 -0.067 -9.940 -14.338 1.00 0.00 H -ATOM 35 1HD ARG A 2 -2.143 -9.617 -16.023 1.00 0.00 H -ATOM 36 2HD ARG A 2 -2.995 -10.249 -14.596 1.00 0.00 H -ATOM 37 HE ARG A 2 -1.333 -8.258 -13.612 1.00 0.00 H -ATOM 38 1HH1 ARG A 2 -3.947 -8.468 -16.012 1.00 0.00 H -ATOM 39 2HH1 ARG A 2 -4.443 -6.806 -15.780 1.00 0.00 H -ATOM 40 1HH2 ARG A 2 -2.023 -6.102 -13.342 1.00 0.00 H -ATOM 41 2HH2 ARG A 2 -3.362 -5.485 -14.283 1.00 0.00 H -ATOM 42 N ALA A 3 2.282 -11.010 -14.540 1.00 50.00 N -ATOM 43 CA ALA A 3 3.239 -10.436 -13.577 1.00 50.00 C -ATOM 44 C ALA A 3 4.708 -10.402 -14.089 1.00 50.00 C -ATOM 45 O ALA A 3 5.343 -11.461 -14.221 1.00 50.00 O -ATOM 46 CB ALA A 3 3.184 -11.216 -12.239 1.00 50.00 C -ATOM 47 H ALA A 3 1.882 -11.919 -14.354 1.00 50.00 H -ATOM 48 HA ALA A 3 2.956 -9.399 -13.395 1.00 50.00 H -ATOM 49 1HB ALA A 3 3.895 -10.783 -11.536 1.00 50.00 H -ATOM 50 2HB ALA A 3 2.178 -11.154 -11.823 1.00 50.00 H -ATOM 51 3HB ALA A 3 3.439 -12.260 -12.416 1.00 50.00 H -ATOM 52 N GLY A 4 5.234 -9.192 -14.343 1.00 50.00 N -ATOM 53 CA GLY A 4 6.658 -8.975 -14.509 1.00 50.00 C -ATOM 54 C GLY A 4 7.450 -9.319 -13.242 1.00 50.00 C -ATOM 55 O GLY A 4 6.888 -9.621 -12.180 1.00 50.00 O -ATOM 56 H GLY A 4 4.604 -8.406 -14.420 1.00 50.00 H -ATOM 57 1HA GLY A 4 7.025 -9.583 -15.336 1.00 50.00 H -ATOM 58 2HA GLY A 4 6.839 -7.933 -14.772 1.00 50.00 H -ATOM 59 N PRO A 5 8.798 -9.230 -13.293 1.00 50.00 N -ATOM 60 CA PRO A 5 9.635 -9.656 -12.168 1.00 50.00 C -ATOM 61 C PRO A 5 9.434 -8.867 -10.899 1.00 50.00 C -ATOM 62 O PRO A 5 9.600 -9.424 -9.827 1.00 50.00 O -ATOM 63 CB PRO A 5 11.079 -9.462 -12.705 1.00 50.00 C -ATOM 64 CG PRO A 5 10.926 -8.506 -13.840 1.00 50.00 C -ATOM 65 CD PRO A 5 9.570 -8.709 -14.432 1.00 50.00 C -ATOM 66 HA PRO A 5 9.437 -10.716 -11.951 1.00 50.00 H -ATOM 67 1HB PRO A 5 11.728 -9.074 -11.906 1.00 50.00 H -ATOM 68 2HB PRO A 5 11.497 -10.430 -13.018 1.00 50.00 H -ATOM 69 1HG PRO A 5 11.048 -7.472 -13.485 1.00 50.00 H -ATOM 70 2HG PRO A 5 11.711 -8.679 -14.591 1.00 50.00 H -ATOM 71 1HD PRO A 5 9.177 -7.745 -14.788 1.00 50.00 H -ATOM 72 2HD PRO A 5 9.635 -9.431 -15.259 1.00 50.00 H -ATOM 73 N VAL A 6 9.147 -7.566 -10.996 1.00 50.00 N -ATOM 74 CA VAL A 6 9.000 -6.787 -9.778 1.00 50.00 C -ATOM 75 C VAL A 6 7.693 -7.185 -9.108 1.00 50.00 C -ATOM 76 O VAL A 6 7.656 -7.450 -7.906 1.00 50.00 O -ATOM 77 CB VAL A 6 9.023 -5.276 -10.042 1.00 50.00 C -ATOM 78 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 50.00 C -ATOM 79 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 50.00 C -ATOM 80 H VAL A 6 9.030 -7.109 -11.889 1.00 50.00 H -ATOM 81 HA VAL A 6 9.834 -7.020 -9.115 1.00 50.00 H -ATOM 82 HB VAL A 6 8.235 -5.029 -10.753 1.00 50.00 H -ATOM 83 1HG1 VAL A 6 8.735 -3.431 -8.974 1.00 50.00 H -ATOM 84 2HG1 VAL A 6 7.725 -4.779 -8.401 1.00 50.00 H -ATOM 85 3HG1 VAL A 6 9.461 -4.736 -8.007 1.00 50.00 H -ATOM 86 1HG2 VAL A 6 10.380 -3.788 -10.805 1.00 50.00 H -ATOM 87 2HG2 VAL A 6 11.167 -5.112 -9.913 1.00 50.00 H -ATOM 88 3HG2 VAL A 6 10.548 -5.391 -11.559 1.00 50.00 H -ATOM 89 N THR A 7 6.616 -7.255 -9.901 1.00 50.00 N -ATOM 90 CA THR A 7 5.333 -7.748 -9.375 1.00 50.00 C -ATOM 91 C THR A 7 5.482 -9.084 -8.637 1.00 50.00 C -ATOM 92 O THR A 7 4.996 -9.259 -7.532 1.00 50.00 O -ATOM 93 CB THR A 7 4.293 -7.879 -10.473 1.00 50.00 C -ATOM 94 OG1 THR A 7 4.102 -6.580 -11.086 1.00 50.00 O -ATOM 95 CG2 THR A 7 2.999 -8.375 -9.830 1.00 50.00 C -ATOM 96 H THR A 7 6.674 -6.970 -10.868 1.00 50.00 H -ATOM 97 HA THR A 7 4.962 -7.032 -8.641 1.00 50.00 H -ATOM 98 HB THR A 7 4.644 -8.587 -11.224 1.00 50.00 H -ATOM 99 HG1 THR A 7 4.674 -5.938 -10.659 1.00 50.00 H -ATOM 100 1HG2 THR A 7 2.230 -8.480 -10.595 1.00 50.00 H -ATOM 101 2HG2 THR A 7 3.175 -9.341 -9.357 1.00 50.00 H -ATOM 102 3HG2 THR A 7 2.668 -7.658 -9.079 1.00 50.00 H -ATOM 103 N TRP A 8 6.247 -9.988 -9.257 1.00 50.00 N -ATOM 104 CA TRP A 8 6.453 -11.345 -8.778 1.00 50.00 C -ATOM 105 C TRP A 8 7.314 -11.407 -7.523 1.00 50.00 C -ATOM 106 O TRP A 8 6.990 -12.099 -6.570 1.00 50.00 O -ATOM 107 CB TRP A 8 7.103 -12.106 -9.910 1.00 50.00 C -ATOM 108 CG TRP A 8 7.532 -13.463 -9.667 1.00 50.00 C -ATOM 109 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 50.00 C -ATOM 110 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 50.00 C -ATOM 111 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 50.00 N -ATOM 112 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 50.00 C -ATOM 113 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 50.00 C -ATOM 114 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 50.00 C -ATOM 115 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 50.00 C -ATOM 116 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 50.00 C -ATOM 117 H TRP A 8 6.702 -9.693 -10.109 1.00 50.00 H -ATOM 118 HA TRP A 8 5.482 -11.777 -8.535 1.00 50.00 H -ATOM 119 1HB TRP A 8 6.415 -12.160 -10.754 1.00 50.00 H -ATOM 120 2HB TRP A 8 7.991 -11.571 -10.245 1.00 50.00 H -ATOM 121 HD1 TRP A 8 9.626 -13.375 -10.247 1.00 50.00 H -ATOM 122 HE1 TRP A 8 9.623 -15.885 -9.757 1.00 50.00 H -ATOM 123 HE3 TRP A 8 4.725 -13.857 -8.892 1.00 50.00 H -ATOM 124 HZ2 TRP A 8 7.781 -17.846 -8.854 1.00 50.00 H -ATOM 125 HZ3 TRP A 8 3.923 -16.063 -8.141 1.00 50.00 H -ATOM 126 HH2 TRP A 8 5.430 -18.063 -8.175 1.00 50.00 H -ATOM 127 N VAL A 9 8.447 -10.714 -7.548 1.00 50.00 N -ATOM 128 CA VAL A 9 9.376 -10.819 -6.462 1.00 50.00 C -ATOM 129 C VAL A 9 8.763 -10.253 -5.174 1.00 50.00 C -ATOM 130 O VAL A 9 8.949 -10.802 -4.133 1.00 50.00 O -ATOM 131 CB VAL A 9 10.764 -10.235 -6.799 1.00 50.00 C -ATOM 132 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 50.00 C -ATOM 133 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 50.00 C -ATOM 134 H VAL A 9 8.667 -10.109 -8.326 1.00 50.00 H -ATOM 135 HA VAL A 9 9.514 -11.875 -6.226 1.00 50.00 H -ATOM 136 HB VAL A 9 10.633 -9.263 -7.275 1.00 50.00 H -ATOM 137 1HG1 VAL A 9 12.568 -9.629 -5.801 1.00 50.00 H -ATOM 138 2HG1 VAL A 9 11.080 -9.355 -4.865 1.00 50.00 H -ATOM 139 3HG1 VAL A 9 11.731 -11.003 -5.041 1.00 50.00 H -ATOM 140 1HG2 VAL A 9 12.463 -10.758 -7.974 1.00 50.00 H -ATOM 141 2HG2 VAL A 9 11.603 -12.141 -7.256 1.00 50.00 H -ATOM 142 3HG2 VAL A 9 10.904 -11.283 -8.650 1.00 50.00 H -ATOM 143 N MET A 10 7.988 -9.175 -5.278 1.00 0.00 N -ATOM 144 CA MET A 10 7.333 -8.639 -4.103 1.00 0.00 C -ATOM 145 C MET A 10 6.336 -9.668 -3.486 1.00 0.00 C -ATOM 146 O MET A 10 6.190 -9.728 -2.248 1.00 0.00 O -ATOM 147 CB MET A 10 6.600 -7.375 -4.509 1.00 0.00 C -ATOM 148 CG MET A 10 5.615 -6.846 -3.470 1.00 0.00 C -ATOM 149 SD MET A 10 6.452 -6.280 -1.975 1.00 0.00 S -ATOM 150 CE MET A 10 7.260 -4.802 -2.550 1.00 0.00 C -ATOM 151 H MET A 10 7.848 -8.721 -6.169 1.00 0.00 H -ATOM 152 HA MET A 10 8.095 -8.402 -3.360 1.00 0.00 H -ATOM 153 1HB MET A 10 7.322 -6.586 -4.712 1.00 0.00 H -ATOM 154 2HB MET A 10 6.045 -7.556 -5.430 1.00 0.00 H -ATOM 155 1HG MET A 10 5.051 -6.016 -3.893 1.00 0.00 H -ATOM 156 2HG MET A 10 4.911 -7.634 -3.202 1.00 0.00 H -ATOM 157 1HE MET A 10 7.815 -4.348 -1.729 1.00 0.00 H -ATOM 158 2HE MET A 10 7.948 -5.054 -3.359 1.00 0.00 H -ATOM 159 3HE MET A 10 6.512 -4.097 -2.916 1.00 0.00 H -ATOM 160 N MET A 11 5.594 -10.390 -4.355 1.00 50.00 N -ATOM 161 CA MET A 11 4.613 -11.432 -3.942 1.00 50.00 C -ATOM 162 C MET A 11 5.331 -12.564 -3.211 1.00 50.00 C -ATOM 163 O MET A 11 4.982 -12.919 -2.094 1.00 50.00 O -ATOM 164 CB MET A 11 3.844 -11.979 -5.154 1.00 50.00 C -ATOM 165 CG MET A 11 2.834 -10.972 -5.684 1.00 50.00 C -ATOM 166 SD MET A 11 1.986 -11.347 -7.252 1.00 50.00 S -ATOM 167 CE MET A 11 0.570 -12.262 -6.627 1.00 50.00 C -ATOM 168 H MET A 11 5.725 -10.199 -5.338 1.00 50.00 H -ATOM 169 HA MET A 11 3.896 -10.980 -3.257 1.00 50.00 H -ATOM 170 1HB MET A 11 4.547 -12.233 -5.946 1.00 50.00 H -ATOM 171 2HB MET A 11 3.324 -12.895 -4.872 1.00 50.00 H -ATOM 172 1HG MET A 11 2.041 -10.832 -4.950 1.00 50.00 H -ATOM 173 2HG MET A 11 3.326 -10.012 -5.842 1.00 50.00 H -ATOM 174 1HE MET A 11 -0.061 -12.571 -7.461 1.00 50.00 H -ATOM 175 2HE MET A 11 0.916 -13.144 -6.087 1.00 50.00 H -ATOM 176 3HE MET A 11 -0.005 -11.627 -5.953 1.00 50.00 H -ATOM 177 N ILE A 12 6.375 -13.087 -3.848 1.00 50.00 N -ATOM 178 CA ILE A 12 7.221 -14.091 -3.250 1.00 50.00 C -ATOM 179 C ILE A 12 7.729 -13.627 -1.872 1.00 50.00 C -ATOM 180 O ILE A 12 7.610 -14.326 -0.866 1.00 50.00 O -ATOM 181 CB ILE A 12 8.415 -14.378 -4.182 1.00 50.00 C -ATOM 182 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 50.00 C -ATOM 183 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 50.00 C -ATOM 184 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 50.00 C -ATOM 185 H ILE A 12 6.578 -12.766 -4.784 1.00 50.00 H -ATOM 186 HA ILE A 12 6.639 -15.003 -3.124 1.00 50.00 H -ATOM 187 HB ILE A 12 8.793 -13.440 -4.588 1.00 50.00 H -ATOM 188 1HG1 ILE A 12 7.688 -16.215 -4.988 1.00 50.00 H -ATOM 189 2HG1 ILE A 12 7.052 -14.779 -5.775 1.00 50.00 H -ATOM 190 1HG2 ILE A 12 10.373 -15.263 -4.122 1.00 50.00 H -ATOM 191 2HG2 ILE A 12 9.890 -14.438 -2.621 1.00 50.00 H -ATOM 192 3HG2 ILE A 12 9.188 -16.021 -3.031 1.00 50.00 H -ATOM 193 1HD1 ILE A 12 8.621 -15.964 -7.250 1.00 50.00 H -ATOM 194 2HD1 ILE A 12 9.259 -14.358 -6.822 1.00 50.00 H -ATOM 195 3HD1 ILE A 12 9.904 -15.814 -6.027 1.00 50.00 H -ATOM 196 N ALA A 13 8.294 -12.421 -1.842 1.00 50.00 N -ATOM 197 CA ALA A 13 8.860 -11.849 -0.642 1.00 50.00 C -ATOM 198 C ALA A 13 7.838 -11.730 0.486 1.00 50.00 C -ATOM 199 O ALA A 13 8.143 -12.075 1.604 1.00 50.00 O -ATOM 200 CB ALA A 13 9.471 -10.514 -0.928 1.00 50.00 C -ATOM 201 H ALA A 13 8.323 -11.891 -2.701 1.00 50.00 H -ATOM 202 HA ALA A 13 9.640 -12.520 -0.282 1.00 50.00 H -ATOM 203 1HB ALA A 13 9.891 -10.102 -0.010 1.00 50.00 H -ATOM 204 2HB ALA A 13 10.261 -10.627 -1.670 1.00 50.00 H -ATOM 205 3HB ALA A 13 8.707 -9.840 -1.312 1.00 50.00 H -ATOM 206 N CYS A 14 6.622 -11.261 0.172 1.00 0.00 N -ATOM 207 CA CYS A 14 5.558 -11.156 1.177 1.00 0.00 C -ATOM 208 C CYS A 14 5.105 -12.542 1.729 1.00 0.00 C -ATOM 209 O CYS A 14 4.805 -12.697 2.925 1.00 0.00 O -ATOM 210 CB CYS A 14 4.341 -10.402 0.590 1.00 0.00 C -ATOM 211 SG CYS A 14 4.621 -8.636 0.447 1.00 0.00 S -ATOM 212 H CYS A 14 6.432 -10.973 -0.777 1.00 0.00 H -ATOM 213 HA CYS A 14 5.941 -10.594 2.029 1.00 0.00 H -ATOM 214 1HB CYS A 14 4.108 -10.800 -0.398 1.00 0.00 H -ATOM 215 2HB CYS A 14 3.470 -10.568 1.224 1.00 0.00 H -ATOM 216 HG CYS A 14 3.428 -8.347 -0.064 1.00 0.00 H -ATOM 217 N VAL A 15 5.076 -13.539 0.842 1.00 50.00 N -ATOM 218 CA VAL A 15 4.679 -14.861 1.237 1.00 50.00 C -ATOM 219 C VAL A 15 5.733 -15.491 2.148 1.00 50.00 C -ATOM 220 O VAL A 15 5.409 -16.033 3.218 1.00 50.00 O -ATOM 221 CB VAL A 15 4.373 -15.728 0.034 1.00 50.00 C -ATOM 222 CG1 VAL A 15 4.132 -17.142 0.511 1.00 50.00 C -ATOM 223 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 50.00 C -ATOM 224 H VAL A 15 5.335 -13.370 -0.120 1.00 50.00 H -ATOM 225 HA VAL A 15 3.774 -14.785 1.841 1.00 50.00 H -ATOM 226 HB VAL A 15 5.233 -15.721 -0.635 1.00 50.00 H -ATOM 227 1HG1 VAL A 15 3.910 -17.782 -0.344 1.00 50.00 H -ATOM 228 2HG1 VAL A 15 5.023 -17.512 1.018 1.00 50.00 H -ATOM 229 3HG1 VAL A 15 3.289 -17.154 1.201 1.00 50.00 H -ATOM 230 1HG2 VAL A 15 2.909 -15.785 -1.569 1.00 50.00 H -ATOM 231 2HG2 VAL A 15 2.276 -15.164 -0.026 1.00 50.00 H -ATOM 232 3HG2 VAL A 15 3.334 -14.144 -1.030 1.00 50.00 H -ATOM 233 N VAL A 16 6.996 -15.384 1.738 1.00 50.00 N -ATOM 234 CA VAL A 16 8.106 -15.901 2.555 1.00 50.00 C -ATOM 235 C VAL A 16 8.107 -15.251 3.959 1.00 50.00 C -ATOM 236 O VAL A 16 8.268 -15.933 4.956 1.00 50.00 O -ATOM 237 CB VAL A 16 9.464 -15.715 1.842 1.00 50.00 C -ATOM 238 CG1 VAL A 16 10.612 -16.003 2.776 1.00 50.00 C -ATOM 239 CG2 VAL A 16 9.570 -16.660 0.666 1.00 50.00 C -ATOM 240 H VAL A 16 7.201 -14.942 0.853 1.00 50.00 H -ATOM 241 HA VAL A 16 7.949 -16.968 2.716 1.00 50.00 H -ATOM 242 HB VAL A 16 9.540 -14.687 1.488 1.00 50.00 H -ATOM 243 1HG1 VAL A 16 11.555 -15.864 2.247 1.00 50.00 H -ATOM 244 2HG1 VAL A 16 10.569 -15.322 3.626 1.00 50.00 H -ATOM 245 3HG1 VAL A 16 10.544 -17.032 3.130 1.00 50.00 H -ATOM 246 1HG2 VAL A 16 10.531 -16.519 0.171 1.00 50.00 H -ATOM 247 2HG2 VAL A 16 9.490 -17.689 1.018 1.00 50.00 H -ATOM 248 3HG2 VAL A 16 8.765 -16.454 -0.040 1.00 50.00 H -ATOM 249 N VAL A 17 7.944 -13.925 4.011 1.00 0.00 N -ATOM 250 CA VAL A 17 7.911 -13.241 5.273 1.00 0.00 C -ATOM 251 C VAL A 17 6.704 -13.708 6.134 1.00 0.00 C -ATOM 252 O VAL A 17 6.841 -13.932 7.317 1.00 0.00 O -ATOM 253 CB VAL A 17 7.926 -11.727 5.127 1.00 0.00 C -ATOM 254 CG1 VAL A 17 7.747 -11.059 6.516 1.00 0.00 C -ATOM 255 CG2 VAL A 17 9.239 -11.273 4.500 1.00 0.00 C -ATOM 256 H VAL A 17 7.842 -13.391 3.159 1.00 0.00 H -ATOM 257 HA VAL A 17 8.797 -13.523 5.843 1.00 0.00 H -ATOM 258 HB VAL A 17 7.096 -11.425 4.488 1.00 0.00 H -ATOM 259 1HG1 VAL A 17 7.759 -9.975 6.403 1.00 0.00 H -ATOM 260 2HG1 VAL A 17 6.795 -11.368 6.948 1.00 0.00 H -ATOM 261 3HG1 VAL A 17 8.561 -11.363 7.173 1.00 0.00 H -ATOM 262 1HG2 VAL A 17 9.238 -10.188 4.400 1.00 0.00 H -ATOM 263 2HG2 VAL A 17 10.071 -11.578 5.135 1.00 0.00 H -ATOM 264 3HG2 VAL A 17 9.349 -11.728 3.515 1.00 0.00 H -ATOM 265 N PHE A 18 5.547 -13.895 5.494 1.00 50.00 N -ATOM 266 CA PHE A 18 4.350 -14.342 6.184 1.00 50.00 C -ATOM 267 C PHE A 18 4.554 -15.716 6.824 1.00 50.00 C -ATOM 268 O PHE A 18 4.102 -15.981 7.941 1.00 50.00 O -ATOM 269 CB PHE A 18 3.179 -14.357 5.189 1.00 50.00 C -ATOM 270 CG PHE A 18 1.832 -14.538 5.846 1.00 50.00 C -ATOM 271 CD1 PHE A 18 1.288 -13.523 6.641 1.00 50.00 C -ATOM 272 CD2 PHE A 18 1.131 -15.678 5.673 1.00 50.00 C -ATOM 273 CE1 PHE A 18 0.046 -13.679 7.239 1.00 50.00 C -ATOM 274 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 50.00 C -ATOM 275 CZ PHE A 18 -0.654 -14.852 7.073 1.00 50.00 C -ATOM 276 H PHE A 18 5.505 -13.720 4.500 1.00 50.00 H -ATOM 277 HA PHE A 18 4.132 -13.640 6.990 1.00 50.00 H -ATOM 278 1HB PHE A 18 3.165 -13.422 4.630 1.00 50.00 H -ATOM 279 2HB PHE A 18 3.322 -15.164 4.472 1.00 50.00 H -ATOM 280 HD1 PHE A 18 1.852 -12.601 6.787 1.00 50.00 H -ATOM 281 HD2 PHE A 18 1.551 -16.467 5.048 1.00 50.00 H -ATOM 282 HE1 PHE A 18 -0.374 -12.872 7.839 1.00 50.00 H -ATOM 283 HE2 PHE A 18 -0.669 -16.782 6.121 1.00 50.00 H -ATOM 284 HZ PHE A 18 -1.617 -14.988 7.564 1.00 50.00 H -ATOM 285 N ILE A 19 5.212 -16.618 6.086 1.00 50.00 N -ATOM 286 CA ILE A 19 5.544 -17.929 6.571 1.00 50.00 C -ATOM 287 C ILE A 19 6.464 -17.848 7.802 1.00 50.00 C -ATOM 288 O ILE A 19 6.225 -18.507 8.841 1.00 50.00 O -ATOM 289 CB ILE A 19 6.217 -18.758 5.476 1.00 50.00 C -ATOM 290 CG1 ILE A 19 5.181 -19.136 4.418 1.00 50.00 C -ATOM 291 CG2 ILE A 19 6.806 -20.033 6.059 1.00 50.00 C -ATOM 292 CD1 ILE A 19 5.758 -19.919 3.252 1.00 50.00 C -ATOM 293 H ILE A 19 5.483 -16.357 5.149 1.00 50.00 H -ATOM 294 HA ILE A 19 4.624 -18.431 6.868 1.00 50.00 H -ATOM 295 HB ILE A 19 7.017 -18.176 5.019 1.00 50.00 H -ATOM 296 1HG1 ILE A 19 4.394 -19.734 4.877 1.00 50.00 H -ATOM 297 2HG1 ILE A 19 4.716 -18.232 4.025 1.00 50.00 H -ATOM 298 1HG2 ILE A 19 7.280 -20.611 5.266 1.00 50.00 H -ATOM 299 2HG2 ILE A 19 7.548 -19.778 6.815 1.00 50.00 H -ATOM 300 3HG2 ILE A 19 6.012 -20.625 6.514 1.00 50.00 H -ATOM 301 1HD1 ILE A 19 4.964 -20.151 2.541 1.00 50.00 H -ATOM 302 2HD1 ILE A 19 6.525 -19.322 2.757 1.00 50.00 H -ATOM 303 3HD1 ILE A 19 6.198 -20.845 3.618 1.00 50.00 H -ATOM 304 N ALA A 20 7.508 -17.028 7.686 1.00 50.00 N -ATOM 305 CA ALA A 20 8.426 -16.808 8.776 1.00 50.00 C -ATOM 306 C ALA A 20 7.645 -16.316 10.020 1.00 50.00 C -ATOM 307 O ALA A 20 7.957 -16.708 11.164 1.00 50.00 O -ATOM 308 CB ALA A 20 9.462 -15.783 8.380 1.00 50.00 C -ATOM 309 H ALA A 20 7.660 -16.548 6.810 1.00 50.00 H -ATOM 310 HA ALA A 20 8.925 -17.752 8.995 1.00 50.00 H -ATOM 311 1HB ALA A 20 10.151 -15.623 9.209 1.00 50.00 H -ATOM 312 2HB ALA A 20 10.016 -16.142 7.512 1.00 50.00 H -ATOM 313 3HB ALA A 20 8.969 -14.844 8.133 1.00 50.00 H -ATOM 314 N MET A 21 6.672 -15.416 9.793 1.00 0.00 N -ATOM 315 CA MET A 21 5.883 -14.867 10.851 1.00 0.00 C -ATOM 316 C MET A 21 5.046 -15.971 11.500 1.00 0.00 C -ATOM 317 O MET A 21 4.845 -15.966 12.720 1.00 0.00 O -ATOM 318 CB MET A 21 5.007 -13.716 10.331 1.00 0.00 C -ATOM 319 CG MET A 21 5.776 -12.503 9.876 1.00 0.00 C -ATOM 320 SD MET A 21 4.774 -11.168 9.186 1.00 0.00 S -ATOM 321 CE MET A 21 4.075 -10.549 10.726 1.00 0.00 C -ATOM 322 H MET A 21 6.496 -15.121 8.843 1.00 0.00 H -ATOM 323 HA MET A 21 6.554 -14.475 11.615 1.00 0.00 H -ATOM 324 1HB MET A 21 4.408 -14.066 9.491 1.00 0.00 H -ATOM 325 2HB MET A 21 4.318 -13.400 11.115 1.00 0.00 H -ATOM 326 1HG MET A 21 6.329 -12.086 10.717 1.00 0.00 H -ATOM 327 2HG MET A 21 6.493 -12.794 9.108 1.00 0.00 H -ATOM 328 1HE MET A 21 3.415 -9.707 10.514 1.00 0.00 H -ATOM 329 2HE MET A 21 3.507 -11.343 11.213 1.00 0.00 H -ATOM 330 3HE MET A 21 4.880 -10.222 11.385 1.00 0.00 H -ATOM 331 N GLN A 22 4.561 -16.943 10.715 1.00 50.00 N -ATOM 332 CA GLN A 22 3.739 -18.045 11.321 1.00 50.00 C -ATOM 333 C GLN A 22 4.582 -19.015 12.171 1.00 50.00 C -ATOM 334 O GLN A 22 4.099 -19.581 13.116 1.00 50.00 O -ATOM 335 CB GLN A 22 2.933 -18.872 10.292 1.00 50.00 C -ATOM 336 CG GLN A 22 2.064 -18.085 9.301 1.00 50.00 C -ATOM 337 CD GLN A 22 1.343 -16.878 9.919 1.00 50.00 C -ATOM 338 OE1 GLN A 22 0.490 -17.054 10.783 1.00 50.00 O -ATOM 339 NE2 GLN A 22 1.701 -15.655 9.487 1.00 50.00 N -ATOM 340 H GLN A 22 4.737 -16.950 9.720 1.00 50.00 H -ATOM 341 HA GLN A 22 3.016 -17.601 12.005 1.00 50.00 H -ATOM 342 1HB GLN A 22 3.616 -19.476 9.695 1.00 50.00 H -ATOM 343 2HB GLN A 22 2.266 -19.555 10.817 1.00 50.00 H -ATOM 344 1HG GLN A 22 2.697 -17.710 8.497 1.00 50.00 H -ATOM 345 2HG GLN A 22 1.300 -18.749 8.896 1.00 50.00 H -ATOM 346 1HE2 GLN A 22 1.256 -14.841 9.863 1.00 50.00 H -ATOM 347 2HE2 GLN A 22 2.411 -15.559 8.790 1.00 50.00 H -ATOM 348 N ILE A 23 5.837 -19.231 11.786 1.00 50.00 N -ATOM 349 CA ILE A 23 6.727 -20.147 12.471 1.00 50.00 C -ATOM 350 C ILE A 23 7.273 -19.488 13.731 1.00 50.00 C -ATOM 351 O ILE A 23 7.214 -20.029 14.814 1.00 50.00 O -ATOM 352 CB ILE A 23 7.929 -20.507 11.554 1.00 50.00 C -ATOM 353 CG1 ILE A 23 7.452 -21.279 10.302 1.00 50.00 C -ATOM 354 CG2 ILE A 23 8.981 -21.309 12.309 1.00 50.00 C -ATOM 355 CD1 ILE A 23 8.500 -21.324 9.200 1.00 50.00 C -ATOM 356 H ILE A 23 6.175 -18.728 10.978 1.00 50.00 H -ATOM 357 HA ILE A 23 6.175 -21.057 12.702 1.00 50.00 H -ATOM 358 HB ILE A 23 8.391 -19.592 11.184 1.00 50.00 H -ATOM 359 1HG1 ILE A 23 7.193 -22.300 10.581 1.00 50.00 H -ATOM 360 2HG1 ILE A 23 6.550 -20.810 9.907 1.00 50.00 H -ATOM 361 1HG2 ILE A 23 9.808 -21.545 11.640 1.00 50.00 H -ATOM 362 2HG2 ILE A 23 9.351 -20.723 13.149 1.00 50.00 H -ATOM 363 3HG2 ILE A 23 8.538 -22.234 12.679 1.00 50.00 H -ATOM 364 1HD1 ILE A 23 8.108 -21.878 8.347 1.00 50.00 H -ATOM 365 2HD1 ILE A 23 8.746 -20.308 8.890 1.00 50.00 H -ATOM 366 3HD1 ILE A 23 9.397 -21.818 9.571 1.00 50.00 H -ATOM 367 N LEU A 24 7.835 -18.292 13.557 1.00 50.00 N -ATOM 368 CA LEU A 24 8.558 -17.568 14.597 1.00 50.00 C -ATOM 369 C LEU A 24 7.656 -16.649 15.474 1.00 50.00 C -ATOM 370 O LEU A 24 8.068 -16.215 16.574 1.00 50.00 O -ATOM 371 CB LEU A 24 9.602 -16.716 13.910 1.00 50.00 C -ATOM 372 CG LEU A 24 10.718 -17.421 13.133 1.00 50.00 C -ATOM 373 CD1 LEU A 24 11.684 -16.390 12.536 1.00 50.00 C -ATOM 374 CD2 LEU A 24 11.447 -18.418 14.045 1.00 50.00 C -ATOM 375 H LEU A 24 7.744 -17.877 12.641 1.00 50.00 H -ATOM 376 HA LEU A 24 9.038 -18.293 15.253 1.00 50.00 H -ATOM 377 1HB LEU A 24 9.102 -16.060 13.200 1.00 50.00 H -ATOM 378 2HB LEU A 24 10.095 -16.097 14.660 1.00 50.00 H -ATOM 379 HG LEU A 24 10.289 -17.958 12.287 1.00 50.00 H -ATOM 380 1HD1 LEU A 24 12.472 -16.905 11.986 1.00 50.00 H -ATOM 381 2HD1 LEU A 24 11.140 -15.732 11.858 1.00 50.00 H -ATOM 382 3HD1 LEU A 24 12.127 -15.800 13.338 1.00 50.00 H -ATOM 383 1HD2 LEU A 24 12.238 -18.915 13.482 1.00 50.00 H -ATOM 384 2HD2 LEU A 24 11.882 -17.886 14.891 1.00 50.00 H -ATOM 385 3HD2 LEU A 24 10.739 -19.162 14.410 1.00 50.00 H -ATOM 386 N GLY A 25 6.447 -16.338 14.966 1.00 0.00 N -ATOM 387 CA GLY A 25 5.558 -15.380 15.585 1.00 0.00 C -ATOM 388 C GLY A 25 5.837 -14.013 14.985 1.00 0.00 C -ATOM 389 O GLY A 25 6.937 -13.702 14.529 1.00 0.00 O -ATOM 390 H GLY A 25 6.158 -16.799 14.115 1.00 0.00 H -ATOM 391 1HA GLY A 25 4.524 -15.681 15.416 1.00 0.00 H -ATOM 392 2HA GLY A 25 5.719 -15.377 16.662 1.00 0.00 H -ATOM 393 N ASP A 26 4.798 -13.191 14.924 1.00 50.00 N -ATOM 394 CA ASP A 26 4.897 -11.830 14.382 1.00 50.00 C -ATOM 395 C ASP A 26 5.984 -10.949 15.009 1.00 50.00 C -ATOM 396 O ASP A 26 6.703 -10.238 14.312 1.00 50.00 O -ATOM 397 CB ASP A 26 3.566 -11.120 14.566 1.00 50.00 C -ATOM 398 CG ASP A 26 2.440 -11.720 13.703 1.00 50.00 C -ATOM 399 OD1 ASP A 26 2.682 -12.690 12.905 1.00 50.00 O -ATOM 400 OD2 ASP A 26 1.296 -11.230 13.883 1.00 50.00 O -ATOM 401 H ASP A 26 3.907 -13.521 15.266 1.00 50.00 H -ATOM 402 HA ASP A 26 5.124 -11.897 13.318 1.00 50.00 H -ATOM 403 1HB ASP A 26 3.267 -11.172 15.613 1.00 50.00 H -ATOM 404 2HB ASP A 26 3.677 -10.066 14.309 1.00 50.00 H -ATOM 405 N GLN A 27 6.107 -11.006 16.338 1.00 0.00 N -ATOM 406 CA GLN A 27 6.937 -10.027 17.036 1.00 0.00 C -ATOM 407 C GLN A 27 8.457 -10.307 16.841 1.00 0.00 C -ATOM 408 O GLN A 27 9.260 -9.381 16.815 1.00 0.00 O -ATOM 409 CB GLN A 27 6.497 -9.760 18.507 1.00 0.00 C -ATOM 410 CG GLN A 27 5.760 -10.828 19.332 1.00 0.00 C -ATOM 411 CD GLN A 27 4.538 -11.482 18.682 1.00 0.00 C -ATOM 412 OE1 GLN A 27 4.547 -12.668 18.437 1.00 0.00 O -ATOM 413 NE2 GLN A 27 3.489 -10.710 18.418 1.00 0.00 N -ATOM 414 H GLN A 27 5.633 -11.719 16.873 1.00 0.00 H -ATOM 415 HA GLN A 27 6.870 -9.077 16.507 1.00 0.00 H -ATOM 416 1HB GLN A 27 7.372 -9.518 19.110 1.00 0.00 H -ATOM 417 2HB GLN A 27 5.831 -8.898 18.537 1.00 0.00 H -ATOM 418 1HG GLN A 27 6.452 -11.640 19.557 1.00 0.00 H -ATOM 419 2HG GLN A 27 5.402 -10.375 20.257 1.00 0.00 H -ATOM 420 1HE2 GLN A 27 2.672 -11.103 17.993 1.00 0.00 H -ATOM 421 2HE2 GLN A 27 3.515 -9.736 18.643 1.00 0.00 H -ATOM 422 N GLU A 28 8.826 -11.582 16.664 1.00 0.00 N -ATOM 423 CA GLU A 28 10.207 -11.959 16.296 1.00 0.00 C -ATOM 424 C GLU A 28 10.562 -11.432 14.918 1.00 0.00 C -ATOM 425 O GLU A 28 11.666 -10.995 14.714 1.00 0.00 O -ATOM 426 CB GLU A 28 10.376 -13.468 16.305 1.00 0.00 C -ATOM 427 CG GLU A 28 11.761 -13.954 15.918 1.00 0.00 C -ATOM 428 CD GLU A 28 12.847 -13.427 16.817 1.00 0.00 C -ATOM 429 OE1 GLU A 28 12.612 -13.190 18.014 1.00 0.00 O -ATOM 430 OE2 GLU A 28 13.952 -13.251 16.321 1.00 0.00 O -ATOM 431 H GLU A 28 8.134 -12.308 16.787 1.00 0.00 H -ATOM 432 HA GLU A 28 10.890 -11.531 17.030 1.00 0.00 H -ATOM 433 1HB GLU A 28 10.156 -13.853 17.301 1.00 0.00 H -ATOM 434 2HB GLU A 28 9.662 -13.918 15.615 1.00 0.00 H -ATOM 435 1HG GLU A 28 11.776 -15.043 15.954 1.00 0.00 H -ATOM 436 2HG GLU A 28 11.968 -13.649 14.893 1.00 0.00 H -ATOM 437 N VAL A 29 9.613 -11.450 13.981 1.00 50.00 N -ATOM 438 CA VAL A 29 9.848 -10.919 12.653 1.00 50.00 C -ATOM 439 C VAL A 29 9.861 -9.382 12.648 1.00 50.00 C -ATOM 440 O VAL A 29 10.734 -8.782 12.016 1.00 50.00 O -ATOM 441 CB VAL A 29 8.932 -11.495 11.548 1.00 50.00 C -ATOM 442 CG1 VAL A 29 9.294 -10.909 10.168 1.00 50.00 C -ATOM 443 CG2 VAL A 29 9.083 -13.019 11.461 1.00 50.00 C -ATOM 444 H VAL A 29 8.709 -11.843 14.201 1.00 50.00 H -ATOM 445 HA VAL A 29 10.871 -11.158 12.361 1.00 50.00 H -ATOM 446 HB VAL A 29 7.896 -11.251 11.784 1.00 50.00 H -ATOM 447 1HG1 VAL A 29 8.634 -11.331 9.409 1.00 50.00 H -ATOM 448 2HG1 VAL A 29 9.175 -9.826 10.190 1.00 50.00 H -ATOM 449 3HG1 VAL A 29 10.328 -11.157 9.927 1.00 50.00 H -ATOM 450 1HG2 VAL A 29 8.430 -13.405 10.679 1.00 50.00 H -ATOM 451 2HG2 VAL A 29 10.118 -13.269 11.227 1.00 50.00 H -ATOM 452 3HG2 VAL A 29 8.808 -13.467 12.416 1.00 50.00 H -ATOM 453 N MET A 30 8.914 -8.740 13.331 1.00 50.00 N -ATOM 454 CA MET A 30 9.000 -7.279 13.596 1.00 50.00 C -ATOM 455 C MET A 30 10.413 -6.868 14.095 1.00 50.00 C -ATOM 456 O MET A 30 11.002 -5.861 13.607 1.00 50.00 O -ATOM 457 CB MET A 30 7.963 -6.840 14.630 1.00 50.00 C -ATOM 458 CG MET A 30 6.452 -7.035 14.253 1.00 50.00 C -ATOM 459 SD MET A 30 5.757 -5.469 13.759 1.00 50.00 S -ATOM 460 CE MET A 30 6.421 -5.522 12.146 1.00 50.00 C -ATOM 461 H MET A 30 8.118 -9.257 13.677 1.00 50.00 H -ATOM 462 HA MET A 30 8.801 -6.747 12.666 1.00 50.00 H -ATOM 463 1HB MET A 30 8.122 -7.386 15.559 1.00 50.00 H -ATOM 464 2HB MET A 30 8.092 -5.779 14.848 1.00 50.00 H -ATOM 465 1HG MET A 30 6.370 -7.755 13.439 1.00 50.00 H -ATOM 466 2HG MET A 30 5.911 -7.430 15.112 1.00 50.00 H -ATOM 467 1HE MET A 30 6.126 -4.625 11.601 1.00 50.00 H -ATOM 468 2HE MET A 30 7.509 -5.572 12.202 1.00 50.00 H -ATOM 469 3HE MET A 30 6.044 -6.403 11.626 1.00 50.00 H -ATOM 470 N LEU A 31 10.986 -7.646 15.026 1.00 0.00 N -ATOM 471 CA LEU A 31 12.338 -7.346 15.540 1.00 0.00 C -ATOM 472 C LEU A 31 13.356 -7.112 14.449 1.00 0.00 C -ATOM 473 O LEU A 31 14.234 -6.256 14.575 1.00 0.00 O -ATOM 474 CB LEU A 31 12.917 -8.454 16.374 1.00 0.00 C -ATOM 475 CG LEU A 31 12.514 -8.626 17.811 1.00 0.00 C -ATOM 476 CD1 LEU A 31 13.618 -9.467 18.425 1.00 0.00 C -ATOM 477 CD2 LEU A 31 12.357 -7.313 18.555 1.00 0.00 C -ATOM 478 H LEU A 31 10.491 -8.450 15.384 1.00 0.00 H -ATOM 479 HA LEU A 31 12.279 -6.462 16.174 1.00 0.00 H -ATOM 480 1HB LEU A 31 12.681 -9.405 15.900 1.00 0.00 H -ATOM 481 2HB LEU A 31 14.001 -8.342 16.397 1.00 0.00 H -ATOM 482 HG LEU A 31 11.557 -9.146 17.861 1.00 0.00 H -ATOM 483 1HD1 LEU A 31 13.400 -9.640 19.479 1.00 0.00 H -ATOM 484 2HD1 LEU A 31 13.678 -10.424 17.906 1.00 0.00 H -ATOM 485 3HD1 LEU A 31 14.569 -8.943 18.333 1.00 0.00 H -ATOM 486 1HD2 LEU A 31 12.064 -7.512 19.586 1.00 0.00 H -ATOM 487 2HD2 LEU A 31 13.304 -6.773 18.544 1.00 0.00 H -ATOM 488 3HD2 LEU A 31 11.590 -6.709 18.070 1.00 0.00 H -ATOM 489 N TRP A 32 13.257 -7.888 13.378 1.00 50.00 N -ATOM 490 CA TRP A 32 14.201 -7.790 12.271 1.00 50.00 C -ATOM 491 C TRP A 32 13.813 -6.764 11.241 1.00 50.00 C -ATOM 492 O TRP A 32 14.679 -6.084 10.708 1.00 50.00 O -ATOM 493 CB TRP A 32 14.432 -9.175 11.616 1.00 50.00 C -ATOM 494 CG TRP A 32 15.448 -9.972 12.409 1.00 50.00 C -ATOM 495 CD1 TRP A 32 15.271 -10.505 13.658 1.00 50.00 C -ATOM 496 CD2 TRP A 32 16.808 -10.251 12.046 1.00 50.00 C -ATOM 497 NE1 TRP A 32 16.422 -11.115 14.082 1.00 50.00 N -ATOM 498 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.00 C -ATOM 499 CE3 TRP A 32 17.593 -9.978 10.912 1.00 50.00 C -ATOM 500 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 50.00 C -ATOM 501 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 50.00 C -ATOM 502 CH2 TRP A 32 19.453 -11.179 11.964 1.00 50.00 C -ATOM 503 H TRP A 32 12.508 -8.564 13.328 1.00 50.00 H -ATOM 504 HA TRP A 32 15.153 -7.430 12.660 1.00 50.00 H -ATOM 505 1HB TRP A 32 13.488 -9.718 11.570 1.00 50.00 H -ATOM 506 2HB TRP A 32 14.782 -9.040 10.593 1.00 50.00 H -ATOM 507 HD1 TRP A 32 14.348 -10.452 14.233 1.00 50.00 H -ATOM 508 HE1 TRP A 32 16.547 -11.587 14.966 1.00 50.00 H -ATOM 509 HE3 TRP A 32 17.183 -9.415 10.074 1.00 50.00 H -ATOM 510 HZ2 TRP A 32 19.145 -12.017 13.907 1.00 50.00 H -ATOM 511 HZ3 TRP A 32 19.517 -10.234 9.998 1.00 50.00 H -ATOM 512 HH2 TRP A 32 20.483 -11.531 11.906 1.00 50.00 H -ATOM 513 N LEU A 33 12.512 -6.673 10.934 1.00 50.00 N -ATOM 514 CA LEU A 33 12.063 -5.938 9.742 1.00 50.00 C -ATOM 515 C LEU A 33 11.275 -4.670 10.005 1.00 50.00 C -ATOM 516 O LEU A 33 10.924 -3.982 9.072 1.00 50.00 O -ATOM 517 CB LEU A 33 11.231 -6.839 8.872 1.00 50.00 C -ATOM 518 CG LEU A 33 11.916 -8.085 8.312 1.00 50.00 C -ATOM 519 CD1 LEU A 33 10.908 -8.844 7.464 1.00 50.00 C -ATOM 520 CD2 LEU A 33 13.125 -7.732 7.475 1.00 50.00 C -ATOM 521 H LEU A 33 11.824 -7.115 11.528 1.00 50.00 H -ATOM 522 HA LEU A 33 12.941 -5.617 9.183 1.00 50.00 H -ATOM 523 1HB LEU A 33 10.370 -7.178 9.446 1.00 50.00 H -ATOM 524 2HB LEU A 33 10.869 -6.263 8.020 1.00 50.00 H -ATOM 525 HG LEU A 33 12.243 -8.721 9.135 1.00 50.00 H -ATOM 526 1HD1 LEU A 33 11.377 -9.738 7.054 1.00 50.00 H -ATOM 527 2HD1 LEU A 33 10.057 -9.132 8.081 1.00 50.00 H -ATOM 528 3HD1 LEU A 33 10.567 -8.208 6.648 1.00 50.00 H -ATOM 529 1HD2 LEU A 33 13.584 -8.645 7.096 1.00 50.00 H -ATOM 530 2HD2 LEU A 33 12.817 -7.106 6.637 1.00 50.00 H -ATOM 531 3HD2 LEU A 33 13.846 -7.190 8.087 1.00 50.00 H -ATOM 532 N ALA A 34 10.906 -4.409 11.260 1.00 50.00 N -ATOM 533 CA ALA A 34 10.055 -3.265 11.556 1.00 50.00 C -ATOM 534 C ALA A 34 10.862 -1.972 11.393 1.00 50.00 C -ATOM 535 O ALA A 34 12.083 -1.976 11.509 1.00 50.00 O -ATOM 536 CB ALA A 34 9.464 -3.343 12.948 1.00 50.00 C -ATOM 537 H ALA A 34 11.213 -5.002 12.017 1.00 50.00 H -ATOM 538 HA ALA A 34 9.234 -3.259 10.839 1.00 50.00 H -ATOM 539 1HB ALA A 34 8.836 -2.470 13.126 1.00 50.00 H -ATOM 540 2HB ALA A 34 8.862 -4.247 13.037 1.00 50.00 H -ATOM 541 3HB ALA A 34 10.267 -3.368 13.683 1.00 50.00 H -ATOM 542 N TRP A 35 10.156 -0.892 11.096 1.00 50.00 N -ATOM 543 CA TRP A 35 10.694 0.461 11.257 1.00 50.00 C -ATOM 544 C TRP A 35 11.473 0.591 12.564 1.00 50.00 C -ATOM 545 O TRP A 35 11.039 0.084 13.588 1.00 50.00 O -ATOM 546 CB TRP A 35 9.519 1.450 11.258 1.00 50.00 C -ATOM 547 CG TRP A 35 9.953 2.908 11.118 1.00 50.00 C -ATOM 548 CD1 TRP A 35 10.380 3.720 12.118 1.00 50.00 C -ATOM 549 CD2 TRP A 35 9.968 3.687 9.933 1.00 50.00 C -ATOM 550 NE1 TRP A 35 10.630 4.943 11.637 1.00 50.00 N -ATOM 551 CE2 TRP A 35 10.425 4.946 10.283 1.00 50.00 C -ATOM 552 CE3 TRP A 35 9.657 3.426 8.584 1.00 50.00 C -ATOM 553 CZ2 TRP A 35 10.568 5.988 9.346 1.00 50.00 C -ATOM 554 CZ3 TRP A 35 9.806 4.467 7.640 1.00 50.00 C -ATOM 555 CH2 TRP A 35 10.231 5.726 8.041 1.00 50.00 C -ATOM 556 H TRP A 35 9.215 -1.009 10.747 1.00 50.00 H -ATOM 557 HA TRP A 35 11.352 0.674 10.415 1.00 50.00 H -ATOM 558 1HB TRP A 35 8.842 1.212 10.437 1.00 50.00 H -ATOM 559 2HB TRP A 35 8.957 1.346 12.186 1.00 50.00 H -ATOM 560 HD1 TRP A 35 10.500 3.418 13.157 1.00 50.00 H -ATOM 561 HE1 TRP A 35 10.923 5.741 12.182 1.00 50.00 H -ATOM 562 HE3 TRP A 35 9.311 2.440 8.275 1.00 50.00 H -ATOM 563 HZ2 TRP A 35 10.934 6.975 9.629 1.00 50.00 H -ATOM 564 HZ3 TRP A 35 9.581 4.262 6.593 1.00 50.00 H -ATOM 565 HH2 TRP A 35 10.297 6.524 7.301 1.00 50.00 H -ATOM 566 N PRO A 36 12.630 1.294 12.607 1.00 50.00 N -ATOM 567 CA PRO A 36 13.447 1.310 13.820 1.00 50.00 C -ATOM 568 C PRO A 36 12.641 1.730 15.018 1.00 50.00 C -ATOM 569 O PRO A 36 12.042 2.794 15.025 1.00 50.00 O -ATOM 570 CB PRO A 36 14.522 2.319 13.504 1.00 50.00 C -ATOM 571 CG PRO A 36 14.582 2.345 12.018 1.00 50.00 C -ATOM 572 CD PRO A 36 13.223 2.064 11.507 1.00 50.00 C -ATOM 573 HA PRO A 36 13.882 0.312 13.976 1.00 50.00 H -ATOM 574 1HB PRO A 36 14.259 3.296 13.935 1.00 50.00 H -ATOM 575 2HB PRO A 36 15.474 2.011 13.962 1.00 50.00 H -ATOM 576 1HG PRO A 36 14.939 3.325 11.669 1.00 50.00 H -ATOM 577 2HG PRO A 36 15.302 1.597 11.654 1.00 50.00 H -ATOM 578 1HD PRO A 36 12.693 3.012 11.333 1.00 50.00 H -ATOM 579 2HD PRO A 36 13.294 1.482 10.576 1.00 50.00 H -ATOM 580 N PHE A 37 12.627 0.877 16.039 1.00 0.00 N -ATOM 581 CA PHE A 37 11.837 1.134 17.237 1.00 0.00 C -ATOM 582 C PHE A 37 12.760 1.481 18.373 1.00 0.00 C -ATOM 583 O PHE A 37 12.327 1.709 19.470 1.00 0.00 O -ATOM 584 CB PHE A 37 10.942 -0.076 17.581 1.00 0.00 C -ATOM 585 CG PHE A 37 11.636 -1.389 17.461 1.00 0.00 C -ATOM 586 CD1 PHE A 37 12.377 -1.886 18.514 1.00 0.00 C -ATOM 587 CD2 PHE A 37 11.578 -2.110 16.295 1.00 0.00 C -ATOM 588 CE1 PHE A 37 13.028 -3.091 18.409 1.00 0.00 C -ATOM 589 CE2 PHE A 37 12.272 -3.313 16.164 1.00 0.00 C -ATOM 590 CZ PHE A 37 12.975 -3.807 17.225 1.00 0.00 C -ATOM 591 H PHE A 37 13.176 0.031 15.984 1.00 0.00 H -ATOM 592 HA PHE A 37 11.194 1.995 17.049 1.00 0.00 H -ATOM 593 1HB PHE A 37 10.574 0.022 18.601 1.00 0.00 H -ATOM 594 2HB PHE A 37 10.076 -0.087 16.921 1.00 0.00 H -ATOM 595 HD1 PHE A 37 12.442 -1.311 19.438 1.00 0.00 H -ATOM 596 HD2 PHE A 37 11.015 -1.711 15.450 1.00 0.00 H -ATOM 597 HE1 PHE A 37 13.586 -3.484 19.258 1.00 0.00 H -ATOM 598 HE2 PHE A 37 12.256 -3.858 15.220 1.00 0.00 H -ATOM 599 HZ PHE A 37 13.494 -4.761 17.140 1.00 0.00 H -ATOM 600 N ASP A 38 14.051 1.563 18.077 1.00 0.00 N -ATOM 601 CA ASP A 38 15.077 1.974 19.034 1.00 0.00 C -ATOM 602 C ASP A 38 16.108 2.803 18.274 1.00 0.00 C -ATOM 603 O ASP A 38 16.409 2.475 17.125 1.00 0.00 O -ATOM 604 CB ASP A 38 15.754 0.733 19.594 1.00 0.00 C -ATOM 605 CG ASP A 38 16.512 1.021 20.857 1.00 0.00 C -ATOM 606 OD1 ASP A 38 15.880 1.546 21.791 1.00 0.00 O -ATOM 607 OD2 ASP A 38 17.730 0.757 20.916 1.00 0.00 O -ATOM 608 H ASP A 38 14.325 1.325 17.134 1.00 0.00 H -ATOM 609 HA ASP A 38 14.595 2.521 19.845 1.00 0.00 H -ATOM 610 1HB ASP A 38 15.003 -0.031 19.797 1.00 0.00 H -ATOM 611 2HB ASP A 38 16.442 0.327 18.852 1.00 0.00 H -ATOM 612 N PRO A 39 16.726 3.847 18.887 1.00 0.00 N -ATOM 613 CA PRO A 39 17.758 4.638 18.197 1.00 0.00 C -ATOM 614 C PRO A 39 18.915 3.817 17.670 1.00 0.00 C -ATOM 615 O PRO A 39 19.467 4.133 16.618 1.00 0.00 O -ATOM 616 CB PRO A 39 18.292 5.580 19.280 1.00 0.00 C -ATOM 617 CG PRO A 39 17.288 5.549 20.376 1.00 0.00 C -ATOM 618 CD PRO A 39 16.472 4.307 20.268 1.00 0.00 C -ATOM 619 HA PRO A 39 17.290 5.212 17.384 1.00 0.00 H -ATOM 620 1HB PRO A 39 19.282 5.241 19.618 1.00 0.00 H -ATOM 621 2HB PRO A 39 18.422 6.592 18.868 1.00 0.00 H -ATOM 622 1HG PRO A 39 17.791 5.586 21.353 1.00 0.00 H -ATOM 623 2HG PRO A 39 16.637 6.434 20.320 1.00 0.00 H -ATOM 624 1HD PRO A 39 16.822 3.572 21.008 1.00 0.00 H -ATOM 625 2HD PRO A 39 15.412 4.549 20.432 1.00 0.00 H -ATOM 626 N THR A 40 19.278 2.752 18.386 1.00 0.00 N -ATOM 627 CA THR A 40 20.338 1.899 17.939 1.00 0.00 C -ATOM 628 C THR A 40 20.046 1.185 16.597 1.00 0.00 C -ATOM 629 O THR A 40 20.952 0.586 16.025 1.00 0.00 O -ATOM 630 CB THR A 40 20.679 0.868 19.003 1.00 0.00 C -ATOM 631 OG1 THR A 40 19.525 0.082 19.253 1.00 0.00 O -ATOM 632 CG2 THR A 40 21.074 1.516 20.310 1.00 0.00 C -ATOM 633 H THR A 40 18.806 2.538 19.253 1.00 0.00 H -ATOM 634 HA THR A 40 21.220 2.512 17.753 1.00 0.00 H -ATOM 635 HB THR A 40 21.509 0.251 18.659 1.00 0.00 H -ATOM 636 HG1 THR A 40 18.805 0.385 18.694 1.00 0.00 H -ATOM 637 1HG2 THR A 40 21.310 0.744 21.042 1.00 0.00 H -ATOM 638 2HG2 THR A 40 21.948 2.147 20.153 1.00 0.00 H -ATOM 639 3HG2 THR A 40 20.249 2.124 20.678 1.00 0.00 H -ATOM 640 N LEU A 41 18.794 1.230 16.111 1.00 0.00 N -ATOM 641 CA LEU A 41 18.411 0.545 14.873 1.00 0.00 C -ATOM 642 C LEU A 41 18.336 1.508 13.689 1.00 0.00 C -ATOM 643 O LEU A 41 18.029 1.107 12.562 1.00 0.00 O -ATOM 644 CB LEU A 41 17.076 -0.217 15.045 1.00 0.00 C -ATOM 645 CG LEU A 41 16.985 -1.146 16.310 1.00 0.00 C -ATOM 646 CD1 LEU A 41 15.662 -1.879 16.450 1.00 0.00 C -ATOM 647 CD2 LEU A 41 18.115 -2.163 16.345 1.00 0.00 C -ATOM 648 H LEU A 41 18.096 1.755 16.619 1.00 0.00 H -ATOM 649 HA LEU A 41 19.187 -0.177 14.623 1.00 0.00 H -ATOM 650 1HB LEU A 41 16.267 0.509 15.106 1.00 0.00 H -ATOM 651 2HB LEU A 41 16.914 -0.837 14.164 1.00 0.00 H -ATOM 652 HG LEU A 41 17.044 -0.538 17.213 1.00 0.00 H -ATOM 653 1HD1 LEU A 41 15.682 -2.497 17.348 1.00 0.00 H -ATOM 654 2HD1 LEU A 41 14.851 -1.155 16.527 1.00 0.00 H -ATOM 655 3HD1 LEU A 41 15.503 -2.511 15.577 1.00 0.00 H -ATOM 656 1HD2 LEU A 41 18.017 -2.786 17.235 1.00 0.00 H -ATOM 657 2HD2 LEU A 41 18.067 -2.791 15.455 1.00 0.00 H -ATOM 658 3HD2 LEU A 41 19.072 -1.642 16.370 1.00 0.00 H -ATOM 659 N LYS A 42 18.626 2.787 13.960 1.00 50.00 N -ATOM 660 CA LYS A 42 18.438 3.849 13.005 1.00 50.00 C -ATOM 661 C LYS A 42 19.288 3.624 11.752 1.00 50.00 C -ATOM 662 O LYS A 42 18.875 4.014 10.650 1.00 50.00 O -ATOM 663 CB LYS A 42 18.728 5.195 13.671 1.00 50.00 C -ATOM 664 CG LYS A 42 20.198 5.448 14.021 1.00 50.00 C -ATOM 665 CD LYS A 42 20.372 6.572 15.062 1.00 50.00 C -ATOM 666 CE LYS A 42 21.612 6.373 15.930 1.00 50.00 C -ATOM 667 NZ LYS A 42 21.441 7.014 17.278 1.00 50.00 N -ATOM 668 H LYS A 42 18.992 3.007 14.875 1.00 50.00 H -ATOM 669 HA LYS A 42 17.400 3.833 12.670 1.00 50.00 H -ATOM 670 1HB LYS A 42 18.405 6.003 13.014 1.00 50.00 H -ATOM 671 2HB LYS A 42 18.154 5.275 14.595 1.00 50.00 H -ATOM 672 1HG LYS A 42 20.639 4.535 14.424 1.00 50.00 H -ATOM 673 2HG LYS A 42 20.744 5.727 13.120 1.00 50.00 H -ATOM 674 1HD LYS A 42 20.458 7.532 14.551 1.00 50.00 H -ATOM 675 2HD LYS A 42 19.498 6.604 15.712 1.00 50.00 H -ATOM 676 1HE LYS A 42 21.797 5.308 16.061 1.00 50.00 H -ATOM 677 2HE LYS A 42 22.478 6.811 15.433 1.00 50.00 H -ATOM 678 1HZ LYS A 42 22.275 6.867 17.829 1.00 50.00 H -ATOM 679 2HZ LYS A 42 21.284 8.006 17.163 1.00 50.00 H -ATOM 680 3HZ LYS A 42 20.649 6.601 17.750 1.00 50.00 H -ATOM 681 N PHE A 43 20.441 2.951 11.906 1.00 50.00 N -ATOM 682 CA PHE A 43 21.322 2.685 10.759 1.00 50.00 C -ATOM 683 C PHE A 43 20.991 1.450 9.887 1.00 50.00 C -ATOM 684 O PHE A 43 21.537 1.300 8.780 1.00 50.00 O -ATOM 685 CB PHE A 43 22.765 2.668 11.234 1.00 50.00 C -ATOM 686 CG PHE A 43 23.179 3.926 11.967 1.00 50.00 C -ATOM 687 CD1 PHE A 43 23.285 5.135 11.286 1.00 50.00 C -ATOM 688 CD2 PHE A 43 23.480 3.895 13.325 1.00 50.00 C -ATOM 689 CE1 PHE A 43 23.682 6.295 11.934 1.00 50.00 C -ATOM 690 CE2 PHE A 43 23.893 5.052 13.987 1.00 50.00 C -ATOM 691 CZ PHE A 43 23.982 6.260 13.291 1.00 50.00 C -ATOM 692 H PHE A 43 20.712 2.621 12.821 1.00 50.00 H -ATOM 693 HA PHE A 43 21.192 3.486 10.030 1.00 50.00 H -ATOM 694 1HB PHE A 43 22.919 1.819 11.899 1.00 50.00 H -ATOM 695 2HB PHE A 43 23.428 2.538 10.379 1.00 50.00 H -ATOM 696 HD1 PHE A 43 23.050 5.169 10.222 1.00 50.00 H -ATOM 697 HD2 PHE A 43 23.411 2.952 13.868 1.00 50.00 H -ATOM 698 HE1 PHE A 43 23.758 7.230 11.379 1.00 50.00 H -ATOM 699 HE2 PHE A 43 24.147 5.014 15.046 1.00 50.00 H -ATOM 700 HZ PHE A 43 24.286 7.170 13.807 1.00 50.00 H -ATOM 701 N GLU A 44 20.045 0.627 10.359 1.00 50.00 N -ATOM 702 CA GLU A 44 19.618 -0.596 9.682 1.00 50.00 C -ATOM 703 C GLU A 44 18.623 -0.206 8.582 1.00 50.00 C -ATOM 704 O GLU A 44 17.383 -0.284 8.758 1.00 50.00 O -ATOM 705 CB GLU A 44 19.066 -1.574 10.719 1.00 50.00 C -ATOM 706 CG GLU A 44 20.166 -2.044 11.659 1.00 50.00 C -ATOM 707 CD GLU A 44 19.742 -3.024 12.758 1.00 50.00 C -ATOM 708 OE1 GLU A 44 18.582 -3.479 12.850 1.00 50.00 O -ATOM 709 OE2 GLU A 44 20.606 -3.344 13.600 1.00 50.00 O -ATOM 710 H GLU A 44 19.612 0.881 11.235 1.00 50.00 H -ATOM 711 HA GLU A 44 20.485 -1.041 9.192 1.00 50.00 H -ATOM 712 1HB GLU A 44 18.275 -1.089 11.291 1.00 50.00 H -ATOM 713 2HB GLU A 44 18.624 -2.432 10.211 1.00 50.00 H -ATOM 714 1HG GLU A 44 20.944 -2.534 11.075 1.00 50.00 H -ATOM 715 2HG GLU A 44 20.608 -1.176 12.146 1.00 50.00 H -ATOM 716 N PHE A 45 19.208 0.153 7.425 1.00 50.00 N -ATOM 717 CA PHE A 45 18.572 0.864 6.300 1.00 50.00 C -ATOM 718 C PHE A 45 17.313 0.215 5.765 1.00 50.00 C -ATOM 719 O PHE A 45 16.364 0.901 5.374 1.00 50.00 O -ATOM 720 CB PHE A 45 19.584 1.142 5.127 1.00 50.00 C -ATOM 721 CG PHE A 45 20.207 -0.109 4.496 1.00 50.00 C -ATOM 722 CD1 PHE A 45 21.341 -0.704 5.047 1.00 50.00 C -ATOM 723 CD2 PHE A 45 19.671 -0.670 3.333 1.00 50.00 C -ATOM 724 CE1 PHE A 45 21.906 -1.834 4.470 1.00 50.00 C -ATOM 725 CE2 PHE A 45 20.233 -1.801 2.765 1.00 50.00 C -ATOM 726 CZ PHE A 45 21.353 -2.380 3.330 1.00 50.00 C -ATOM 727 H PHE A 45 20.181 -0.107 7.355 1.00 50.00 H -ATOM 728 HA PHE A 45 18.206 1.826 6.661 1.00 50.00 H -ATOM 729 1HB PHE A 45 19.079 1.692 4.334 1.00 50.00 H -ATOM 730 2HB PHE A 45 20.399 1.766 5.490 1.00 50.00 H -ATOM 731 HD1 PHE A 45 21.786 -0.273 5.944 1.00 50.00 H -ATOM 732 HD2 PHE A 45 18.787 -0.216 2.883 1.00 50.00 H -ATOM 733 HE1 PHE A 45 22.788 -2.291 4.918 1.00 50.00 H -ATOM 734 HE2 PHE A 45 19.790 -2.234 1.869 1.00 50.00 H -ATOM 735 HZ PHE A 45 21.799 -3.264 2.876 1.00 50.00 H -ATOM 736 N TRP A 46 17.327 -1.119 5.733 1.00 50.00 N -ATOM 737 CA TRP A 46 16.227 -1.921 5.203 1.00 50.00 C -ATOM 738 C TRP A 46 14.900 -1.646 5.941 1.00 50.00 C -ATOM 739 O TRP A 46 13.861 -1.686 5.340 1.00 50.00 O -ATOM 740 CB TRP A 46 16.585 -3.400 5.253 1.00 50.00 C -ATOM 741 CG TRP A 46 16.706 -3.980 6.624 1.00 50.00 C -ATOM 742 CD1 TRP A 46 15.699 -4.504 7.362 1.00 50.00 C -ATOM 743 CD2 TRP A 46 17.901 -4.169 7.391 1.00 50.00 C -ATOM 744 NE1 TRP A 46 16.180 -4.950 8.572 1.00 50.00 N -ATOM 745 CE2 TRP A 46 17.534 -4.767 8.603 1.00 50.00 C -ATOM 746 CE3 TRP A 46 19.263 -3.885 7.166 1.00 50.00 C -ATOM 747 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 50.00 C -ATOM 748 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 50.00 C -ATOM 749 CH2 TRP A 46 19.770 -4.781 9.369 1.00 50.00 C -ATOM 750 H TRP A 46 18.145 -1.586 6.097 1.00 50.00 H -ATOM 751 HA TRP A 46 16.059 -1.635 4.165 1.00 50.00 H -ATOM 752 1HB TRP A 46 15.828 -3.976 4.721 1.00 50.00 H -ATOM 753 2HB TRP A 46 17.536 -3.562 4.745 1.00 50.00 H -ATOM 754 HD1 TRP A 46 14.660 -4.564 7.044 1.00 50.00 H -ATOM 755 HE1 TRP A 46 15.624 -5.347 9.316 1.00 50.00 H -ATOM 756 HE3 TRP A 46 19.592 -3.448 6.224 1.00 50.00 H -ATOM 757 HZ2 TRP A 46 18.166 -5.567 10.536 1.00 50.00 H -ATOM 758 HZ3 TRP A 46 21.228 -3.925 8.007 1.00 50.00 H -ATOM 759 HH2 TRP A 46 20.517 -5.008 10.130 1.00 50.00 H -ATOM 760 N ARG A 47 14.966 -1.399 7.256 1.00 50.00 N -ATOM 761 CA ARG A 47 13.775 -1.165 8.088 1.00 50.00 C -ATOM 762 C ARG A 47 12.816 -0.088 7.550 1.00 50.00 C -ATOM 763 O ARG A 47 11.620 -0.119 7.838 1.00 50.00 O -ATOM 764 CB ARG A 47 14.195 -0.786 9.496 1.00 50.00 C -ATOM 765 CG ARG A 47 14.911 -1.928 10.162 1.00 50.00 C -ATOM 766 CD ARG A 47 15.320 -1.562 11.546 1.00 50.00 C -ATOM 767 NE ARG A 47 15.974 -2.657 12.233 1.00 50.00 N -ATOM 768 CZ ARG A 47 15.356 -3.632 12.912 1.00 50.00 C -ATOM 769 NH1 ARG A 47 14.035 -3.660 13.052 1.00 50.00 N -ATOM 770 NH2 ARG A 47 16.072 -4.565 13.519 1.00 50.00 N -ATOM 771 H ARG A 47 15.879 -1.374 7.686 1.00 50.00 H -ATOM 772 HA ARG A 47 13.194 -2.087 8.128 1.00 50.00 H -ATOM 773 1HB ARG A 47 14.846 0.086 9.459 1.00 50.00 H -ATOM 774 2HB ARG A 47 13.314 -0.513 10.077 1.00 50.00 H -ATOM 775 1HG ARG A 47 14.250 -2.794 10.209 1.00 50.00 H -ATOM 776 2HG ARG A 47 15.803 -2.183 9.588 1.00 50.00 H -ATOM 777 1HD ARG A 47 16.015 -0.723 11.510 1.00 50.00 H -ATOM 778 2HD ARG A 47 14.440 -1.280 12.123 1.00 50.00 H -ATOM 779 HE ARG A 47 16.984 -2.695 12.202 1.00 50.00 H -ATOM 780 1HH1 ARG A 47 13.468 -2.932 12.640 1.00 50.00 H -ATOM 781 2HH1 ARG A 47 13.598 -4.409 13.570 1.00 50.00 H -ATOM 782 1HH2 ARG A 47 17.081 -4.540 13.469 1.00 50.00 H -ATOM 783 2HH2 ARG A 47 15.610 -5.301 14.032 1.00 50.00 H -ATOM 784 N TYR A 48 13.343 0.873 6.776 1.00 50.00 N -ATOM 785 CA TYR A 48 12.534 1.999 6.333 1.00 50.00 C -ATOM 786 C TYR A 48 11.625 1.551 5.216 1.00 50.00 C -ATOM 787 O TYR A 48 10.669 2.252 4.859 1.00 50.00 O -ATOM 788 CB TYR A 48 13.446 3.210 5.933 1.00 50.00 C -ATOM 789 CG TYR A 48 14.274 3.728 7.097 1.00 50.00 C -ATOM 790 CD1 TYR A 48 13.675 4.446 8.125 1.00 50.00 C -ATOM 791 CD2 TYR A 48 15.646 3.529 7.177 1.00 50.00 C -ATOM 792 CE1 TYR A 48 14.391 4.927 9.197 1.00 50.00 C -ATOM 793 CE2 TYR A 48 16.370 4.013 8.256 1.00 50.00 C -ATOM 794 CZ TYR A 48 15.736 4.699 9.264 1.00 50.00 C -ATOM 795 OH TYR A 48 16.451 5.205 10.351 1.00 50.00 O -ATOM 796 H TYR A 48 14.311 0.822 6.493 1.00 50.00 H -ATOM 797 HA TYR A 48 11.889 2.307 7.156 1.00 50.00 H -ATOM 798 1HB TYR A 48 14.119 2.909 5.129 1.00 50.00 H -ATOM 799 2HB TYR A 48 12.827 4.022 5.554 1.00 50.00 H -ATOM 800 HD1 TYR A 48 12.603 4.645 8.099 1.00 50.00 H -ATOM 801 HD2 TYR A 48 16.165 2.988 6.386 1.00 50.00 H -ATOM 802 HE1 TYR A 48 13.885 5.486 9.984 1.00 50.00 H -ATOM 803 HE2 TYR A 48 17.447 3.851 8.307 1.00 50.00 H -ATOM 804 HH TYR A 48 17.381 4.991 10.249 1.00 50.00 H -ATOM 805 N PHE A 49 11.896 0.343 4.715 1.00 50.00 N -ATOM 806 CA PHE A 49 11.135 -0.311 3.640 1.00 50.00 C -ATOM 807 C PHE A 49 10.460 -1.649 4.021 1.00 50.00 C -ATOM 808 O PHE A 49 9.340 -1.924 3.600 1.00 50.00 O -ATOM 809 CB PHE A 49 12.059 -0.523 2.419 1.00 50.00 C -ATOM 810 CG PHE A 49 12.760 0.760 1.998 1.00 50.00 C -ATOM 811 CD1 PHE A 49 12.161 1.633 1.105 1.00 50.00 C -ATOM 812 CD2 PHE A 49 13.946 1.108 2.554 1.00 50.00 C -ATOM 813 CE1 PHE A 49 12.759 2.827 0.752 1.00 50.00 C -ATOM 814 CE2 PHE A 49 14.561 2.283 2.220 1.00 50.00 C -ATOM 815 CZ PHE A 49 13.979 3.136 1.306 1.00 50.00 C -ATOM 816 H PHE A 49 12.687 -0.137 5.120 1.00 50.00 H -ATOM 817 HA PHE A 49 10.307 0.341 3.356 1.00 50.00 H -ATOM 818 1HB PHE A 49 12.809 -1.276 2.657 1.00 50.00 H -ATOM 819 2HB PHE A 49 11.474 -0.899 1.581 1.00 50.00 H -ATOM 820 HD1 PHE A 49 11.195 1.372 0.672 1.00 50.00 H -ATOM 821 HD2 PHE A 49 14.410 0.436 3.277 1.00 50.00 H -ATOM 822 HE1 PHE A 49 12.263 3.497 0.050 1.00 50.00 H -ATOM 823 HE2 PHE A 49 15.515 2.544 2.678 1.00 50.00 H -ATOM 824 HZ PHE A 49 14.490 4.055 1.023 1.00 50.00 H -ATOM 825 N THR A 50 11.132 -2.454 4.835 1.00 50.00 N -ATOM 826 CA THR A 50 10.706 -3.817 5.021 1.00 50.00 C -ATOM 827 C THR A 50 9.472 -3.996 5.952 1.00 50.00 C -ATOM 828 O THR A 50 8.894 -5.071 5.971 1.00 50.00 O -ATOM 829 CB THR A 50 11.825 -4.683 5.550 1.00 50.00 C -ATOM 830 OG1 THR A 50 12.318 -4.100 6.747 1.00 50.00 O -ATOM 831 CG2 THR A 50 12.941 -4.883 4.467 1.00 50.00 C -ATOM 832 H THR A 50 11.946 -2.121 5.331 1.00 50.00 H -ATOM 833 HA THR A 50 10.396 -4.217 4.055 1.00 50.00 H -ATOM 834 HB THR A 50 11.428 -5.658 5.833 1.00 50.00 H -ATOM 835 HG1 THR A 50 11.827 -3.297 6.937 1.00 50.00 H -ATOM 836 1HG2 THR A 50 13.734 -5.510 4.873 1.00 50.00 H -ATOM 837 2HG2 THR A 50 12.513 -5.363 3.588 1.00 50.00 H -ATOM 838 3HG2 THR A 50 13.353 -3.915 4.186 1.00 50.00 H -ATOM 839 N HIS A 51 9.049 -2.926 6.651 1.00 0.00 N -ATOM 840 CA HIS A 51 7.741 -2.870 7.294 1.00 0.00 C -ATOM 841 C HIS A 51 6.588 -3.247 6.285 1.00 0.00 C -ATOM 842 O HIS A 51 5.570 -3.901 6.646 1.00 0.00 O -ATOM 843 CB HIS A 51 7.504 -1.498 7.935 1.00 0.00 C -ATOM 844 CG HIS A 51 7.517 -0.368 6.944 1.00 0.00 C -ATOM 845 ND1 HIS A 51 6.424 -0.058 6.161 1.00 0.00 N -ATOM 846 CD2 HIS A 51 8.527 0.451 6.542 1.00 0.00 C -ATOM 847 CE1 HIS A 51 6.751 0.937 5.347 1.00 0.00 C -ATOM 848 NE2 HIS A 51 8.020 1.270 5.563 1.00 0.00 N -ATOM 849 H HIS A 51 9.670 -2.133 6.729 1.00 0.00 H -ATOM 850 HA HIS A 51 7.690 -3.621 8.082 1.00 0.00 H -ATOM 851 1HB HIS A 51 6.541 -1.497 8.447 1.00 0.00 H -ATOM 852 2HB HIS A 51 8.273 -1.309 8.684 1.00 0.00 H -ATOM 853 HD2 HIS A 51 9.541 0.473 6.943 1.00 0.00 H -ATOM 854 HE1 HIS A 51 6.091 1.408 4.619 1.00 0.00 H -ATOM 855 HE2 HIS A 51 8.528 2.003 5.088 1.00 0.00 H -ATOM 856 N ALA A 52 6.782 -2.920 5.009 1.00 50.00 N -ATOM 857 CA ALA A 52 5.792 -3.225 3.980 1.00 50.00 C -ATOM 858 C ALA A 52 5.590 -4.714 3.606 1.00 50.00 C -ATOM 859 O ALA A 52 4.541 -5.065 3.031 1.00 50.00 O -ATOM 860 CB ALA A 52 6.049 -2.411 2.723 1.00 50.00 C -ATOM 861 H ALA A 52 7.636 -2.449 4.746 1.00 50.00 H -ATOM 862 HA ALA A 52 4.808 -2.964 4.369 1.00 50.00 H -ATOM 863 1HB ALA A 52 5.299 -2.656 1.971 1.00 50.00 H -ATOM 864 2HB ALA A 52 5.992 -1.348 2.960 1.00 50.00 H -ATOM 865 3HB ALA A 52 7.040 -2.644 2.336 1.00 50.00 H -ATOM 866 N LEU A 53 6.529 -5.558 4.020 1.00 50.00 N -ATOM 867 CA LEU A 53 6.582 -7.007 3.685 1.00 50.00 C -ATOM 868 C LEU A 53 5.914 -7.919 4.703 1.00 50.00 C -ATOM 869 O LEU A 53 5.790 -9.103 4.459 1.00 50.00 O -ATOM 870 CB LEU A 53 8.027 -7.472 3.539 1.00 50.00 C -ATOM 871 CG LEU A 53 8.813 -6.760 2.419 1.00 50.00 C -ATOM 872 CD1 LEU A 53 10.205 -7.351 2.326 1.00 50.00 C -ATOM 873 CD2 LEU A 53 8.133 -6.877 1.051 1.00 50.00 C -ATOM 874 H LEU A 53 7.250 -5.162 4.605 1.00 50.00 H -ATOM 875 HA LEU A 53 6.070 -7.161 2.736 1.00 50.00 H -ATOM 876 1HB LEU A 53 8.543 -7.303 4.483 1.00 50.00 H -ATOM 877 2HB LEU A 53 8.029 -8.543 3.334 1.00 50.00 H -ATOM 878 HG LEU A 53 8.904 -5.700 2.656 1.00 50.00 H -ATOM 879 1HD1 LEU A 53 10.762 -6.848 1.535 1.00 50.00 H -ATOM 880 2HD1 LEU A 53 10.723 -7.214 3.276 1.00 50.00 H -ATOM 881 3HD1 LEU A 53 10.134 -8.414 2.100 1.00 50.00 H -ATOM 882 1HD2 LEU A 53 8.731 -6.357 0.302 1.00 50.00 H -ATOM 883 2HD2 LEU A 53 8.044 -7.929 0.778 1.00 50.00 H -ATOM 884 3HD2 LEU A 53 7.140 -6.429 1.099 1.00 50.00 H -ATOM 885 N MET A 54 5.496 -7.350 5.850 1.00 50.00 N -ATOM 886 CA MET A 54 4.912 -8.104 6.959 1.00 50.00 C -ATOM 887 C MET A 54 3.380 -7.945 6.943 1.00 50.00 C -ATOM 888 O MET A 54 2.852 -6.845 6.774 1.00 50.00 O -ATOM 889 CB MET A 54 5.435 -7.523 8.256 1.00 50.00 C -ATOM 890 CG MET A 54 6.837 -7.941 8.549 1.00 50.00 C -ATOM 891 SD MET A 54 7.442 -7.388 10.143 1.00 50.00 S -ATOM 892 CE MET A 54 7.632 -5.641 9.703 1.00 50.00 C -ATOM 893 H MET A 54 5.597 -6.349 5.935 1.00 50.00 H -ATOM 894 HA MET A 54 5.223 -9.145 6.871 1.00 50.00 H -ATOM 895 1HB MET A 54 5.396 -6.436 8.209 1.00 50.00 H -ATOM 896 2HB MET A 54 4.795 -7.839 9.081 1.00 50.00 H -ATOM 897 1HG MET A 54 6.905 -9.028 8.526 1.00 50.00 H -ATOM 898 2HG MET A 54 7.503 -7.542 7.784 1.00 50.00 H -ATOM 899 1HE MET A 54 8.007 -5.087 10.564 1.00 50.00 H -ATOM 900 2HE MET A 54 8.337 -5.548 8.876 1.00 50.00 H -ATOM 901 3HE MET A 54 6.666 -5.234 9.403 1.00 50.00 H -ATOM 902 N HIS A 55 2.666 -9.061 7.105 1.00 0.00 N -ATOM 903 CA HIS A 55 1.254 -9.038 7.304 1.00 0.00 C -ATOM 904 C HIS A 55 0.831 -9.784 8.557 1.00 0.00 C -ATOM 905 O HIS A 55 1.398 -10.773 8.900 1.00 0.00 O -ATOM 906 CB HIS A 55 0.535 -9.569 6.072 1.00 0.00 C -ATOM 907 CG HIS A 55 0.784 -8.753 4.859 1.00 0.00 C -ATOM 908 ND1 HIS A 55 1.853 -8.987 4.009 1.00 0.00 N -ATOM 909 CD2 HIS A 55 0.139 -7.670 4.372 1.00 0.00 C -ATOM 910 CE1 HIS A 55 1.832 -8.100 3.037 1.00 0.00 C -ATOM 911 NE2 HIS A 55 0.810 -7.282 3.234 1.00 0.00 N -ATOM 912 H HIS A 55 3.146 -9.950 7.085 1.00 0.00 H -ATOM 913 HA HIS A 55 0.927 -8.012 7.472 1.00 0.00 H -ATOM 914 1HB HIS A 55 0.857 -10.592 5.875 1.00 0.00 H -ATOM 915 2HB HIS A 55 -0.538 -9.594 6.260 1.00 0.00 H -ATOM 916 HD2 HIS A 55 -0.745 -7.194 4.796 1.00 0.00 H -ATOM 917 HE1 HIS A 55 2.537 -8.046 2.208 1.00 0.00 H -ATOM 918 HE2 HIS A 55 0.558 -6.499 2.648 1.00 0.00 H -ATOM 919 N PHE A 56 -0.227 -9.292 9.206 1.00 50.00 N -ATOM 920 CA PHE A 56 -0.711 -9.842 10.479 1.00 50.00 C -ATOM 921 C PHE A 56 -1.897 -10.718 10.371 1.00 50.00 C -ATOM 922 O PHE A 56 -2.249 -11.358 11.320 1.00 50.00 O -ATOM 923 CB PHE A 56 -1.002 -8.694 11.442 1.00 50.00 C -ATOM 924 CG PHE A 56 0.162 -7.772 11.593 1.00 50.00 C -ATOM 925 CD1 PHE A 56 1.375 -8.261 12.121 1.00 50.00 C -ATOM 926 CD2 PHE A 56 0.082 -6.442 11.221 1.00 50.00 C -ATOM 927 CE1 PHE A 56 2.491 -7.431 12.241 1.00 50.00 C -ATOM 928 CE2 PHE A 56 1.194 -5.596 11.362 1.00 50.00 C -ATOM 929 CZ PHE A 56 2.407 -6.103 11.840 1.00 50.00 C -ATOM 930 H PHE A 56 -0.710 -8.506 8.795 1.00 50.00 H -ATOM 931 HA PHE A 56 0.069 -10.477 10.901 1.00 50.00 H -ATOM 932 1HB PHE A 56 -1.859 -8.126 11.082 1.00 50.00 H -ATOM 933 2HB PHE A 56 -1.264 -9.097 12.420 1.00 50.00 H -ATOM 934 HD1 PHE A 56 1.436 -9.303 12.438 1.00 50.00 H -ATOM 935 HD2 PHE A 56 -0.862 -6.043 10.848 1.00 50.00 H -ATOM 936 HE1 PHE A 56 3.422 -7.826 12.647 1.00 50.00 H -ATOM 937 HE2 PHE A 56 1.111 -4.542 11.099 1.00 50.00 H -ATOM 938 HZ PHE A 56 3.283 -5.458 11.899 1.00 50.00 H -ATOM 939 N SER A 57 -2.510 -10.759 9.197 1.00 50.00 N -ATOM 940 CA SER A 57 -3.650 -11.577 8.950 1.00 50.00 C -ATOM 941 C SER A 57 -3.662 -12.062 7.482 1.00 50.00 C -ATOM 942 O SER A 57 -3.208 -11.379 6.569 1.00 50.00 O -ATOM 943 CB SER A 57 -4.950 -10.814 9.280 1.00 50.00 C -ATOM 944 OG SER A 57 -5.333 -9.979 8.196 1.00 50.00 O -ATOM 945 H SER A 57 -2.147 -10.183 8.451 1.00 50.00 H -ATOM 946 HA SER A 57 -3.591 -12.456 9.593 1.00 50.00 H -ATOM 947 1HB SER A 57 -5.746 -11.527 9.495 1.00 50.00 H -ATOM 948 2HB SER A 57 -4.801 -10.211 10.175 1.00 50.00 H -ATOM 949 HG SER A 57 -4.667 -10.106 7.516 1.00 50.00 H -ATOM 950 N LEU A 58 -4.222 -13.261 7.313 1.00 50.00 N -ATOM 951 CA LEU A 58 -4.440 -13.937 6.075 1.00 50.00 C -ATOM 952 C LEU A 58 -5.305 -13.120 5.123 1.00 50.00 C -ATOM 953 O LEU A 58 -5.037 -13.004 3.919 1.00 50.00 O -ATOM 954 CB LEU A 58 -5.157 -15.251 6.424 1.00 50.00 C -ATOM 955 CG LEU A 58 -5.603 -16.081 5.255 1.00 50.00 C -ATOM 956 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 50.00 C -ATOM 957 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 50.00 C -ATOM 958 H LEU A 58 -4.509 -13.706 8.173 1.00 50.00 H -ATOM 959 HA LEU A 58 -3.473 -14.137 5.615 1.00 50.00 H -ATOM 960 1HB LEU A 58 -4.488 -15.862 7.027 1.00 50.00 H -ATOM 961 2HB LEU A 58 -6.039 -15.018 7.020 1.00 50.00 H -ATOM 962 HG LEU A 58 -6.367 -15.541 4.695 1.00 50.00 H -ATOM 963 1HD1 LEU A 58 -4.666 -16.883 3.494 1.00 50.00 H -ATOM 964 2HD1 LEU A 58 -4.016 -15.314 4.023 1.00 50.00 H -ATOM 965 3HD1 LEU A 58 -3.603 -16.796 4.918 1.00 50.00 H -ATOM 966 1HD2 LEU A 58 -6.508 -18.009 4.906 1.00 50.00 H -ATOM 967 2HD2 LEU A 58 -5.421 -17.952 6.315 1.00 50.00 H -ATOM 968 3HD2 LEU A 58 -7.037 -17.211 6.407 1.00 50.00 H -ATOM 969 N MET A 59 -6.373 -12.548 5.675 1.00 50.00 N -ATOM 970 CA MET A 59 -7.308 -11.761 4.880 1.00 50.00 C -ATOM 971 C MET A 59 -6.560 -10.569 4.225 1.00 50.00 C -ATOM 972 O MET A 59 -6.691 -10.363 3.019 1.00 50.00 O -ATOM 973 CB MET A 59 -8.523 -11.430 5.759 1.00 50.00 C -ATOM 974 CG MET A 59 -9.218 -10.121 5.496 1.00 50.00 C -ATOM 975 SD MET A 59 -11.005 -10.356 5.575 1.00 50.00 S -ATOM 976 CE MET A 59 -11.425 -8.654 5.217 1.00 50.00 C -ATOM 977 H MET A 59 -6.541 -12.660 6.665 1.00 50.00 H -ATOM 978 HA MET A 59 -7.624 -12.359 4.025 1.00 50.00 H -ATOM 979 1HB MET A 59 -9.276 -12.209 5.646 1.00 50.00 H -ATOM 980 2HB MET A 59 -8.221 -11.416 6.807 1.00 50.00 H -ATOM 981 1HG MET A 59 -8.905 -9.388 6.239 1.00 50.00 H -ATOM 982 2HG MET A 59 -8.935 -9.750 4.511 1.00 50.00 H -ATOM 983 1HE MET A 59 -12.509 -8.540 5.210 1.00 50.00 H -ATOM 984 2HE MET A 59 -10.996 -8.005 5.981 1.00 50.00 H -ATOM 985 3HE MET A 59 -11.025 -8.378 4.241 1.00 50.00 H -ATOM 986 N HIS A 60 -5.695 -9.889 4.997 1.00 50.00 N -ATOM 987 CA HIS A 60 -4.974 -8.715 4.526 1.00 50.00 C -ATOM 988 C HIS A 60 -3.843 -9.014 3.529 1.00 50.00 C -ATOM 989 O HIS A 60 -3.701 -8.288 2.529 1.00 50.00 O -ATOM 990 CB HIS A 60 -4.508 -7.895 5.711 1.00 50.00 C -ATOM 991 CG HIS A 60 -5.634 -7.181 6.391 1.00 50.00 C -ATOM 992 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 50.00 N -ATOM 993 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.00 C -ATOM 994 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 50.00 C -ATOM 995 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 50.00 N -ATOM 996 H HIS A 60 -5.545 -10.212 5.942 1.00 50.00 H -ATOM 997 HA HIS A 60 -5.637 -8.100 3.918 1.00 50.00 H -ATOM 998 1HB HIS A 60 -4.016 -8.547 6.434 1.00 50.00 H -ATOM 999 2HB HIS A 60 -3.774 -7.161 5.379 1.00 50.00 H -ATOM 1000 HD2 HIS A 60 -7.461 -7.798 5.376 1.00 50.00 H -ATOM 1001 HE1 HIS A 60 -6.808 -5.108 8.608 1.00 50.00 H -ATOM 1002 HE2 HIS A 60 -8.559 -6.188 7.104 1.00 50.00 H -ATOM 1003 N ILE A 61 -3.091 -10.099 3.751 1.00 50.00 N -ATOM 1004 CA ILE A 61 -2.113 -10.496 2.771 1.00 50.00 C -ATOM 1005 C ILE A 61 -2.781 -10.809 1.441 1.00 50.00 C -ATOM 1006 O ILE A 61 -2.318 -10.388 0.390 1.00 50.00 O -ATOM 1007 CB ILE A 61 -1.111 -11.537 3.263 1.00 50.00 C -ATOM 1008 CG1 ILE A 61 0.061 -11.627 2.257 1.00 50.00 C -ATOM 1009 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 50.00 C -ATOM 1010 CD1 ILE A 61 1.176 -12.566 2.673 1.00 50.00 C -ATOM 1011 H ILE A 61 -3.194 -10.647 4.593 1.00 50.00 H -ATOM 1012 HA ILE A 61 -1.536 -9.618 2.483 1.00 50.00 H -ATOM 1013 HB ILE A 61 -0.683 -11.211 4.210 1.00 50.00 H -ATOM 1014 1HG1 ILE A 61 -0.314 -11.961 1.290 1.00 50.00 H -ATOM 1015 2HG1 ILE A 61 0.495 -10.637 2.114 1.00 50.00 H -ATOM 1016 1HG2 ILE A 61 -0.982 -13.589 3.830 1.00 50.00 H -ATOM 1017 2HG2 ILE A 61 -2.528 -12.805 4.227 1.00 50.00 H -ATOM 1018 3HG2 ILE A 61 -2.163 -13.247 2.543 1.00 50.00 H -ATOM 1019 1HD1 ILE A 61 1.955 -12.567 1.910 1.00 50.00 H -ATOM 1020 2HD1 ILE A 61 1.598 -12.233 3.622 1.00 50.00 H -ATOM 1021 3HD1 ILE A 61 0.779 -13.574 2.786 1.00 50.00 H -ATOM 1022 N LEU A 62 -3.914 -11.488 1.482 1.00 50.00 N -ATOM 1023 CA LEU A 62 -4.606 -11.907 0.265 1.00 50.00 C -ATOM 1024 C LEU A 62 -5.147 -10.730 -0.501 1.00 50.00 C -ATOM 1025 O LEU A 62 -4.910 -10.610 -1.683 1.00 50.00 O -ATOM 1026 CB LEU A 62 -5.701 -12.923 0.561 1.00 50.00 C -ATOM 1027 CG LEU A 62 -5.189 -14.344 0.883 1.00 50.00 C -ATOM 1028 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 50.00 C -ATOM 1029 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 50.00 C -ATOM 1030 H LEU A 62 -4.312 -11.723 2.380 1.00 50.00 H -ATOM 1031 HA LEU A 62 -3.882 -12.376 -0.401 1.00 50.00 H -ATOM 1032 1HB LEU A 62 -6.283 -12.569 1.410 1.00 50.00 H -ATOM 1033 2HB LEU A 62 -6.361 -12.985 -0.304 1.00 50.00 H -ATOM 1034 HG LEU A 62 -4.365 -14.281 1.594 1.00 50.00 H -ATOM 1035 1HD1 LEU A 62 -5.878 -16.186 1.776 1.00 50.00 H -ATOM 1036 2HD1 LEU A 62 -6.575 -14.716 2.497 1.00 50.00 H -ATOM 1037 3HD1 LEU A 62 -7.135 -15.278 0.904 1.00 50.00 H -ATOM 1038 1HD2 LEU A 62 -4.339 -16.046 -0.116 1.00 50.00 H -ATOM 1039 2HD2 LEU A 62 -5.510 -15.128 -1.092 1.00 50.00 H -ATOM 1040 3HD2 LEU A 62 -3.878 -14.475 -0.815 1.00 50.00 H -ATOM 1041 N PHE A 63 -5.844 -9.823 0.181 1.00 50.00 N -ATOM 1042 CA PHE A 63 -6.359 -8.625 -0.503 1.00 50.00 C -ATOM 1043 C PHE A 63 -5.232 -7.716 -0.996 1.00 50.00 C -ATOM 1044 O PHE A 63 -5.305 -7.258 -2.126 1.00 50.00 O -ATOM 1045 CB PHE A 63 -7.398 -7.870 0.332 1.00 50.00 C -ATOM 1046 CG PHE A 63 -8.748 -8.516 0.249 1.00 50.00 C -ATOM 1047 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 50.00 C -ATOM 1048 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 50.00 C -ATOM 1049 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 50.00 C -ATOM 1050 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 50.00 C -ATOM 1051 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 50.00 C -ATOM 1052 H PHE A 63 -6.027 -9.943 1.167 1.00 50.00 H -ATOM 1053 HA PHE A 63 -6.844 -8.937 -1.429 1.00 50.00 H -ATOM 1054 1HB PHE A 63 -7.076 -7.840 1.372 1.00 50.00 H -ATOM 1055 2HB PHE A 63 -7.468 -6.841 -0.019 1.00 50.00 H -ATOM 1056 HD1 PHE A 63 -9.066 -7.894 -1.792 1.00 50.00 H -ATOM 1057 HD2 PHE A 63 -8.703 -9.363 2.222 1.00 50.00 H -ATOM 1058 HE1 PHE A 63 -11.237 -9.033 -2.032 1.00 50.00 H -ATOM 1059 HE2 PHE A 63 -10.880 -10.513 1.964 1.00 50.00 H -ATOM 1060 HZ PHE A 63 -12.137 -10.360 -0.144 1.00 50.00 H -ATOM 1061 N ASN A 64 -4.226 -7.450 -0.147 1.00 50.00 N -ATOM 1062 CA ASN A 64 -3.081 -6.582 -0.482 1.00 50.00 C -ATOM 1063 C ASN A 64 -2.413 -7.178 -1.754 1.00 50.00 C -ATOM 1064 O ASN A 64 -2.132 -6.484 -2.718 1.00 50.00 O -ATOM 1065 CB ASN A 64 -2.056 -6.410 0.690 1.00 50.00 C -ATOM 1066 CG ASN A 64 -2.585 -5.576 1.867 1.00 50.00 C -ATOM 1067 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 50.00 O -ATOM 1068 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 50.00 N -ATOM 1069 H ASN A 64 -4.270 -7.875 0.768 1.00 50.00 H -ATOM 1070 HA ASN A 64 -3.460 -5.588 -0.724 1.00 50.00 H -ATOM 1071 1HB ASN A 64 -1.772 -7.391 1.072 1.00 50.00 H -ATOM 1072 2HB ASN A 64 -1.152 -5.930 0.315 1.00 50.00 H -ATOM 1073 1HD2 ASN A 64 -4.168 -4.414 2.267 1.00 50.00 H -ATOM 1074 2HD2 ASN A 64 -4.133 -5.112 0.682 1.00 50.00 H -ATOM 1075 N LEU A 65 -2.201 -8.490 -1.782 1.00 50.00 N -ATOM 1076 CA LEU A 65 -1.495 -9.075 -2.901 1.00 50.00 C -ATOM 1077 C LEU A 65 -2.323 -9.128 -4.148 1.00 50.00 C -ATOM 1078 O LEU A 65 -1.755 -9.107 -5.242 1.00 50.00 O -ATOM 1079 CB LEU A 65 -0.840 -10.395 -2.562 1.00 50.00 C -ATOM 1080 CG LEU A 65 0.385 -10.374 -1.655 1.00 50.00 C -ATOM 1081 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 50.00 C -ATOM 1082 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 50.00 C -ATOM 1083 H LEU A 65 -2.523 -9.090 -1.036 1.00 50.00 H -ATOM 1084 HA LEU A 65 -0.706 -8.389 -3.209 1.00 50.00 H -ATOM 1085 1HB LEU A 65 -1.575 -11.032 -2.073 1.00 50.00 H -ATOM 1086 2HB LEU A 65 -0.530 -10.878 -3.489 1.00 50.00 H -ATOM 1087 HG LEU A 65 0.090 -10.063 -0.652 1.00 50.00 H -ATOM 1088 1HD1 LEU A 65 1.901 -11.665 -0.878 1.00 50.00 H -ATOM 1089 2HD1 LEU A 65 0.317 -12.441 -1.116 1.00 50.00 H -ATOM 1090 3HD1 LEU A 65 1.349 -12.074 -2.519 1.00 50.00 H -ATOM 1091 1HD2 LEU A 65 2.306 -9.504 -1.375 1.00 50.00 H -ATOM 1092 2HD2 LEU A 65 1.834 -9.734 -3.075 1.00 50.00 H -ATOM 1093 3HD2 LEU A 65 1.101 -8.425 -2.118 1.00 50.00 H -ATOM 1094 N LEU A 66 -3.649 -9.218 -3.996 1.00 50.00 N -ATOM 1095 CA LEU A 66 -4.565 -9.256 -5.122 1.00 50.00 C -ATOM 1096 C LEU A 66 -4.475 -7.927 -5.871 1.00 50.00 C -ATOM 1097 O LEU A 66 -4.303 -7.889 -7.102 1.00 50.00 O -ATOM 1098 CB LEU A 66 -6.012 -9.479 -4.623 1.00 50.00 C -ATOM 1099 CG LEU A 66 -7.060 -9.502 -5.763 1.00 50.00 C -ATOM 1100 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 50.00 C -ATOM 1101 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 50.00 C -ATOM 1102 H LEU A 66 -4.021 -9.261 -3.058 1.00 50.00 H -ATOM 1103 HA LEU A 66 -4.284 -10.087 -5.768 1.00 50.00 H -ATOM 1104 1HB LEU A 66 -6.053 -10.426 -4.088 1.00 50.00 H -ATOM 1105 2HB LEU A 66 -6.266 -8.681 -3.926 1.00 50.00 H -ATOM 1106 HG LEU A 66 -6.882 -8.664 -6.438 1.00 50.00 H -ATOM 1107 1HD1 LEU A 66 -7.621 -10.698 -7.471 1.00 50.00 H -ATOM 1108 2HD1 LEU A 66 -5.875 -10.680 -7.131 1.00 50.00 H -ATOM 1109 3HD1 LEU A 66 -6.972 -11.632 -6.103 1.00 50.00 H -ATOM 1110 1HD2 LEU A 66 -9.201 -9.410 -6.077 1.00 50.00 H -ATOM 1111 2HD2 LEU A 66 -8.716 -10.227 -4.571 1.00 50.00 H -ATOM 1112 3HD2 LEU A 66 -8.622 -8.454 -4.691 1.00 50.00 H -ATOM 1113 N TRP A 67 -4.609 -6.842 -5.110 1.00 50.00 N -ATOM 1114 CA TRP A 67 -4.509 -5.474 -5.597 1.00 50.00 C -ATOM 1115 C TRP A 67 -3.137 -5.141 -6.165 1.00 50.00 C -ATOM 1116 O TRP A 67 -3.056 -4.540 -7.211 1.00 50.00 O -ATOM 1117 CB TRP A 67 -4.807 -4.482 -4.461 1.00 50.00 C -ATOM 1118 CG TRP A 67 -6.264 -4.263 -4.178 1.00 50.00 C -ATOM 1119 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 50.00 C -ATOM 1120 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 50.00 C -ATOM 1121 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 50.00 N -ATOM 1122 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 50.00 C -ATOM 1123 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 50.00 C -ATOM 1124 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 50.00 C -ATOM 1125 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 50.00 C -ATOM 1126 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 50.00 C -ATOM 1127 H TRP A 67 -4.792 -7.003 -4.130 1.00 50.00 H -ATOM 1128 HA TRP A 67 -5.246 -5.334 -6.387 1.00 50.00 H -ATOM 1129 1HB TRP A 67 -4.342 -4.833 -3.540 1.00 50.00 H -ATOM 1130 2HB TRP A 67 -4.369 -3.513 -4.700 1.00 50.00 H -ATOM 1131 HD1 TRP A 67 -6.458 -4.894 -2.092 1.00 50.00 H -ATOM 1132 HE1 TRP A 67 -8.906 -4.155 -2.343 1.00 50.00 H -ATOM 1133 HE3 TRP A 67 -6.239 -3.252 -6.941 1.00 50.00 H -ATOM 1134 HZ2 TRP A 67 -10.570 -3.082 -4.354 1.00 50.00 H -ATOM 1135 HZ3 TRP A 67 -8.281 -2.410 -7.994 1.00 50.00 H -ATOM 1136 HH2 TRP A 67 -10.456 -2.314 -6.701 1.00 50.00 H -ATOM 1137 N TRP A 68 -2.074 -5.507 -5.428 1.00 50.00 N -ATOM 1138 CA TRP A 68 -0.684 -5.403 -5.896 1.00 50.00 C -ATOM 1139 C TRP A 68 -0.506 -6.150 -7.231 1.00 50.00 C -ATOM 1140 O TRP A 68 0.033 -5.587 -8.198 1.00 50.00 O -ATOM 1141 CB TRP A 68 0.307 -5.939 -4.845 1.00 50.00 C -ATOM 1142 CG TRP A 68 1.683 -6.189 -5.425 1.00 50.00 C -ATOM 1143 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 50.00 C -ATOM 1144 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 50.00 C -ATOM 1145 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 50.00 N -ATOM 1146 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 50.00 C -ATOM 1147 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 50.00 C -ATOM 1148 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 50.00 C -ATOM 1149 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 50.00 C -ATOM 1150 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 50.00 C -ATOM 1151 H TRP A 68 -2.256 -5.872 -4.504 1.00 50.00 H -ATOM 1152 HA TRP A 68 -0.456 -4.352 -6.073 1.00 50.00 H -ATOM 1153 1HB TRP A 68 0.393 -5.223 -4.027 1.00 50.00 H -ATOM 1154 2HB TRP A 68 -0.075 -6.870 -4.426 1.00 50.00 H -ATOM 1155 HD1 TRP A 68 1.602 -8.306 -5.964 1.00 50.00 H -ATOM 1156 HE1 TRP A 68 4.001 -7.932 -6.796 1.00 50.00 H -ATOM 1157 HE3 TRP A 68 2.016 -3.343 -4.804 1.00 50.00 H -ATOM 1158 HZ2 TRP A 68 5.838 -5.794 -7.037 1.00 50.00 H -ATOM 1159 HZ3 TRP A 68 4.170 -2.174 -5.314 1.00 50.00 H -ATOM 1160 HH2 TRP A 68 6.092 -3.428 -6.371 1.00 50.00 H -ATOM 1161 N TRP A 69 -1.002 -7.391 -7.304 1.00 50.00 N -ATOM 1162 CA TRP A 69 -0.870 -8.160 -8.518 1.00 50.00 C -ATOM 1163 C TRP A 69 -1.571 -7.457 -9.705 1.00 50.00 C -ATOM 1164 O TRP A 69 -1.031 -7.390 -10.809 1.00 50.00 O -ATOM 1165 CB TRP A 69 -1.416 -9.593 -8.306 1.00 50.00 C -ATOM 1166 CG TRP A 69 -1.374 -10.564 -9.511 1.00 50.00 C -ATOM 1167 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 50.00 C -ATOM 1168 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 50.00 C -ATOM 1169 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 50.00 N -ATOM 1170 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 50.00 C -ATOM 1171 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 50.00 C -ATOM 1172 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 50.00 C -ATOM 1173 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 50.00 C -ATOM 1174 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 50.00 C -ATOM 1175 H TRP A 69 -1.473 -7.801 -6.511 1.00 50.00 H -ATOM 1176 HA TRP A 69 0.187 -8.222 -8.775 1.00 50.00 H -ATOM 1177 1HB TRP A 69 -0.859 -10.080 -7.506 1.00 50.00 H -ATOM 1178 2HB TRP A 69 -2.459 -9.542 -7.995 1.00 50.00 H -ATOM 1179 HD1 TRP A 69 0.632 -10.281 -10.299 1.00 50.00 H -ATOM 1180 HE1 TRP A 69 -0.052 -12.054 -12.035 1.00 50.00 H -ATOM 1181 HE3 TRP A 69 -4.104 -11.198 -8.598 1.00 50.00 H -ATOM 1182 HZ2 TRP A 69 -2.312 -13.646 -12.611 1.00 50.00 H -ATOM 1183 HZ3 TRP A 69 -5.476 -12.914 -9.773 1.00 50.00 H -ATOM 1184 HH2 TRP A 69 -4.576 -14.107 -11.781 1.00 50.00 H -ATOM 1185 N TYR A 70 -2.787 -6.964 -9.464 1.00 50.00 N -ATOM 1186 CA TYR A 70 -3.541 -6.281 -10.513 1.00 50.00 C -ATOM 1187 C TYR A 70 -2.980 -4.906 -10.908 1.00 50.00 C -ATOM 1188 O TYR A 70 -2.765 -4.629 -12.081 1.00 50.00 O -ATOM 1189 CB TYR A 70 -5.022 -6.142 -10.124 1.00 50.00 C -ATOM 1190 CG TYR A 70 -5.914 -5.699 -11.259 1.00 50.00 C -ATOM 1191 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 50.00 C -ATOM 1192 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 50.00 C -ATOM 1193 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 50.00 C -ATOM 1194 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 50.00 C -ATOM 1195 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 50.00 C -ATOM 1196 OH TYR A 70 -8.328 -4.351 -14.399 1.00 50.00 O -ATOM 1197 H TYR A 70 -3.198 -7.061 -8.546 1.00 50.00 H -ATOM 1198 HA TYR A 70 -3.479 -6.874 -11.426 1.00 50.00 H -ATOM 1199 1HB TYR A 70 -5.393 -7.099 -9.755 1.00 50.00 H -ATOM 1200 2HB TYR A 70 -5.119 -5.419 -9.315 1.00 50.00 H -ATOM 1201 HD1 TYR A 70 -5.897 -7.593 -12.288 1.00 50.00 H -ATOM 1202 HD2 TYR A 70 -6.119 -3.690 -10.531 1.00 50.00 H -ATOM 1203 HE1 TYR A 70 -7.321 -6.837 -14.154 1.00 50.00 H -ATOM 1204 HE2 TYR A 70 -7.497 -2.918 -12.414 1.00 50.00 H -ATOM 1205 HH TYR A 70 -8.539 -3.429 -14.231 1.00 50.00 H -ATOM 1206 N LEU A 71 -2.779 -4.023 -9.932 1.00 50.00 N -ATOM 1207 CA LEU A 71 -2.412 -2.664 -10.245 1.00 50.00 C -ATOM 1208 C LEU A 71 -0.920 -2.594 -10.467 1.00 50.00 C -ATOM 1209 O LEU A 71 -0.466 -2.058 -11.483 1.00 50.00 O -ATOM 1210 CB LEU A 71 -2.796 -1.715 -9.133 1.00 50.00 C -ATOM 1211 CG LEU A 71 -4.263 -1.596 -8.751 1.00 50.00 C -ATOM 1212 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 50.00 C -ATOM 1213 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 50.00 C -ATOM 1214 H LEU A 71 -2.881 -4.295 -8.965 1.00 50.00 H -ATOM 1215 HA LEU A 71 -2.943 -2.362 -11.147 1.00 50.00 H -ATOM 1216 1HB LEU A 71 -2.270 -2.011 -8.227 1.00 50.00 H -ATOM 1217 2HB LEU A 71 -2.471 -0.711 -9.405 1.00 50.00 H -ATOM 1218 HG LEU A 71 -4.650 -2.579 -8.482 1.00 50.00 H -ATOM 1219 1HD1 LEU A 71 -5.427 -0.542 -7.326 1.00 50.00 H -ATOM 1220 2HD1 LEU A 71 -3.805 -1.010 -6.765 1.00 50.00 H -ATOM 1221 3HD1 LEU A 71 -3.995 0.334 -7.915 1.00 50.00 H -ATOM 1222 1HD2 LEU A 71 -6.130 -0.978 -9.599 1.00 50.00 H -ATOM 1223 2HD2 LEU A 71 -4.716 -0.062 -10.175 1.00 50.00 H -ATOM 1224 3HD2 LEU A 71 -5.001 -1.720 -10.757 1.00 50.00 H -ATOM 1225 N GLY A 72 -0.166 -3.164 -9.517 1.00 50.00 N -ATOM 1226 CA GLY A 72 1.262 -3.426 -9.682 1.00 50.00 C -ATOM 1227 C GLY A 72 1.555 -3.981 -11.053 1.00 50.00 C -ATOM 1228 O GLY A 72 2.328 -3.428 -11.762 1.00 50.00 O -ATOM 1229 H GLY A 72 -0.616 -3.421 -8.650 1.00 50.00 H -ATOM 1230 1HA GLY A 72 1.821 -2.503 -9.530 1.00 50.00 H -ATOM 1231 2HA GLY A 72 1.593 -4.131 -8.920 1.00 50.00 H -ATOM 1232 N GLY A 73 0.899 -5.076 -11.431 1.00 50.00 N -ATOM 1233 CA GLY A 73 1.183 -5.761 -12.689 1.00 50.00 C -ATOM 1234 C GLY A 73 0.863 -4.924 -13.929 1.00 50.00 C -ATOM 1235 O GLY A 73 1.577 -4.950 -14.946 1.00 50.00 O -ATOM 1236 H GLY A 73 0.180 -5.442 -10.823 1.00 50.00 H -ATOM 1237 1HA GLY A 73 2.237 -6.038 -12.723 1.00 50.00 H -ATOM 1238 2HA GLY A 73 0.607 -6.684 -12.739 1.00 50.00 H -ATOM 1239 N ALA A 74 -0.222 -4.156 -13.848 1.00 50.00 N -ATOM 1240 CA ALA A 74 -0.574 -3.225 -14.916 1.00 50.00 C -ATOM 1241 C ALA A 74 0.553 -2.170 -15.071 1.00 50.00 C -ATOM 1242 O ALA A 74 1.085 -1.969 -16.141 1.00 50.00 O -ATOM 1243 CB ALA A 74 -1.915 -2.556 -14.604 1.00 50.00 C -ATOM 1244 H ALA A 74 -0.815 -4.217 -13.033 1.00 50.00 H -ATOM 1245 HA ALA A 74 -0.665 -3.792 -15.843 1.00 50.00 H -ATOM 1246 1HB ALA A 74 -2.171 -1.863 -15.405 1.00 50.00 H -ATOM 1247 2HB ALA A 74 -2.691 -3.317 -14.521 1.00 50.00 H -ATOM 1248 3HB ALA A 74 -1.840 -2.012 -13.664 1.00 50.00 H -ATOM 1249 N VAL A 75 0.939 -1.540 -13.966 1.00 0.00 N -ATOM 1250 CA VAL A 75 1.970 -0.536 -14.026 1.00 0.00 C -ATOM 1251 C VAL A 75 3.243 -1.062 -14.684 1.00 0.00 C -ATOM 1252 O VAL A 75 3.753 -0.446 -15.580 1.00 0.00 O -ATOM 1253 CB VAL A 75 2.254 0.087 -12.658 1.00 0.00 C -ATOM 1254 CG1 VAL A 75 3.486 0.986 -12.719 1.00 0.00 C -ATOM 1255 CG2 VAL A 75 1.049 0.891 -12.220 1.00 0.00 C -ATOM 1256 H VAL A 75 0.515 -1.757 -13.075 1.00 0.00 H -ATOM 1257 HA VAL A 75 1.638 0.261 -14.692 1.00 0.00 H -ATOM 1258 HB VAL A 75 2.450 -0.709 -11.940 1.00 0.00 H -ATOM 1259 1HG1 VAL A 75 3.670 1.419 -11.735 1.00 0.00 H -ATOM 1260 2HG1 VAL A 75 4.351 0.397 -13.023 1.00 0.00 H -ATOM 1261 3HG1 VAL A 75 3.318 1.786 -13.440 1.00 0.00 H -ATOM 1262 1HG2 VAL A 75 1.244 1.337 -11.245 1.00 0.00 H -ATOM 1263 2HG2 VAL A 75 0.853 1.679 -12.948 1.00 0.00 H -ATOM 1264 3HG2 VAL A 75 0.180 0.236 -12.151 1.00 0.00 H -ATOM 1265 N GLU A 76 3.757 -2.189 -14.214 1.00 50.00 N -ATOM 1266 CA GLU A 76 4.967 -2.798 -14.773 1.00 50.00 C -ATOM 1267 C GLU A 76 4.820 -3.080 -16.239 1.00 50.00 C -ATOM 1268 O GLU A 76 5.723 -2.765 -17.019 1.00 50.00 O -ATOM 1269 CB GLU A 76 5.337 -4.096 -14.044 1.00 50.00 C -ATOM 1270 CG GLU A 76 6.632 -4.791 -14.477 1.00 50.00 C -ATOM 1271 CD GLU A 76 7.185 -5.661 -13.361 1.00 50.00 C -ATOM 1272 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 50.00 O -ATOM 1273 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 50.00 O -ATOM 1274 H GLU A 76 3.291 -2.641 -13.440 1.00 50.00 H -ATOM 1275 HA GLU A 76 5.794 -2.097 -14.655 1.00 50.00 H -ATOM 1276 1HB GLU A 76 5.434 -3.899 -12.976 1.00 50.00 H -ATOM 1277 2HB GLU A 76 4.537 -4.825 -14.171 1.00 50.00 H -ATOM 1278 1HG GLU A 76 6.427 -5.404 -15.355 1.00 50.00 H -ATOM 1279 2HG GLU A 76 7.362 -4.033 -14.759 1.00 50.00 H -ATOM 1280 N LYS A 77 3.690 -3.673 -16.628 1.00 0.00 N -ATOM 1281 CA LYS A 77 3.480 -4.028 -18.016 1.00 0.00 C -ATOM 1282 C LYS A 77 3.438 -2.795 -18.917 1.00 0.00 C -ATOM 1283 O LYS A 77 4.031 -2.795 -19.967 1.00 0.00 O -ATOM 1284 CB LYS A 77 2.196 -4.861 -18.197 1.00 0.00 C -ATOM 1285 CG LYS A 77 2.086 -5.663 -19.499 1.00 0.00 C -ATOM 1286 CD LYS A 77 3.211 -6.707 -19.726 1.00 0.00 C -ATOM 1287 CE LYS A 77 3.498 -7.673 -18.548 1.00 0.00 C -ATOM 1288 NZ LYS A 77 4.757 -7.414 -17.744 1.00 0.00 N -ATOM 1289 H LYS A 77 2.968 -3.880 -15.953 1.00 0.00 H -ATOM 1290 HA LYS A 77 4.326 -4.630 -18.351 1.00 0.00 H -ATOM 1291 1HB LYS A 77 2.106 -5.574 -17.377 1.00 0.00 H -ATOM 1292 2HB LYS A 77 1.327 -4.204 -18.156 1.00 0.00 H -ATOM 1293 1HG LYS A 77 1.140 -6.205 -19.514 1.00 0.00 H -ATOM 1294 2HG LYS A 77 2.107 -4.981 -20.349 1.00 0.00 H -ATOM 1295 1HD LYS A 77 2.960 -7.332 -20.584 1.00 0.00 H -ATOM 1296 2HD LYS A 77 4.148 -6.192 -19.936 1.00 0.00 H -ATOM 1297 1HE LYS A 77 2.671 -7.639 -17.840 1.00 0.00 H -ATOM 1298 2HE LYS A 77 3.582 -8.692 -18.925 1.00 0.00 H -ATOM 1299 1HZ LYS A 77 4.836 -8.103 -17.010 1.00 0.00 H -ATOM 1300 2HZ LYS A 77 5.563 -7.475 -18.350 1.00 0.00 H -ATOM 1301 3HZ LYS A 77 4.712 -6.491 -17.336 1.00 0.00 H -ATOM 1302 N ARG A 78 2.724 -1.744 -18.516 1.00 0.00 N -ATOM 1303 CA ARG A 78 2.516 -0.640 -19.447 1.00 0.00 C -ATOM 1304 C ARG A 78 3.600 0.440 -19.363 1.00 0.00 C -ATOM 1305 O ARG A 78 3.914 1.051 -20.371 1.00 0.00 O -ATOM 1306 CB ARG A 78 1.120 -0.024 -19.335 1.00 0.00 C -ATOM 1307 CG ARG A 78 -0.022 -0.981 -18.999 1.00 0.00 C -ATOM 1308 CD ARG A 78 -0.717 -1.719 -20.148 1.00 0.00 C -ATOM 1309 NE ARG A 78 -1.292 -3.002 -19.655 1.00 0.00 N -ATOM 1310 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 0.00 C -ATOM 1311 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 0.00 N -ATOM 1312 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 0.00 N -ATOM 1313 H ARG A 78 2.324 -1.689 -17.590 1.00 0.00 H -ATOM 1314 HA ARG A 78 2.626 -1.019 -20.463 1.00 0.00 H -ATOM 1315 1HB ARG A 78 1.123 0.745 -18.563 1.00 0.00 H -ATOM 1316 2HB ARG A 78 0.859 0.459 -20.277 1.00 0.00 H -ATOM 1317 1HG ARG A 78 0.346 -1.770 -18.343 1.00 0.00 H -ATOM 1318 2HG ARG A 78 -0.820 -0.433 -18.496 1.00 0.00 H -ATOM 1319 1HD ARG A 78 -1.518 -1.098 -20.548 1.00 0.00 H -ATOM 1320 2HD ARG A 78 0.006 -1.929 -20.935 1.00 0.00 H -ATOM 1321 HE ARG A 78 -0.852 -3.861 -19.958 1.00 0.00 H -ATOM 1322 1HH1 ARG A 78 -2.771 -1.162 -18.654 1.00 0.00 H -ATOM 1323 2HH1 ARG A 78 -3.831 -2.237 -17.770 1.00 0.00 H -ATOM 1324 1HH2 ARG A 78 -2.229 -5.182 -18.772 1.00 0.00 H -ATOM 1325 2HH2 ARG A 78 -3.529 -4.479 -17.836 1.00 0.00 H -ATOM 1326 N LEU A 79 4.151 0.661 -18.161 1.00 0.00 N -ATOM 1327 CA LEU A 79 5.099 1.744 -17.850 1.00 0.00 C -ATOM 1328 C LEU A 79 6.504 1.244 -17.514 1.00 0.00 C -ATOM 1329 O LEU A 79 7.455 2.023 -17.485 1.00 0.00 O -ATOM 1330 CB LEU A 79 4.572 2.598 -16.671 1.00 0.00 C -ATOM 1331 CG LEU A 79 3.124 3.052 -16.835 1.00 0.00 C -ATOM 1332 CD1 LEU A 79 2.578 3.970 -15.733 1.00 0.00 C -ATOM 1333 CD2 LEU A 79 3.016 3.756 -18.185 1.00 0.00 C -ATOM 1334 H LEU A 79 3.878 0.021 -17.429 1.00 0.00 H -ATOM 1335 HA LEU A 79 5.195 2.382 -18.728 1.00 0.00 H -ATOM 1336 1HB LEU A 79 4.652 2.014 -15.756 1.00 0.00 H -ATOM 1337 2HB LEU A 79 5.204 3.480 -16.571 1.00 0.00 H -ATOM 1338 HG LEU A 79 2.465 2.184 -16.804 1.00 0.00 H -ATOM 1339 1HD1 LEU A 79 1.542 4.228 -15.954 1.00 0.00 H -ATOM 1340 2HD1 LEU A 79 2.626 3.455 -14.773 1.00 0.00 H -ATOM 1341 3HD1 LEU A 79 3.176 4.879 -15.688 1.00 0.00 H -ATOM 1342 1HD2 LEU A 79 1.991 4.095 -18.338 1.00 0.00 H -ATOM 1343 2HD2 LEU A 79 3.688 4.614 -18.203 1.00 0.00 H -ATOM 1344 3HD2 LEU A 79 3.291 3.063 -18.980 1.00 0.00 H -ATOM 1345 N GLY A 80 6.651 -0.049 -17.238 1.00 0.00 N -ATOM 1346 CA GLY A 80 7.938 -0.615 -16.910 1.00 0.00 C -ATOM 1347 C GLY A 80 8.151 -0.964 -15.431 1.00 0.00 C -ATOM 1348 O GLY A 80 7.560 -0.375 -14.529 1.00 0.00 O -ATOM 1349 H GLY A 80 5.840 -0.650 -17.259 1.00 0.00 H -ATOM 1350 1HA GLY A 80 8.091 -1.528 -17.485 1.00 0.00 H -ATOM 1351 2HA GLY A 80 8.725 0.081 -17.197 1.00 0.00 H -ATOM 1352 N SER A 81 9.085 -1.895 -15.228 1.00 50.00 N -ATOM 1353 CA SER A 81 9.611 -2.297 -13.970 1.00 50.00 C -ATOM 1354 C SER A 81 10.108 -1.160 -13.095 1.00 50.00 C -ATOM 1355 O SER A 81 9.788 -1.112 -11.860 1.00 50.00 O -ATOM 1356 CB SER A 81 10.738 -3.301 -14.223 1.00 50.00 C -ATOM 1357 OG SER A 81 10.176 -4.528 -14.624 1.00 50.00 O -ATOM 1358 H SER A 81 9.429 -2.336 -16.069 1.00 50.00 H -ATOM 1359 HA SER A 81 8.814 -2.774 -13.398 1.00 50.00 H -ATOM 1360 1HB SER A 81 11.405 -2.913 -14.993 1.00 50.00 H -ATOM 1361 2HB SER A 81 11.325 -3.425 -13.314 1.00 50.00 H -ATOM 1362 HG SER A 81 9.225 -4.395 -14.628 1.00 50.00 H -ATOM 1363 N GLY A 82 10.858 -0.240 -13.705 1.00 50.00 N -ATOM 1364 CA GLY A 82 11.417 0.898 -12.997 1.00 50.00 C -ATOM 1365 C GLY A 82 10.374 1.778 -12.306 1.00 50.00 C -ATOM 1366 O GLY A 82 10.557 2.237 -11.170 1.00 50.00 O -ATOM 1367 H GLY A 82 11.041 -0.343 -14.693 1.00 50.00 H -ATOM 1368 1HA GLY A 82 12.120 0.547 -12.241 1.00 50.00 H -ATOM 1369 2HA GLY A 82 11.978 1.520 -13.694 1.00 50.00 H -ATOM 1370 N LYS A 83 9.281 2.038 -13.018 1.00 50.00 N -ATOM 1371 CA LYS A 83 8.229 2.867 -12.550 1.00 50.00 C -ATOM 1372 C LYS A 83 7.605 2.203 -11.307 1.00 50.00 C -ATOM 1373 O LYS A 83 7.359 2.851 -10.304 1.00 50.00 O -ATOM 1374 CB LYS A 83 7.194 3.004 -13.666 1.00 50.00 C -ATOM 1375 CG LYS A 83 5.992 3.862 -13.265 1.00 50.00 C -ATOM 1376 CD LYS A 83 6.359 5.296 -12.967 1.00 50.00 C -ATOM 1377 CE LYS A 83 6.640 6.047 -14.264 1.00 50.00 C -ATOM 1378 NZ LYS A 83 6.863 7.450 -13.874 1.00 50.00 N -ATOM 1379 H LYS A 83 9.207 1.620 -13.934 1.00 50.00 H -ATOM 1380 HA LYS A 83 8.642 3.847 -12.309 1.00 50.00 H -ATOM 1381 1HB LYS A 83 7.662 3.450 -14.544 1.00 50.00 H -ATOM 1382 2HB LYS A 83 6.835 2.015 -13.953 1.00 50.00 H -ATOM 1383 1HG LYS A 83 5.259 3.862 -14.073 1.00 50.00 H -ATOM 1384 2HG LYS A 83 5.525 3.441 -12.375 1.00 50.00 H -ATOM 1385 1HD LYS A 83 5.538 5.779 -12.435 1.00 50.00 H -ATOM 1386 2HD LYS A 83 7.245 5.321 -12.332 1.00 50.00 H -ATOM 1387 1HE LYS A 83 7.514 5.617 -14.751 1.00 50.00 H -ATOM 1388 2HE LYS A 83 5.788 5.943 -14.936 1.00 50.00 H -ATOM 1389 1HZ LYS A 83 7.055 8.002 -14.698 1.00 50.00 H -ATOM 1390 2HZ LYS A 83 6.037 7.808 -13.414 1.00 50.00 H -ATOM 1391 3HZ LYS A 83 7.649 7.503 -13.242 1.00 50.00 H -ATOM 1392 N LEU A 84 7.380 0.885 -11.376 1.00 50.00 N -ATOM 1393 CA LEU A 84 6.797 0.152 -10.251 1.00 50.00 C -ATOM 1394 C LEU A 84 7.736 0.198 -9.064 1.00 50.00 C -ATOM 1395 O LEU A 84 7.290 0.405 -7.954 1.00 50.00 O -ATOM 1396 CB LEU A 84 6.502 -1.304 -10.598 1.00 50.00 C -ATOM 1397 CG LEU A 84 5.771 -2.102 -9.495 1.00 50.00 C -ATOM 1398 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 50.00 C -ATOM 1399 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 50.00 C -ATOM 1400 H LEU A 84 7.616 0.384 -12.220 1.00 50.00 H -ATOM 1401 HA LEU A 84 5.854 0.626 -9.981 1.00 50.00 H -ATOM 1402 1HB LEU A 84 5.888 -1.329 -11.497 1.00 50.00 H -ATOM 1403 2HB LEU A 84 7.444 -1.808 -10.812 1.00 50.00 H -ATOM 1404 HG LEU A 84 6.429 -2.220 -8.634 1.00 50.00 H -ATOM 1405 1HD1 LEU A 84 4.071 -1.966 -8.204 1.00 50.00 H -ATOM 1406 2HD1 LEU A 84 4.858 -0.410 -8.558 1.00 50.00 H -ATOM 1407 3HD1 LEU A 84 3.855 -1.202 -9.797 1.00 50.00 H -ATOM 1408 1HD2 LEU A 84 4.857 -4.030 -9.201 1.00 50.00 H -ATOM 1409 2HD2 LEU A 84 4.702 -3.387 -10.853 1.00 50.00 H -ATOM 1410 3HD2 LEU A 84 6.261 -4.041 -10.295 1.00 50.00 H -ATOM 1411 N ILE A 85 9.042 0.006 -9.325 1.00 50.00 N -ATOM 1412 CA ILE A 85 10.054 0.140 -8.273 1.00 50.00 C -ATOM 1413 C ILE A 85 9.998 1.466 -7.502 1.00 50.00 C -ATOM 1414 O ILE A 85 9.973 1.459 -6.266 1.00 50.00 O -ATOM 1415 CB ILE A 85 11.464 -0.112 -8.823 1.00 50.00 C -ATOM 1416 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 50.00 C -ATOM 1417 CG2 ILE A 85 12.561 0.357 -7.842 1.00 50.00 C -ATOM 1418 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 50.00 C -ATOM 1419 H ILE A 85 9.335 -0.235 -10.261 1.00 50.00 H -ATOM 1420 HA ILE A 85 9.851 -0.602 -7.501 1.00 50.00 H -ATOM 1421 HB ILE A 85 11.591 0.430 -9.759 1.00 50.00 H -ATOM 1422 1HG1 ILE A 85 11.755 -2.149 -8.165 1.00 50.00 H -ATOM 1423 2HG1 ILE A 85 10.721 -1.996 -9.576 1.00 50.00 H -ATOM 1424 1HG2 ILE A 85 13.543 0.159 -8.272 1.00 50.00 H -ATOM 1425 2HG2 ILE A 85 12.454 1.426 -7.661 1.00 50.00 H -ATOM 1426 3HG2 ILE A 85 12.462 -0.183 -6.900 1.00 50.00 H -ATOM 1427 1HD1 ILE A 85 12.862 -3.015 -10.164 1.00 50.00 H -ATOM 1428 2HD1 ILE A 85 12.680 -1.437 -10.967 1.00 50.00 H -ATOM 1429 3HD1 ILE A 85 13.729 -1.593 -9.538 1.00 50.00 H -ATOM 1430 N VAL A 86 9.964 2.591 -8.222 1.00 50.00 N -ATOM 1431 CA VAL A 86 10.012 3.895 -7.573 1.00 50.00 C -ATOM 1432 C VAL A 86 8.723 4.219 -6.840 1.00 50.00 C -ATOM 1433 O VAL A 86 8.759 4.700 -5.724 1.00 50.00 O -ATOM 1434 CB VAL A 86 10.279 5.024 -8.614 1.00 50.00 C -ATOM 1435 CG1 VAL A 86 10.621 6.347 -7.923 1.00 50.00 C -ATOM 1436 CG2 VAL A 86 11.349 4.601 -9.611 1.00 50.00 C -ATOM 1437 H VAL A 86 9.904 2.545 -9.229 1.00 50.00 H -ATOM 1438 HA VAL A 86 10.829 3.892 -6.850 1.00 50.00 H -ATOM 1439 HB VAL A 86 9.355 5.235 -9.153 1.00 50.00 H -ATOM 1440 1HG1 VAL A 86 10.802 7.115 -8.676 1.00 50.00 H -ATOM 1441 2HG1 VAL A 86 9.789 6.651 -7.288 1.00 50.00 H -ATOM 1442 3HG1 VAL A 86 11.516 6.219 -7.315 1.00 50.00 H -ATOM 1443 1HG2 VAL A 86 11.517 5.405 -10.327 1.00 50.00 H -ATOM 1444 2HG2 VAL A 86 12.277 4.388 -9.080 1.00 50.00 H -ATOM 1445 3HG2 VAL A 86 11.020 3.707 -10.140 1.00 50.00 H -ATOM 1446 N ILE A 87 7.571 3.947 -7.467 1.00 0.00 N -ATOM 1447 CA ILE A 87 6.305 4.039 -6.738 1.00 0.00 C -ATOM 1448 C ILE A 87 6.350 3.276 -5.410 1.00 0.00 C -ATOM 1449 O ILE A 87 6.038 3.781 -4.331 1.00 0.00 O -ATOM 1450 CB ILE A 87 5.156 3.535 -7.575 1.00 0.00 C -ATOM 1451 CG1 ILE A 87 4.921 4.490 -8.716 1.00 0.00 C -ATOM 1452 CG2 ILE A 87 3.889 3.400 -6.722 1.00 0.00 C -ATOM 1453 CD1 ILE A 87 3.874 3.971 -9.695 1.00 0.00 C -ATOM 1454 H ILE A 87 7.560 3.678 -8.440 1.00 0.00 H -ATOM 1455 HA ILE A 87 6.120 5.085 -6.498 1.00 0.00 H -ATOM 1456 HB ILE A 87 5.409 2.560 -7.990 1.00 0.00 H -ATOM 1457 1HG1 ILE A 87 4.596 5.453 -8.323 1.00 0.00 H -ATOM 1458 2HG1 ILE A 87 5.857 4.655 -9.251 1.00 0.00 H -ATOM 1459 1HG2 ILE A 87 3.070 3.036 -7.342 1.00 0.00 H -ATOM 1460 2HG2 ILE A 87 4.070 2.696 -5.911 1.00 0.00 H -ATOM 1461 3HG2 ILE A 87 3.625 4.373 -6.306 1.00 0.00 H -ATOM 1462 1HD1 ILE A 87 3.739 4.693 -10.500 1.00 0.00 H -ATOM 1463 2HD1 ILE A 87 4.206 3.020 -10.112 1.00 0.00 H -ATOM 1464 3HD1 ILE A 87 2.928 3.829 -9.174 1.00 0.00 H -ATOM 1465 N THR A 88 6.825 2.049 -5.496 1.00 50.00 N -ATOM 1466 CA THR A 88 6.924 1.177 -4.334 1.00 50.00 C -ATOM 1467 C THR A 88 7.889 1.738 -3.289 1.00 50.00 C -ATOM 1468 O THR A 88 7.537 1.750 -2.136 1.00 50.00 O -ATOM 1469 CB THR A 88 7.359 -0.234 -4.741 1.00 50.00 C -ATOM 1470 OG1 THR A 88 6.423 -0.773 -5.664 1.00 50.00 O -ATOM 1471 CG2 THR A 88 7.453 -1.165 -3.502 1.00 50.00 C -ATOM 1472 H THR A 88 7.129 1.706 -6.396 1.00 50.00 H -ATOM 1473 HA THR A 88 5.942 1.112 -3.866 1.00 50.00 H -ATOM 1474 HB THR A 88 8.335 -0.189 -5.224 1.00 50.00 H -ATOM 1475 HG1 THR A 88 5.727 -0.131 -5.825 1.00 50.00 H -ATOM 1476 1HG2 THR A 88 7.764 -2.161 -3.818 1.00 50.00 H -ATOM 1477 2HG2 THR A 88 8.182 -0.763 -2.799 1.00 50.00 H -ATOM 1478 3HG2 THR A 88 6.479 -1.226 -3.018 1.00 50.00 H -ATOM 1479 N LEU A 89 9.105 2.168 -3.696 1.00 50.00 N -ATOM 1480 CA LEU A 89 10.078 2.707 -2.725 1.00 50.00 C -ATOM 1481 C LEU A 89 9.574 3.936 -2.010 1.00 50.00 C -ATOM 1482 O LEU A 89 9.789 4.097 -0.800 1.00 50.00 O -ATOM 1483 CB LEU A 89 11.434 3.045 -3.349 1.00 50.00 C -ATOM 1484 CG LEU A 89 12.203 1.836 -3.893 1.00 50.00 C -ATOM 1485 CD1 LEU A 89 13.497 2.302 -4.530 1.00 50.00 C -ATOM 1486 CD2 LEU A 89 12.480 0.770 -2.826 1.00 50.00 C -ATOM 1487 H LEU A 89 9.358 2.123 -4.673 1.00 50.00 H -ATOM 1488 HA LEU A 89 10.254 1.954 -1.958 1.00 50.00 H -ATOM 1489 1HB LEU A 89 11.275 3.746 -4.167 1.00 50.00 H -ATOM 1490 2HB LEU A 89 12.052 3.533 -2.595 1.00 50.00 H -ATOM 1491 HG LEU A 89 11.625 1.365 -4.688 1.00 50.00 H -ATOM 1492 1HD1 LEU A 89 14.043 1.441 -4.917 1.00 50.00 H -ATOM 1493 2HD1 LEU A 89 13.274 2.987 -5.348 1.00 50.00 H -ATOM 1494 3HD1 LEU A 89 14.106 2.813 -3.785 1.00 50.00 H -ATOM 1495 1HD2 LEU A 89 13.027 -0.060 -3.274 1.00 50.00 H -ATOM 1496 2HD2 LEU A 89 13.075 1.205 -2.023 1.00 50.00 H -ATOM 1497 3HD2 LEU A 89 11.535 0.406 -2.421 1.00 50.00 H -ATOM 1498 N ILE A 90 8.960 4.844 -2.775 1.00 50.00 N -ATOM 1499 CA ILE A 90 8.590 6.148 -2.292 1.00 50.00 C -ATOM 1500 C ILE A 90 7.369 5.955 -1.394 1.00 50.00 C -ATOM 1501 O ILE A 90 7.280 6.520 -0.327 1.00 50.00 O -ATOM 1502 CB ILE A 90 8.278 7.130 -3.471 1.00 50.00 C -ATOM 1503 CG1 ILE A 90 9.546 7.486 -4.260 1.00 50.00 C -ATOM 1504 CG2 ILE A 90 7.717 8.430 -2.903 1.00 50.00 C -ATOM 1505 CD1 ILE A 90 9.300 8.435 -5.450 1.00 50.00 C -ATOM 1506 H ILE A 90 8.751 4.596 -3.731 1.00 50.00 H -ATOM 1507 HA ILE A 90 9.425 6.556 -1.723 1.00 50.00 H -ATOM 1508 HB ILE A 90 7.546 6.676 -4.138 1.00 50.00 H -ATOM 1509 1HG1 ILE A 90 10.268 7.957 -3.594 1.00 50.00 H -ATOM 1510 2HG1 ILE A 90 10.004 6.574 -4.644 1.00 50.00 H -ATOM 1511 1HG2 ILE A 90 7.498 9.119 -3.719 1.00 50.00 H -ATOM 1512 2HG2 ILE A 90 6.802 8.220 -2.350 1.00 50.00 H -ATOM 1513 3HG2 ILE A 90 8.450 8.881 -2.234 1.00 50.00 H -ATOM 1514 1HD1 ILE A 90 10.245 8.637 -5.956 1.00 50.00 H -ATOM 1515 2HD1 ILE A 90 8.606 7.968 -6.150 1.00 50.00 H -ATOM 1516 3HD1 ILE A 90 8.876 9.370 -5.087 1.00 50.00 H -ATOM 1517 N SER A 91 6.406 5.180 -1.868 1.00 0.00 N -ATOM 1518 CA SER A 91 5.211 4.929 -1.061 1.00 0.00 C -ATOM 1519 C SER A 91 5.550 4.199 0.274 1.00 0.00 C -ATOM 1520 O SER A 91 5.042 4.587 1.324 1.00 0.00 O -ATOM 1521 CB SER A 91 4.114 4.206 -1.842 1.00 0.00 C -ATOM 1522 OG SER A 91 4.494 2.924 -2.211 1.00 0.00 O -ATOM 1523 H SER A 91 6.481 4.756 -2.782 1.00 0.00 H -ATOM 1524 HA SER A 91 4.806 5.888 -0.735 1.00 0.00 H -ATOM 1525 1HB SER A 91 3.212 4.149 -1.234 1.00 0.00 H -ATOM 1526 2HB SER A 91 3.869 4.776 -2.737 1.00 0.00 H -ATOM 1527 HG SER A 91 5.384 2.804 -1.872 1.00 0.00 H -ATOM 1528 N ALA A 92 6.432 3.199 0.213 1.00 50.00 N -ATOM 1529 CA ALA A 92 6.842 2.470 1.418 1.00 50.00 C -ATOM 1530 C ALA A 92 7.505 3.368 2.416 1.00 50.00 C -ATOM 1531 O ALA A 92 7.246 3.296 3.592 1.00 50.00 O -ATOM 1532 CB ALA A 92 7.737 1.283 1.110 1.00 50.00 C -ATOM 1533 H ALA A 92 6.827 2.937 -0.679 1.00 50.00 H -ATOM 1534 HA ALA A 92 5.944 2.091 1.907 1.00 50.00 H -ATOM 1535 1HB ALA A 92 8.009 0.782 2.039 1.00 50.00 H -ATOM 1536 2HB ALA A 92 7.206 0.585 0.463 1.00 50.00 H -ATOM 1537 3HB ALA A 92 8.639 1.629 0.607 1.00 50.00 H -ATOM 1538 N LEU A 93 8.402 4.229 1.942 1.00 50.00 N -ATOM 1539 CA LEU A 93 9.174 5.081 2.825 1.00 50.00 C -ATOM 1540 C LEU A 93 8.301 6.154 3.451 1.00 50.00 C -ATOM 1541 O LEU A 93 8.381 6.404 4.668 1.00 50.00 O -ATOM 1542 CB LEU A 93 10.256 5.737 2.003 1.00 50.00 C -ATOM 1543 CG LEU A 93 11.259 6.533 2.734 1.00 50.00 C -ATOM 1544 CD1 LEU A 93 12.011 5.709 3.770 1.00 50.00 C -ATOM 1545 CD2 LEU A 93 12.186 7.120 1.660 1.00 50.00 C -ATOM 1546 H LEU A 93 8.550 4.292 0.945 1.00 50.00 H -ATOM 1547 HA LEU A 93 9.622 4.460 3.600 1.00 50.00 H -ATOM 1548 1HB LEU A 93 10.796 4.964 1.459 1.00 50.00 H -ATOM 1549 2HB LEU A 93 9.787 6.402 1.278 1.00 50.00 H -ATOM 1550 HG LEU A 93 10.758 7.320 3.298 1.00 50.00 H -ATOM 1551 1HD1 LEU A 93 12.737 6.341 4.280 1.00 50.00 H -ATOM 1552 2HD1 LEU A 93 11.306 5.308 4.498 1.00 50.00 H -ATOM 1553 3HD1 LEU A 93 12.529 4.888 3.275 1.00 50.00 H -ATOM 1554 1HD2 LEU A 93 12.957 7.726 2.137 1.00 50.00 H -ATOM 1555 2HD2 LEU A 93 12.655 6.310 1.101 1.00 50.00 H -ATOM 1556 3HD2 LEU A 93 11.605 7.742 0.979 1.00 50.00 H -ATOM 1557 N LEU A 94 7.499 6.820 2.610 1.00 50.00 N -ATOM 1558 CA LEU A 94 6.712 7.955 3.072 1.00 50.00 C -ATOM 1559 C LEU A 94 5.575 7.465 3.977 1.00 50.00 C -ATOM 1560 O LEU A 94 5.295 8.078 5.031 1.00 50.00 O -ATOM 1561 CB LEU A 94 6.178 8.806 1.907 1.00 50.00 C -ATOM 1562 CG LEU A 94 7.138 9.894 1.425 1.00 50.00 C -ATOM 1563 CD1 LEU A 94 8.350 9.315 0.748 1.00 50.00 C -ATOM 1564 CD2 LEU A 94 6.454 10.827 0.456 1.00 50.00 C -ATOM 1565 H LEU A 94 7.434 6.538 1.642 1.00 50.00 H -ATOM 1566 HA LEU A 94 7.350 8.592 3.684 1.00 50.00 H -ATOM 1567 1HB LEU A 94 5.958 8.147 1.068 1.00 50.00 H -ATOM 1568 2HB LEU A 94 5.250 9.283 2.222 1.00 50.00 H -ATOM 1569 HG LEU A 94 7.490 10.473 2.279 1.00 50.00 H -ATOM 1570 1HD1 LEU A 94 9.005 10.123 0.422 1.00 50.00 H -ATOM 1571 2HD1 LEU A 94 8.886 8.674 1.448 1.00 50.00 H -ATOM 1572 3HD1 LEU A 94 8.039 8.729 -0.116 1.00 50.00 H -ATOM 1573 1HD2 LEU A 94 7.158 11.592 0.129 1.00 50.00 H -ATOM 1574 2HD2 LEU A 94 6.105 10.262 -0.408 1.00 50.00 H -ATOM 1575 3HD2 LEU A 94 5.604 11.302 0.946 1.00 50.00 H -ATOM 1576 N SER A 95 4.958 6.336 3.604 1.00 0.00 N -ATOM 1577 CA SER A 95 3.847 5.828 4.384 1.00 0.00 C -ATOM 1578 C SER A 95 4.325 5.392 5.741 1.00 0.00 C -ATOM 1579 O SER A 95 3.702 5.678 6.761 1.00 0.00 O -ATOM 1580 CB SER A 95 3.114 4.723 3.625 1.00 0.00 C -ATOM 1581 OG SER A 95 3.915 3.567 3.488 1.00 0.00 O -ATOM 1582 H SER A 95 5.255 5.829 2.783 1.00 0.00 H -ATOM 1583 HA SER A 95 3.148 6.646 4.565 1.00 0.00 H -ATOM 1584 1HB SER A 95 2.196 4.466 4.153 1.00 0.00 H -ATOM 1585 2HB SER A 95 2.832 5.086 2.637 1.00 0.00 H -ATOM 1586 HG SER A 95 4.748 3.770 3.920 1.00 0.00 H -ATOM 1587 N GLY A 96 5.506 4.771 5.784 1.00 50.00 N -ATOM 1588 CA GLY A 96 6.098 4.361 7.055 1.00 50.00 C -ATOM 1589 C GLY A 96 6.449 5.549 7.930 1.00 50.00 C -ATOM 1590 O GLY A 96 6.268 5.521 9.175 1.00 50.00 O -ATOM 1591 H GLY A 96 6.002 4.579 4.926 1.00 50.00 H -ATOM 1592 1HA GLY A 96 5.401 3.715 7.589 1.00 50.00 H -ATOM 1593 2HA GLY A 96 6.997 3.776 6.865 1.00 50.00 H -ATOM 1594 N TYR A 97 7.019 6.592 7.308 1.00 50.00 N -ATOM 1595 CA TYR A 97 7.433 7.742 8.066 1.00 50.00 C -ATOM 1596 C TYR A 97 6.212 8.367 8.744 1.00 50.00 C -ATOM 1597 O TYR A 97 6.284 8.746 9.913 1.00 50.00 O -ATOM 1598 CB TYR A 97 8.172 8.772 7.189 1.00 50.00 C -ATOM 1599 CG TYR A 97 8.059 10.160 7.678 1.00 50.00 C -ATOM 1600 CD1 TYR A 97 8.764 10.612 8.771 1.00 50.00 C -ATOM 1601 CD2 TYR A 97 7.182 11.029 7.076 1.00 50.00 C -ATOM 1602 CE1 TYR A 97 8.594 11.894 9.244 1.00 50.00 C -ATOM 1603 CE2 TYR A 97 7.035 12.315 7.529 1.00 50.00 C -ATOM 1604 CZ TYR A 97 7.729 12.737 8.617 1.00 50.00 C -ATOM 1605 OH TYR A 97 7.533 14.075 8.988 1.00 50.00 O -ATOM 1606 H TYR A 97 7.164 6.584 6.308 1.00 50.00 H -ATOM 1607 HA TYR A 97 8.118 7.413 8.848 1.00 50.00 H -ATOM 1608 1HB TYR A 97 9.231 8.514 7.138 1.00 50.00 H -ATOM 1609 2HB TYR A 97 7.777 8.736 6.174 1.00 50.00 H -ATOM 1610 HD1 TYR A 97 9.470 9.952 9.276 1.00 50.00 H -ATOM 1611 HD2 TYR A 97 6.587 10.700 6.224 1.00 50.00 H -ATOM 1612 HE1 TYR A 97 9.160 12.235 10.110 1.00 50.00 H -ATOM 1613 HE2 TYR A 97 6.359 13.000 7.016 1.00 50.00 H -ATOM 1614 HH TYR A 97 6.912 14.486 8.382 1.00 50.00 H -ATOM 1615 N VAL A 98 5.121 8.536 7.979 1.00 50.00 N -ATOM 1616 CA VAL A 98 3.936 9.203 8.488 1.00 50.00 C -ATOM 1617 C VAL A 98 3.231 8.366 9.557 1.00 50.00 C -ATOM 1618 O VAL A 98 2.783 8.892 10.567 1.00 50.00 O -ATOM 1619 CB VAL A 98 2.964 9.510 7.343 1.00 50.00 C -ATOM 1620 CG1 VAL A 98 1.635 10.010 7.908 1.00 50.00 C -ATOM 1621 CG2 VAL A 98 3.572 10.570 6.405 1.00 50.00 C -ATOM 1622 H VAL A 98 5.123 8.193 7.029 1.00 50.00 H -ATOM 1623 HA VAL A 98 4.240 10.143 8.951 1.00 50.00 H -ATOM 1624 HB VAL A 98 2.776 8.594 6.783 1.00 50.00 H -ATOM 1625 1HG1 VAL A 98 0.949 10.226 7.088 1.00 50.00 H -ATOM 1626 2HG1 VAL A 98 1.202 9.244 8.551 1.00 50.00 H -ATOM 1627 3HG1 VAL A 98 1.804 10.918 8.487 1.00 50.00 H -ATOM 1628 1HG2 VAL A 98 2.875 10.781 5.594 1.00 50.00 H -ATOM 1629 2HG2 VAL A 98 3.765 11.485 6.966 1.00 50.00 H -ATOM 1630 3HG2 VAL A 98 4.508 10.195 5.990 1.00 50.00 H -ATOM 1631 N GLN A 99 3.117 7.061 9.297 1.00 0.00 N -ATOM 1632 CA GLN A 99 2.573 6.134 10.258 1.00 0.00 C -ATOM 1633 C GLN A 99 3.285 6.192 11.577 1.00 0.00 C -ATOM 1634 O GLN A 99 2.626 6.250 12.649 1.00 0.00 O -ATOM 1635 CB GLN A 99 2.589 4.716 9.750 1.00 0.00 C -ATOM 1636 CG GLN A 99 1.854 3.731 10.697 1.00 0.00 C -ATOM 1637 CD GLN A 99 0.416 4.118 11.000 1.00 0.00 C -ATOM 1638 OE1 GLN A 99 -0.284 4.651 10.134 1.00 0.00 O -ATOM 1639 NE2 GLN A 99 -0.012 3.926 12.263 1.00 0.00 N -ATOM 1640 H GLN A 99 3.422 6.715 8.398 1.00 0.00 H -ATOM 1641 HA GLN A 99 1.536 6.407 10.453 1.00 0.00 H -ATOM 1642 1HB GLN A 99 2.117 4.676 8.768 1.00 0.00 H -ATOM 1643 2HB GLN A 99 3.620 4.384 9.631 1.00 0.00 H -ATOM 1644 1HG GLN A 99 1.836 2.744 10.235 1.00 0.00 H -ATOM 1645 2HG GLN A 99 2.388 3.689 11.646 1.00 0.00 H -ATOM 1646 1HE2 GLN A 99 -0.951 4.164 12.515 1.00 0.00 H -ATOM 1647 2HE2 GLN A 99 0.608 3.545 12.949 1.00 0.00 H -ATOM 1648 N GLN A 100 4.621 6.158 11.545 1.00 50.00 N -ATOM 1649 CA GLN A 100 5.361 6.130 12.809 1.00 50.00 C -ATOM 1650 C GLN A 100 5.263 7.450 13.534 1.00 50.00 C -ATOM 1651 O GLN A 100 5.193 7.467 14.752 1.00 50.00 O -ATOM 1652 CB GLN A 100 6.800 5.663 12.690 1.00 50.00 C -ATOM 1653 CG GLN A 100 7.757 6.510 11.858 1.00 50.00 C -ATOM 1654 CD GLN A 100 8.277 7.750 12.549 1.00 50.00 C -ATOM 1655 OE1 GLN A 100 8.505 7.726 13.780 1.00 50.00 O -ATOM 1656 NE2 GLN A 100 8.376 8.910 11.764 1.00 50.00 N -ATOM 1657 H GLN A 100 5.133 6.151 10.675 1.00 50.00 H -ATOM 1658 HA GLN A 100 4.863 5.435 13.486 1.00 50.00 H -ATOM 1659 1HB GLN A 100 7.244 5.595 13.683 1.00 50.00 H -ATOM 1660 2HB GLN A 100 6.824 4.665 12.252 1.00 50.00 H -ATOM 1661 1HG GLN A 100 8.625 5.905 11.593 1.00 50.00 H -ATOM 1662 2HG GLN A 100 7.243 6.840 10.956 1.00 50.00 H -ATOM 1663 1HE2 GLN A 100 8.714 9.761 12.168 1.00 50.00 H -ATOM 1664 2HE2 GLN A 100 8.109 8.887 10.801 1.00 50.00 H -ATOM 1665 N LYS A 101 5.195 8.559 12.787 1.00 50.00 N -ATOM 1666 CA LYS A 101 5.036 9.880 13.404 1.00 50.00 C -ATOM 1667 C LYS A 101 3.759 9.983 14.261 1.00 50.00 C -ATOM 1668 O LYS A 101 3.799 10.566 15.295 1.00 50.00 O -ATOM 1669 CB LYS A 101 4.986 10.981 12.345 1.00 50.00 C -ATOM 1670 CG LYS A 101 4.994 12.393 12.892 1.00 50.00 C -ATOM 1671 CD LYS A 101 6.126 12.650 13.882 1.00 50.00 C -ATOM 1672 CE LYS A 101 7.505 12.199 13.400 1.00 50.00 C -ATOM 1673 NZ LYS A 101 8.505 12.410 14.493 1.00 50.00 N -ATOM 1674 H LYS A 101 5.254 8.490 11.781 1.00 50.00 H -ATOM 1675 HA LYS A 101 5.894 10.065 14.051 1.00 50.00 H -ATOM 1676 1HB LYS A 101 5.841 10.882 11.676 1.00 50.00 H -ATOM 1677 2HB LYS A 101 4.085 10.866 11.743 1.00 50.00 H -ATOM 1678 1HG LYS A 101 5.099 13.101 12.069 1.00 50.00 H -ATOM 1679 2HG LYS A 101 4.051 12.591 13.400 1.00 50.00 H -ATOM 1680 1HD LYS A 101 6.189 13.718 14.094 1.00 50.00 H -ATOM 1681 2HD LYS A 101 5.921 12.124 14.814 1.00 50.00 H -ATOM 1682 1HE LYS A 101 7.467 11.146 13.124 1.00 50.00 H -ATOM 1683 2HE LYS A 101 7.788 12.773 12.518 1.00 50.00 H -ATOM 1684 1HZ LYS A 101 9.418 12.113 14.177 1.00 50.00 H -ATOM 1685 2HZ LYS A 101 8.536 13.390 14.737 1.00 50.00 H -ATOM 1686 3HZ LYS A 101 8.238 11.870 15.303 1.00 50.00 H -ATOM 1687 N PHE A 102 2.637 9.447 13.775 1.00 50.00 N -ATOM 1688 CA PHE A 102 1.344 9.574 14.456 1.00 50.00 C -ATOM 1689 C PHE A 102 1.180 8.542 15.549 1.00 50.00 C -ATOM 1690 O PHE A 102 0.638 8.855 16.566 1.00 50.00 O -ATOM 1691 CB PHE A 102 0.153 9.362 13.521 1.00 50.00 C -ATOM 1692 CG PHE A 102 -0.045 10.430 12.471 1.00 50.00 C -ATOM 1693 CD1 PHE A 102 0.617 11.656 12.514 1.00 50.00 C -ATOM 1694 CD2 PHE A 102 -0.974 10.205 11.437 1.00 50.00 C -ATOM 1695 CE1 PHE A 102 0.386 12.619 11.531 1.00 50.00 C -ATOM 1696 CE2 PHE A 102 -1.213 11.167 10.462 1.00 50.00 C -ATOM 1697 CZ PHE A 102 -0.529 12.374 10.510 1.00 50.00 C -ATOM 1698 H PHE A 102 2.687 8.936 12.905 1.00 50.00 H -ATOM 1699 HA PHE A 102 1.264 10.583 14.862 1.00 50.00 H -ATOM 1700 1HB PHE A 102 0.264 8.412 13.000 1.00 50.00 H -ATOM 1701 2HB PHE A 102 -0.764 9.309 14.106 1.00 50.00 H -ATOM 1702 HD1 PHE A 102 1.319 11.854 13.325 1.00 50.00 H -ATOM 1703 HD2 PHE A 102 -1.507 9.254 11.407 1.00 50.00 H -ATOM 1704 HE1 PHE A 102 0.923 13.567 11.561 1.00 50.00 H -ATOM 1705 HE2 PHE A 102 -1.932 10.980 9.664 1.00 50.00 H -ATOM 1706 HZ PHE A 102 -0.711 13.130 9.747 1.00 50.00 H -ATOM 1707 N SER A 103 1.658 7.318 15.311 1.00 0.00 N -ATOM 1708 CA SER A 103 1.318 6.154 16.117 1.00 0.00 C -ATOM 1709 C SER A 103 2.446 5.210 16.531 1.00 0.00 C -ATOM 1710 O SER A 103 2.189 4.162 17.102 1.00 0.00 O -ATOM 1711 CB SER A 103 0.340 5.342 15.277 1.00 0.00 C -ATOM 1712 OG SER A 103 -0.765 6.169 15.049 1.00 0.00 O -ATOM 1713 H SER A 103 2.287 7.208 14.528 1.00 0.00 H -ATOM 1714 HA SER A 103 0.847 6.497 17.039 1.00 0.00 H -ATOM 1715 1HB SER A 103 0.822 5.040 14.348 1.00 0.00 H -ATOM 1716 2HB SER A 103 0.066 4.434 15.813 1.00 0.00 H -ATOM 1717 HG SER A 103 -0.571 6.998 15.492 1.00 0.00 H -ATOM 1718 N GLY A 104 3.690 5.532 16.159 1.00 0.00 N -ATOM 1719 CA GLY A 104 4.834 4.727 16.537 1.00 0.00 C -ATOM 1720 C GLY A 104 5.185 3.608 15.559 1.00 0.00 C -ATOM 1721 O GLY A 104 4.583 3.433 14.502 1.00 0.00 O -ATOM 1722 H GLY A 104 3.835 6.360 15.599 1.00 0.00 H -ATOM 1723 1HA GLY A 104 5.711 5.366 16.639 1.00 0.00 H -ATOM 1724 2HA GLY A 104 4.653 4.272 17.510 1.00 0.00 H -ATOM 1725 N PRO A 105 6.247 2.845 15.880 1.00 0.00 N -ATOM 1726 CA PRO A 105 6.894 1.982 14.897 1.00 0.00 C -ATOM 1727 C PRO A 105 6.271 0.556 14.641 1.00 0.00 C -ATOM 1728 O PRO A 105 6.782 -0.215 13.823 1.00 0.00 O -ATOM 1729 CB PRO A 105 8.279 1.860 15.514 1.00 0.00 C -ATOM 1730 CG PRO A 105 7.992 1.872 17.006 1.00 0.00 C -ATOM 1731 CD PRO A 105 6.947 2.916 17.164 1.00 0.00 C -ATOM 1732 HA PRO A 105 6.916 2.495 13.924 1.00 0.00 H -ATOM 1733 1HB PRO A 105 8.764 0.935 15.170 1.00 0.00 H -ATOM 1734 2HB PRO A 105 8.913 2.697 15.184 1.00 0.00 H -ATOM 1735 1HG PRO A 105 7.655 0.878 17.336 1.00 0.00 H -ATOM 1736 2HG PRO A 105 8.910 2.099 17.568 1.00 0.00 H -ATOM 1737 1HD PRO A 105 6.292 2.655 18.009 1.00 0.00 H -ATOM 1738 2HD PRO A 105 7.426 3.892 17.331 1.00 0.00 H -ATOM 1739 N TRP A 106 5.213 0.216 15.376 1.00 0.00 N -ATOM 1740 CA TRP A 106 4.684 -1.155 15.418 1.00 0.00 C -ATOM 1741 C TRP A 106 3.569 -1.285 14.440 1.00 0.00 C -ATOM 1742 O TRP A 106 2.377 -1.390 14.821 1.00 0.00 O -ATOM 1743 CB TRP A 106 4.198 -1.493 16.827 1.00 0.00 C -ATOM 1744 CG TRP A 106 5.284 -1.353 17.783 1.00 0.00 C -ATOM 1745 CD1 TRP A 106 5.433 -0.364 18.695 1.00 0.00 C -ATOM 1746 CD2 TRP A 106 6.444 -2.181 17.881 1.00 0.00 C -ATOM 1747 NE1 TRP A 106 6.584 -0.564 19.425 1.00 0.00 N -ATOM 1748 CE2 TRP A 106 7.248 -1.652 18.918 1.00 0.00 C -ATOM 1749 CE3 TRP A 106 6.885 -3.313 17.205 1.00 0.00 C -ATOM 1750 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 0.00 C -ATOM 1751 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 0.00 C -ATOM 1752 CH2 TRP A 106 8.882 -3.325 18.625 1.00 0.00 C -ATOM 1753 H TRP A 106 4.762 0.935 15.924 1.00 0.00 H -ATOM 1754 HA TRP A 106 5.485 -1.843 15.150 1.00 0.00 H -ATOM 1755 1HB TRP A 106 3.376 -0.830 17.097 1.00 0.00 H -ATOM 1756 2HB TRP A 106 3.815 -2.513 16.845 1.00 0.00 H -ATOM 1757 HD1 TRP A 106 4.743 0.467 18.831 1.00 0.00 H -ATOM 1758 HE1 TRP A 106 6.891 -0.002 20.206 1.00 0.00 H -ATOM 1759 HE3 TRP A 106 6.289 -3.760 16.409 1.00 0.00 H -ATOM 1760 HZ2 TRP A 106 9.077 -1.796 20.085 1.00 0.00 H -ATOM 1761 HZ3 TRP A 106 8.485 -4.746 17.030 1.00 0.00 H -ATOM 1762 HH2 TRP A 106 9.822 -3.797 18.912 1.00 0.00 H -ATOM 1763 N PHE A 107 3.954 -1.246 13.161 1.00 0.00 N -ATOM 1764 CA PHE A 107 3.037 -1.364 12.053 1.00 0.00 C -ATOM 1765 C PHE A 107 3.677 -2.201 10.974 1.00 0.00 C -ATOM 1766 O PHE A 107 4.894 -2.443 10.980 1.00 0.00 O -ATOM 1767 CB PHE A 107 2.687 0.034 11.539 1.00 0.00 C -ATOM 1768 CG PHE A 107 3.829 0.756 10.910 1.00 0.00 C -ATOM 1769 CD1 PHE A 107 4.696 1.478 11.682 1.00 0.00 C -ATOM 1770 CD2 PHE A 107 4.037 0.689 9.550 1.00 0.00 C -ATOM 1771 CE1 PHE A 107 5.756 2.154 11.124 1.00 0.00 C -ATOM 1772 CE2 PHE A 107 5.100 1.362 8.973 1.00 0.00 C -ATOM 1773 CZ PHE A 107 5.969 2.075 9.775 1.00 0.00 C -ATOM 1774 H PHE A 107 4.939 -1.128 12.974 1.00 0.00 H -ATOM 1775 HA PHE A 107 2.129 -1.856 12.406 1.00 0.00 H -ATOM 1776 1HB PHE A 107 1.888 -0.039 10.802 1.00 0.00 H -ATOM 1777 2HB PHE A 107 2.317 0.642 12.363 1.00 0.00 H -ATOM 1778 HD1 PHE A 107 4.543 1.517 12.761 1.00 0.00 H -ATOM 1779 HD2 PHE A 107 3.346 0.124 8.924 1.00 0.00 H -ATOM 1780 HE1 PHE A 107 6.418 2.746 11.756 1.00 0.00 H -ATOM 1781 HE2 PHE A 107 5.254 1.333 7.894 1.00 0.00 H -ATOM 1782 HZ PHE A 107 6.826 2.576 9.327 1.00 0.00 H -ATOM 1783 N GLY A 108 2.854 -2.667 10.035 1.00 0.00 N -ATOM 1784 CA GLY A 108 3.360 -3.393 8.904 1.00 0.00 C -ATOM 1785 C GLY A 108 2.289 -3.574 7.875 1.00 0.00 C -ATOM 1786 O GLY A 108 1.119 -3.369 8.138 1.00 0.00 O -ATOM 1787 H GLY A 108 1.859 -2.511 10.114 1.00 0.00 H -ATOM 1788 1HA GLY A 108 4.204 -2.854 8.474 1.00 0.00 H -ATOM 1789 2HA GLY A 108 3.731 -4.363 9.231 1.00 0.00 H -ATOM 1790 N GLY A 109 2.701 -3.993 6.686 1.00 0.00 N -ATOM 1791 CA GLY A 109 1.759 -4.292 5.640 1.00 0.00 C -ATOM 1792 C GLY A 109 1.992 -3.517 4.361 1.00 0.00 C -ATOM 1793 O GLY A 109 2.476 -2.377 4.377 1.00 0.00 O -ATOM 1794 H GLY A 109 3.688 -4.106 6.506 1.00 0.00 H -ATOM 1795 1HA GLY A 109 1.800 -5.356 5.406 1.00 0.00 H -ATOM 1796 2HA GLY A 109 0.749 -4.079 5.988 1.00 0.00 H -ATOM 1797 N LEU A 110 1.579 -4.134 3.256 1.00 0.00 N -ATOM 1798 CA LEU A 110 1.649 -3.572 1.925 1.00 0.00 C -ATOM 1799 C LEU A 110 0.579 -2.500 1.527 1.00 0.00 C -ATOM 1800 O LEU A 110 0.644 -1.899 0.480 1.00 0.00 O -ATOM 1801 CB LEU A 110 1.690 -4.738 0.905 1.00 0.00 C -ATOM 1802 CG LEU A 110 2.211 -4.363 -0.479 1.00 0.00 C -ATOM 1803 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 0.00 C -ATOM 1804 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 0.00 C -ATOM 1805 H LEU A 110 1.193 -5.059 3.380 1.00 0.00 H -ATOM 1806 HA LEU A 110 2.562 -2.983 1.846 1.00 0.00 H -ATOM 1807 1HB LEU A 110 2.326 -5.526 1.304 1.00 0.00 H -ATOM 1808 2HB LEU A 110 0.682 -5.136 0.791 1.00 0.00 H -ATOM 1809 HG LEU A 110 1.627 -3.531 -0.875 1.00 0.00 H -ATOM 1810 1HD1 LEU A 110 4.058 -3.643 -1.354 1.00 0.00 H -ATOM 1811 2HD1 LEU A 110 3.749 -3.047 0.294 1.00 0.00 H -ATOM 1812 3HD1 LEU A 110 4.283 -4.726 0.040 1.00 0.00 H -ATOM 1813 1HD2 LEU A 110 2.424 -5.367 -2.375 1.00 0.00 H -ATOM 1814 2HD2 LEU A 110 2.642 -6.420 -0.957 1.00 0.00 H -ATOM 1815 3HD2 LEU A 110 1.011 -5.884 -1.424 1.00 0.00 H -ATOM 1816 N SER A 111 -0.387 -2.234 2.387 1.00 0.00 N -ATOM 1817 CA SER A 111 -1.472 -1.338 2.044 1.00 0.00 C -ATOM 1818 C SER A 111 -1.076 0.110 1.781 1.00 0.00 C -ATOM 1819 O SER A 111 -1.814 0.816 1.081 1.00 0.00 O -ATOM 1820 CB SER A 111 -2.581 -1.382 3.109 1.00 0.00 C -ATOM 1821 OG SER A 111 -2.151 -0.892 4.390 1.00 0.00 O -ATOM 1822 H SER A 111 -0.372 -2.661 3.302 1.00 0.00 H -ATOM 1823 HA SER A 111 -1.897 -1.658 1.091 1.00 0.00 H -ATOM 1824 1HB SER A 111 -3.429 -0.785 2.776 1.00 0.00 H -ATOM 1825 2HB SER A 111 -2.930 -2.407 3.229 1.00 0.00 H -ATOM 1826 HG SER A 111 -1.231 -0.639 4.281 1.00 0.00 H -ATOM 1827 N GLY A 112 0.062 0.562 2.330 1.00 0.00 N -ATOM 1828 CA GLY A 112 0.560 1.900 2.027 1.00 0.00 C -ATOM 1829 C GLY A 112 0.838 1.959 0.542 1.00 0.00 C -ATOM 1830 O GLY A 112 0.421 2.898 -0.188 1.00 0.00 O -ATOM 1831 H GLY A 112 0.586 -0.026 2.962 1.00 0.00 H -ATOM 1832 1HA GLY A 112 -0.182 2.641 2.325 1.00 0.00 H -ATOM 1833 2HA GLY A 112 1.459 2.094 2.610 1.00 0.00 H -ATOM 1834 N VAL A 113 1.541 0.921 0.083 1.00 0.00 N -ATOM 1835 CA VAL A 113 1.905 0.734 -1.322 1.00 0.00 C -ATOM 1836 C VAL A 113 0.661 0.511 -2.174 1.00 0.00 C -ATOM 1837 O VAL A 113 0.526 1.041 -3.214 1.00 0.00 O -ATOM 1838 CB VAL A 113 2.893 -0.436 -1.510 1.00 0.00 C -ATOM 1839 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 0.00 C -ATOM 1840 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 0.00 C -ATOM 1841 H VAL A 113 1.831 0.232 0.762 1.00 0.00 H -ATOM 1842 HA VAL A 113 2.390 1.644 -1.678 1.00 0.00 H -ATOM 1843 HB VAL A 113 2.452 -1.342 -1.094 1.00 0.00 H -ATOM 1844 1HG1 VAL A 113 3.847 -1.475 -3.101 1.00 0.00 H -ATOM 1845 2HG1 VAL A 113 2.211 -0.882 -3.474 1.00 0.00 H -ATOM 1846 3HG1 VAL A 113 3.577 0.258 -3.400 1.00 0.00 H -ATOM 1847 1HG2 VAL A 113 4.878 -1.023 -0.968 1.00 0.00 H -ATOM 1848 2HG2 VAL A 113 4.666 0.726 -1.220 1.00 0.00 H -ATOM 1849 3HG2 VAL A 113 4.036 -0.043 0.256 1.00 0.00 H -ATOM 1850 N VAL A 114 -0.261 -0.316 -1.695 1.00 0.00 N -ATOM 1851 CA VAL A 114 -1.477 -0.552 -2.419 1.00 0.00 C -ATOM 1852 C VAL A 114 -2.272 0.729 -2.615 1.00 0.00 C -ATOM 1853 O VAL A 114 -2.798 0.945 -3.730 1.00 0.00 O -ATOM 1854 CB VAL A 114 -2.322 -1.630 -1.749 1.00 0.00 C -ATOM 1855 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 0.00 C -ATOM 1856 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 0.00 C -ATOM 1857 H VAL A 114 -0.114 -0.787 -0.814 1.00 0.00 H -ATOM 1858 HA VAL A 114 -1.221 -0.894 -3.423 1.00 0.00 H -ATOM 1859 HB VAL A 114 -2.413 -1.400 -0.687 1.00 0.00 H -ATOM 1860 1HG1 VAL A 114 -4.286 -2.448 -1.852 1.00 0.00 H -ATOM 1861 2HG1 VAL A 114 -4.186 -0.707 -2.205 1.00 0.00 H -ATOM 1862 3HG1 VAL A 114 -3.629 -1.893 -3.410 1.00 0.00 H -ATOM 1863 1HG2 VAL A 114 -2.236 -3.742 -1.459 1.00 0.00 H -ATOM 1864 2HG2 VAL A 114 -1.545 -3.176 -2.998 1.00 0.00 H -ATOM 1865 3HG2 VAL A 114 -0.652 -2.932 -1.479 1.00 0.00 H -ATOM 1866 N TYR A 115 -2.367 1.559 -1.558 1.00 50.00 N -ATOM 1867 CA TYR A 115 -3.098 2.837 -1.643 1.00 50.00 C -ATOM 1868 C TYR A 115 -2.453 3.761 -2.697 1.00 50.00 C -ATOM 1869 O TYR A 115 -3.165 4.417 -3.438 1.00 50.00 O -ATOM 1870 CB TYR A 115 -3.242 3.587 -0.295 1.00 50.00 C -ATOM 1871 CG TYR A 115 -4.426 3.139 0.594 1.00 50.00 C -ATOM 1872 CD1 TYR A 115 -4.692 1.801 0.806 1.00 50.00 C -ATOM 1873 CD2 TYR A 115 -5.237 4.072 1.251 1.00 50.00 C -ATOM 1874 CE1 TYR A 115 -5.718 1.388 1.600 1.00 50.00 C -ATOM 1875 CE2 TYR A 115 -6.269 3.667 2.078 1.00 50.00 C -ATOM 1876 CZ TYR A 115 -6.505 2.311 2.254 1.00 50.00 C -ATOM 1877 OH TYR A 115 -7.528 1.845 3.075 1.00 50.00 O -ATOM 1878 H TYR A 115 -1.927 1.301 -0.686 1.00 50.00 H -ATOM 1879 HA TYR A 115 -4.109 2.634 -1.997 1.00 50.00 H -ATOM 1880 1HB TYR A 115 -2.331 3.460 0.291 1.00 50.00 H -ATOM 1881 2HB TYR A 115 -3.364 4.653 -0.483 1.00 50.00 H -ATOM 1882 HD1 TYR A 115 -4.072 1.040 0.331 1.00 50.00 H -ATOM 1883 HD2 TYR A 115 -5.061 5.139 1.114 1.00 50.00 H -ATOM 1884 HE1 TYR A 115 -5.900 0.324 1.746 1.00 50.00 H -ATOM 1885 HE2 TYR A 115 -6.887 4.410 2.582 1.00 50.00 H -ATOM 1886 HH TYR A 115 -7.994 2.592 3.459 1.00 50.00 H -ATOM 1887 N ALA A 116 -1.111 3.810 -2.734 1.00 50.00 N -ATOM 1888 CA ALA A 116 -0.368 4.586 -3.744 1.00 50.00 C -ATOM 1889 C ALA A 116 -0.721 4.102 -5.168 1.00 50.00 C -ATOM 1890 O ALA A 116 -1.009 4.899 -6.057 1.00 50.00 O -ATOM 1891 CB ALA A 116 1.121 4.451 -3.480 1.00 50.00 C -ATOM 1892 H ALA A 116 -0.597 3.290 -2.037 1.00 50.00 H -ATOM 1893 HA ALA A 116 -0.660 5.632 -3.650 1.00 50.00 H -ATOM 1894 1HB ALA A 116 1.676 5.023 -4.224 1.00 50.00 H -ATOM 1895 2HB ALA A 116 1.350 4.832 -2.485 1.00 50.00 H -ATOM 1896 3HB ALA A 116 1.407 3.402 -3.541 1.00 50.00 H -ATOM 1897 N LEU A 117 -0.795 2.779 -5.351 1.00 0.00 N -ATOM 1898 CA LEU A 117 -1.112 2.230 -6.673 1.00 0.00 C -ATOM 1899 C LEU A 117 -2.516 2.597 -7.107 1.00 0.00 C -ATOM 1900 O LEU A 117 -2.762 2.976 -8.280 1.00 0.00 O -ATOM 1901 CB LEU A 117 -0.932 0.700 -6.685 1.00 0.00 C -ATOM 1902 CG LEU A 117 0.516 0.282 -6.612 1.00 0.00 C -ATOM 1903 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 0.00 C -ATOM 1904 CD2 LEU A 117 1.258 0.743 -7.862 1.00 0.00 C -ATOM 1905 H LEU A 117 -0.633 2.146 -4.581 1.00 0.00 H -ATOM 1906 HA LEU A 117 -0.428 2.665 -7.401 1.00 0.00 H -ATOM 1907 1HB LEU A 117 -1.470 0.280 -5.836 1.00 0.00 H -ATOM 1908 2HB LEU A 117 -1.374 0.305 -7.600 1.00 0.00 H -ATOM 1909 HG LEU A 117 0.981 0.732 -5.734 1.00 0.00 H -ATOM 1910 1HD1 LEU A 117 1.618 -1.550 -6.416 1.00 0.00 H -ATOM 1911 2HD1 LEU A 117 0.058 -1.532 -5.560 1.00 0.00 H -ATOM 1912 3HD1 LEU A 117 0.100 -1.697 -7.332 1.00 0.00 H -ATOM 1913 1HD2 LEU A 117 2.303 0.437 -7.799 1.00 0.00 H -ATOM 1914 2HD2 LEU A 117 0.801 0.293 -8.743 1.00 0.00 H -ATOM 1915 3HD2 LEU A 117 1.202 1.829 -7.939 1.00 0.00 H -ATOM 1916 N MET A 118 -3.449 2.474 -6.160 1.00 50.00 N -ATOM 1917 CA MET A 118 -4.820 2.841 -6.418 1.00 50.00 C -ATOM 1918 C MET A 118 -4.951 4.264 -6.881 1.00 50.00 C -ATOM 1919 O MET A 118 -5.596 4.530 -7.917 1.00 50.00 O -ATOM 1920 CB MET A 118 -5.656 2.626 -5.186 1.00 50.00 C -ATOM 1921 CG MET A 118 -6.021 1.164 -4.955 1.00 50.00 C -ATOM 1922 SD MET A 118 -6.810 1.082 -3.319 1.00 50.00 S -ATOM 1923 CE MET A 118 -7.400 -0.602 -3.347 1.00 50.00 C -ATOM 1924 H MET A 118 -3.198 2.120 -5.248 1.00 50.00 H -ATOM 1925 HA MET A 118 -5.203 2.207 -7.217 1.00 50.00 H -ATOM 1926 1HB MET A 118 -5.117 2.989 -4.313 1.00 50.00 H -ATOM 1927 2HB MET A 118 -6.577 3.204 -5.266 1.00 50.00 H -ATOM 1928 1HG MET A 118 -6.695 0.829 -5.742 1.00 50.00 H -ATOM 1929 2HG MET A 118 -5.119 0.553 -4.996 1.00 50.00 H -ATOM 1930 1HE MET A 118 -7.914 -0.823 -2.411 1.00 50.00 H -ATOM 1931 2HE MET A 118 -8.091 -0.732 -4.181 1.00 50.00 H -ATOM 1932 3HE MET A 118 -6.556 -1.282 -3.467 1.00 50.00 H -ATOM 1933 N GLY A 119 -4.352 5.179 -6.117 1.00 50.00 N -ATOM 1934 CA GLY A 119 -4.365 6.586 -6.476 1.00 50.00 C -ATOM 1935 C GLY A 119 -3.615 6.890 -7.798 1.00 50.00 C -ATOM 1936 O GLY A 119 -4.042 7.720 -8.598 1.00 50.00 O -ATOM 1937 H GLY A 119 -3.879 4.891 -5.272 1.00 50.00 H -ATOM 1938 1HA GLY A 119 -5.396 6.927 -6.575 1.00 50.00 H -ATOM 1939 2HA GLY A 119 -3.910 7.169 -5.677 1.00 50.00 H -ATOM 1940 N TYR A 120 -2.474 6.216 -7.991 1.00 50.00 N -ATOM 1941 CA TYR A 120 -1.667 6.360 -9.172 1.00 50.00 C -ATOM 1942 C TYR A 120 -2.455 5.990 -10.442 1.00 50.00 C -ATOM 1943 O TYR A 120 -2.555 6.813 -11.414 1.00 50.00 O -ATOM 1944 CB TYR A 120 -0.366 5.541 -9.092 1.00 50.00 C -ATOM 1945 CG TYR A 120 0.527 5.899 -10.253 1.00 50.00 C -ATOM 1946 CD1 TYR A 120 1.366 7.021 -10.228 1.00 50.00 C -ATOM 1947 CD2 TYR A 120 0.494 5.145 -11.404 1.00 50.00 C -ATOM 1948 CE1 TYR A 120 2.161 7.342 -11.326 1.00 50.00 C -ATOM 1949 CE2 TYR A 120 1.257 5.448 -12.495 1.00 50.00 C -ATOM 1950 CZ TYR A 120 2.091 6.546 -12.464 1.00 50.00 C -ATOM 1951 OH TYR A 120 2.786 6.756 -13.594 1.00 50.00 O -ATOM 1952 H TYR A 120 -2.176 5.579 -7.266 1.00 50.00 H -ATOM 1953 HA TYR A 120 -1.394 7.410 -9.278 1.00 50.00 H -ATOM 1954 1HB TYR A 120 0.137 5.749 -8.147 1.00 50.00 H -ATOM 1955 2HB TYR A 120 -0.604 4.478 -9.109 1.00 50.00 H -ATOM 1956 HD1 TYR A 120 1.402 7.655 -9.342 1.00 50.00 H -ATOM 1957 HD2 TYR A 120 -0.158 4.273 -11.466 1.00 50.00 H -ATOM 1958 HE1 TYR A 120 2.809 8.218 -11.292 1.00 50.00 H -ATOM 1959 HE2 TYR A 120 1.205 4.823 -13.387 1.00 50.00 H -ATOM 1960 HH TYR A 120 2.564 6.077 -14.236 1.00 50.00 H -ATOM 1961 N VAL A 121 -2.962 4.745 -10.455 1.00 50.00 N -ATOM 1962 CA VAL A 121 -3.591 4.196 -11.660 1.00 50.00 C -ATOM 1963 C VAL A 121 -4.857 4.987 -11.947 1.00 50.00 C -ATOM 1964 O VAL A 121 -5.111 5.409 -13.091 1.00 50.00 O -ATOM 1965 CB VAL A 121 -3.858 2.680 -11.581 1.00 50.00 C -ATOM 1966 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 50.00 C -ATOM 1967 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 50.00 C -ATOM 1968 H VAL A 121 -2.911 4.174 -9.623 1.00 50.00 H -ATOM 1969 HA VAL A 121 -2.922 4.360 -12.505 1.00 50.00 H -ATOM 1970 HB VAL A 121 -4.460 2.472 -10.696 1.00 50.00 H -ATOM 1971 1HG1 VAL A 121 -4.861 1.123 -12.699 1.00 50.00 H -ATOM 1972 2HG1 VAL A 121 -5.646 2.716 -12.798 1.00 50.00 H -ATOM 1973 3HG1 VAL A 121 -4.148 2.404 -13.707 1.00 50.00 H -ATOM 1974 1HG2 VAL A 121 -2.754 0.846 -11.431 1.00 50.00 H -ATOM 1975 2HG2 VAL A 121 -1.941 2.123 -12.369 1.00 50.00 H -ATOM 1976 3HG2 VAL A 121 -2.008 2.227 -10.593 1.00 50.00 H -ATOM 1977 N TRP A 122 -5.635 5.251 -10.896 1.00 50.00 N -ATOM 1978 CA TRP A 122 -6.866 5.995 -11.078 1.00 50.00 C -ATOM 1979 C TRP A 122 -6.604 7.400 -11.700 1.00 50.00 C -ATOM 1980 O TRP A 122 -7.206 7.769 -12.707 1.00 50.00 O -ATOM 1981 CB TRP A 122 -7.604 6.183 -9.745 1.00 50.00 C -ATOM 1982 CG TRP A 122 -8.849 6.948 -9.971 1.00 50.00 C -ATOM 1983 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 50.00 C -ATOM 1984 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 50.00 C -ATOM 1985 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 50.00 N -ATOM 1986 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 50.00 C -ATOM 1987 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 50.00 C -ATOM 1988 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 50.00 C -ATOM 1989 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 50.00 C -ATOM 1990 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 50.00 C -ATOM 1991 H TRP A 122 -5.381 4.940 -9.969 1.00 50.00 H -ATOM 1992 HA TRP A 122 -7.513 5.433 -11.751 1.00 50.00 H -ATOM 1993 1HB TRP A 122 -7.831 5.208 -9.314 1.00 50.00 H -ATOM 1994 2HB TRP A 122 -6.958 6.709 -9.042 1.00 50.00 H -ATOM 1995 HD1 TRP A 122 -10.047 5.544 -11.097 1.00 50.00 H -ATOM 1996 HE1 TRP A 122 -11.774 7.461 -11.138 1.00 50.00 H -ATOM 1997 HE3 TRP A 122 -7.367 9.031 -8.527 1.00 50.00 H -ATOM 1998 HZ2 TRP A 122 -11.954 10.124 -10.192 1.00 50.00 H -ATOM 1999 HZ3 TRP A 122 -8.367 11.240 -8.128 1.00 50.00 H -ATOM 2000 HH2 TRP A 122 -10.637 11.799 -8.999 1.00 50.00 H -ATOM 2001 N LEU A 123 -5.725 8.170 -11.046 1.00 50.00 N -ATOM 2002 CA LEU A 123 -5.508 9.552 -11.408 1.00 50.00 C -ATOM 2003 C LEU A 123 -4.811 9.636 -12.776 1.00 50.00 C -ATOM 2004 O LEU A 123 -5.165 10.461 -13.600 1.00 50.00 O -ATOM 2005 CB LEU A 123 -4.713 10.308 -10.329 1.00 50.00 C -ATOM 2006 CG LEU A 123 -4.566 11.806 -10.716 1.00 50.00 C -ATOM 2007 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 50.00 C -ATOM 2008 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 50.00 C -ATOM 2009 H LEU A 123 -5.200 7.774 -10.279 1.00 50.00 H -ATOM 2010 HA LEU A 123 -6.477 10.038 -11.514 1.00 50.00 H -ATOM 2011 1HB LEU A 123 -5.237 10.210 -9.379 1.00 50.00 H -ATOM 2012 2HB LEU A 123 -3.733 9.842 -10.229 1.00 50.00 H -ATOM 2013 HG LEU A 123 -4.082 11.885 -11.690 1.00 50.00 H -ATOM 2014 1HD1 LEU A 123 -5.769 13.528 -11.188 1.00 50.00 H -ATOM 2015 2HD1 LEU A 123 -6.464 11.979 -11.719 1.00 50.00 H -ATOM 2016 3HD1 LEU A 123 -6.498 12.427 -9.996 1.00 50.00 H -ATOM 2017 1HD2 LEU A 123 -3.645 13.613 -10.006 1.00 50.00 H -ATOM 2018 2HD2 LEU A 123 -4.200 12.513 -8.721 1.00 50.00 H -ATOM 2019 3HD2 LEU A 123 -2.730 12.128 -9.648 1.00 50.00 H -ATOM 2020 N ARG A 124 -3.839 8.745 -13.008 1.00 0.00 N -ATOM 2021 CA ARG A 124 -3.116 8.728 -14.279 1.00 0.00 C -ATOM 2022 C ARG A 124 -4.111 8.468 -15.410 1.00 0.00 C -ATOM 2023 O ARG A 124 -4.075 9.130 -16.427 1.00 0.00 O -ATOM 2024 CB ARG A 124 -2.002 7.695 -14.218 1.00 0.00 C -ATOM 2025 CG ARG A 124 -1.042 7.669 -15.379 1.00 0.00 C -ATOM 2026 CD ARG A 124 0.020 8.763 -15.333 1.00 0.00 C -ATOM 2027 NE ARG A 124 0.741 8.854 -16.609 1.00 0.00 N -ATOM 2028 CZ ARG A 124 1.825 8.151 -16.951 1.00 0.00 C -ATOM 2029 NH1 ARG A 124 2.394 7.277 -16.142 1.00 0.00 N -ATOM 2030 NH2 ARG A 124 2.369 8.348 -18.127 1.00 0.00 N -ATOM 2031 H ARG A 124 -3.598 8.071 -12.296 1.00 0.00 H -ATOM 2032 HA ARG A 124 -2.679 9.714 -14.442 1.00 0.00 H -ATOM 2033 1HB ARG A 124 -1.405 7.857 -13.322 1.00 0.00 H -ATOM 2034 2HB ARG A 124 -2.435 6.697 -14.147 1.00 0.00 H -ATOM 2035 1HG ARG A 124 -0.517 6.713 -15.396 1.00 0.00 H -ATOM 2036 2HG ARG A 124 -1.594 7.797 -16.311 1.00 0.00 H -ATOM 2037 1HD ARG A 124 -0.455 9.723 -15.132 1.00 0.00 H -ATOM 2038 2HD ARG A 124 0.737 8.541 -14.543 1.00 0.00 H -ATOM 2039 HE ARG A 124 0.394 9.506 -17.300 1.00 0.00 H -ATOM 2040 1HH1 ARG A 124 2.011 7.117 -15.221 1.00 0.00 H -ATOM 2041 2HH1 ARG A 124 3.212 6.768 -16.444 1.00 0.00 H -ATOM 2042 1HH2 ARG A 124 1.968 9.025 -18.762 1.00 0.00 H -ATOM 2043 2HH2 ARG A 124 3.188 7.824 -18.398 1.00 0.00 H -ATOM 2044 N GLY A 125 -5.008 7.501 -15.192 1.00 0.00 N -ATOM 2045 CA GLY A 125 -6.131 7.235 -16.067 1.00 0.00 C -ATOM 2046 C GLY A 125 -6.959 8.472 -16.344 1.00 0.00 C -ATOM 2047 O GLY A 125 -7.183 8.820 -17.487 1.00 0.00 O -ATOM 2048 H GLY A 125 -4.882 6.933 -14.367 1.00 0.00 H -ATOM 2049 1HA GLY A 125 -5.768 6.832 -17.013 1.00 0.00 H -ATOM 2050 2HA GLY A 125 -6.769 6.475 -15.618 1.00 0.00 H -ATOM 2051 N GLU A 126 -7.388 9.160 -15.288 1.00 0.00 N -ATOM 2052 CA GLU A 126 -8.216 10.349 -15.448 1.00 0.00 C -ATOM 2053 C GLU A 126 -7.527 11.472 -16.231 1.00 0.00 C -ATOM 2054 O GLU A 126 -8.157 12.119 -17.061 1.00 0.00 O -ATOM 2055 CB GLU A 126 -8.699 10.870 -14.083 1.00 0.00 C -ATOM 2056 CG GLU A 126 -9.658 9.926 -13.369 1.00 0.00 C -ATOM 2057 CD GLU A 126 -10.897 9.557 -14.193 1.00 0.00 C -ATOM 2058 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 0.00 O -ATOM 2059 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 0.00 O -ATOM 2060 H GLU A 126 -7.138 8.856 -14.358 1.00 0.00 H -ATOM 2061 HA GLU A 126 -9.090 10.085 -16.045 1.00 0.00 H -ATOM 2062 1HB GLU A 126 -7.840 11.038 -13.433 1.00 0.00 H -ATOM 2063 2HB GLU A 126 -9.201 11.828 -14.216 1.00 0.00 H -ATOM 2064 1HG GLU A 126 -9.128 9.007 -13.118 1.00 0.00 H -ATOM 2065 2HG GLU A 126 -9.983 10.390 -12.439 1.00 0.00 H -ATOM 2066 N ARG A 127 -6.236 11.707 -15.959 1.00 0.00 N -ATOM 2067 CA ARG A 127 -5.531 12.884 -16.481 1.00 0.00 C -ATOM 2068 C ARG A 127 -4.816 12.637 -17.806 1.00 0.00 C -ATOM 2069 O ARG A 127 -4.531 13.557 -18.534 1.00 0.00 O -ATOM 2070 CB ARG A 127 -4.521 13.395 -15.453 1.00 0.00 C -ATOM 2071 CG ARG A 127 -5.147 14.027 -14.217 1.00 0.00 C -ATOM 2072 CD ARG A 127 -4.164 14.931 -13.473 1.00 0.00 C -ATOM 2073 NE ARG A 127 -3.875 16.151 -14.228 1.00 0.00 N -ATOM 2074 CZ ARG A 127 -2.666 16.664 -14.467 1.00 0.00 C -ATOM 2075 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 0.00 N -ATOM 2076 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 0.00 N -ATOM 2077 H ARG A 127 -5.735 11.052 -15.376 1.00 0.00 H -ATOM 2078 HA ARG A 127 -6.263 13.669 -16.673 1.00 0.00 H -ATOM 2079 1HB ARG A 127 -3.889 12.571 -15.124 1.00 0.00 H -ATOM 2080 2HB ARG A 127 -3.874 14.139 -15.918 1.00 0.00 H -ATOM 2081 1HG ARG A 127 -6.006 14.630 -14.512 1.00 0.00 H -ATOM 2082 2HG ARG A 127 -5.472 13.243 -13.532 1.00 0.00 H -ATOM 2083 1HD ARG A 127 -4.588 15.215 -12.511 1.00 0.00 H -ATOM 2084 2HD ARG A 127 -3.228 14.397 -13.313 1.00 0.00 H -ATOM 2085 HE ARG A 127 -4.658 16.664 -14.611 1.00 0.00 H -ATOM 2086 1HH1 ARG A 127 -1.625 15.297 -13.391 1.00 0.00 H -ATOM 2087 2HH1 ARG A 127 -0.665 16.535 -14.170 1.00 0.00 H -ATOM 2088 1HH2 ARG A 127 -3.384 18.204 -15.572 1.00 0.00 H -ATOM 2089 2HH2 ARG A 127 -1.646 18.154 -15.383 1.00 0.00 H -ATOM 2090 N ASP A 128 -4.529 11.374 -18.105 1.00 0.00 N -ATOM 2091 CA ASP A 128 -3.569 11.010 -19.129 1.00 0.00 C -ATOM 2092 C ASP A 128 -4.046 9.667 -19.670 1.00 0.00 C -ATOM 2093 O ASP A 128 -3.359 8.654 -19.549 1.00 0.00 O -ATOM 2094 CB ASP A 128 -2.190 10.913 -18.463 1.00 0.00 C -ATOM 2095 CG ASP A 128 -1.048 10.731 -19.441 1.00 0.00 C -ATOM 2096 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 0.00 O -ATOM 2097 OD2 ASP A 128 0.053 10.389 -18.946 1.00 0.00 O -ATOM 2098 H ASP A 128 -5.003 10.644 -17.593 1.00 0.00 H -ATOM 2099 HA ASP A 128 -3.561 11.792 -19.889 1.00 0.00 H -ATOM 2100 1HB ASP A 128 -2.001 11.818 -17.885 1.00 0.00 H -ATOM 2101 2HB ASP A 128 -2.179 10.072 -17.769 1.00 0.00 H -ATOM 2102 N PRO A 129 -5.276 9.635 -20.231 1.00 0.00 N -ATOM 2103 CA PRO A 129 -5.849 8.435 -20.844 1.00 0.00 C -ATOM 2104 C PRO A 129 -4.918 7.453 -21.579 1.00 0.00 C -ATOM 2105 O PRO A 129 -4.894 6.283 -21.242 1.00 0.00 O -ATOM 2106 CB PRO A 129 -6.853 9.031 -21.850 1.00 0.00 C -ATOM 2107 CG PRO A 129 -7.231 10.375 -21.296 1.00 0.00 C -ATOM 2108 CD PRO A 129 -6.212 10.775 -20.265 1.00 0.00 C -ATOM 2109 HA PRO A 129 -6.361 7.843 -20.071 1.00 0.00 H -ATOM 2110 1HB PRO A 129 -6.389 9.108 -22.844 1.00 0.00 H -ATOM 2111 2HB PRO A 129 -7.723 8.365 -21.953 1.00 0.00 H -ATOM 2112 1HG PRO A 129 -7.274 11.120 -22.104 1.00 0.00 H -ATOM 2113 2HG PRO A 129 -8.235 10.333 -20.849 1.00 0.00 H -ATOM 2114 1HD PRO A 129 -5.707 11.698 -20.587 1.00 0.00 H -ATOM 2115 2HD PRO A 129 -6.709 10.923 -19.295 1.00 0.00 H -ATOM 2116 N GLN A 130 -4.195 7.917 -22.595 1.00 0.00 N -ATOM 2117 CA GLN A 130 -3.537 6.989 -23.510 1.00 0.00 C -ATOM 2118 C GLN A 130 -2.043 6.770 -23.231 1.00 0.00 C -ATOM 2119 O GLN A 130 -1.253 6.556 -24.148 1.00 0.00 O -ATOM 2120 CB GLN A 130 -3.791 7.362 -24.986 1.00 0.00 C -ATOM 2121 CG GLN A 130 -5.223 7.788 -25.352 1.00 0.00 C -ATOM 2122 CD GLN A 130 -6.349 6.861 -24.874 1.00 0.00 C -ATOM 2123 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 0.00 O -ATOM 2124 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 0.00 N -ATOM 2125 H GLN A 130 -4.093 8.911 -22.745 1.00 0.00 H -ATOM 2126 HA GLN A 130 -3.941 5.991 -23.341 1.00 0.00 H -ATOM 2127 1HB GLN A 130 -3.137 8.186 -25.271 1.00 0.00 H -ATOM 2128 2HB GLN A 130 -3.544 6.513 -25.623 1.00 0.00 H -ATOM 2129 1HG GLN A 130 -5.424 8.766 -24.913 1.00 0.00 H -ATOM 2130 2HG GLN A 130 -5.309 7.841 -26.437 1.00 0.00 H -ATOM 2131 1HE2 GLN A 130 -8.341 6.590 -25.089 1.00 0.00 H -ATOM 2132 2HE2 GLN A 130 -7.672 7.919 -25.976 1.00 0.00 H -ATOM 2133 N SER A 131 -1.675 6.804 -21.948 1.00 0.00 N -ATOM 2134 CA SER A 131 -0.517 6.066 -21.451 1.00 0.00 C -ATOM 2135 C SER A 131 -0.934 4.597 -21.277 1.00 0.00 C -ATOM 2136 O SER A 131 -0.089 3.739 -20.981 1.00 0.00 O -ATOM 2137 CB SER A 131 0.000 6.652 -20.136 1.00 0.00 C -ATOM 2138 OG SER A 131 -1.052 7.160 -19.329 1.00 0.00 O -ATOM 2139 H SER A 131 -2.218 7.360 -21.303 1.00 0.00 H -ATOM 2140 HA SER A 131 0.282 6.136 -22.191 1.00 0.00 H -ATOM 2141 1HB SER A 131 0.536 5.883 -19.581 1.00 0.00 H -ATOM 2142 2HB SER A 131 0.706 7.454 -20.348 1.00 0.00 H -ATOM 2143 HG SER A 131 -1.861 7.007 -19.822 1.00 0.00 H -ATOM 2144 N GLY A 132 -2.241 4.333 -21.473 1.00 0.00 N -ATOM 2145 CA GLY A 132 -2.815 3.006 -21.507 1.00 0.00 C -ATOM 2146 C GLY A 132 -3.005 2.423 -20.115 1.00 0.00 C -ATOM 2147 O GLY A 132 -3.108 1.205 -19.954 1.00 0.00 O -ATOM 2148 H GLY A 132 -2.844 5.133 -21.603 1.00 0.00 H -ATOM 2149 1HA GLY A 132 -3.779 3.039 -22.015 1.00 0.00 H -ATOM 2150 2HA GLY A 132 -2.170 2.346 -22.086 1.00 0.00 H -ATOM 2151 N ILE A 133 -3.040 3.292 -19.100 1.00 0.00 N -ATOM 2152 CA ILE A 133 -3.266 2.864 -17.735 1.00 0.00 C -ATOM 2153 C ILE A 133 -4.500 3.619 -17.200 1.00 0.00 C -ATOM 2154 O ILE A 133 -4.602 4.848 -17.321 1.00 0.00 O -ATOM 2155 CB ILE A 133 -1.980 3.048 -16.863 1.00 0.00 C -ATOM 2156 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 0.00 C -ATOM 2157 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 0.00 C -ATOM 2158 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 0.00 C -ATOM 2159 H ILE A 133 -2.905 4.274 -19.292 1.00 0.00 H -ATOM 2160 HA ILE A 133 -3.525 1.806 -17.743 1.00 0.00 H -ATOM 2161 HB ILE A 133 -1.096 2.878 -17.478 1.00 0.00 H -ATOM 2162 1HG1 ILE A 133 -2.914 1.636 -15.537 1.00 0.00 H -ATOM 2163 2HG1 ILE A 133 -1.373 1.099 -16.186 1.00 0.00 H -ATOM 2164 1HG2 ILE A 133 -0.968 4.529 -15.669 1.00 0.00 H -ATOM 2165 2HG2 ILE A 133 -1.846 5.188 -17.069 1.00 0.00 H -ATOM 2166 3HG2 ILE A 133 -2.744 4.644 -15.633 1.00 0.00 H -ATOM 2167 1HD1 ILE A 133 -1.212 1.549 -13.803 1.00 0.00 H -ATOM 2168 2HD1 ILE A 133 -0.189 2.681 -14.720 1.00 0.00 H -ATOM 2169 3HD1 ILE A 133 -1.751 3.225 -14.062 1.00 0.00 H -ATOM 2170 N TYR A 134 -5.457 2.867 -16.644 1.00 0.00 N -ATOM 2171 CA TYR A 134 -6.638 3.452 -15.992 1.00 0.00 C -ATOM 2172 C TYR A 134 -7.276 2.441 -15.040 1.00 0.00 C -ATOM 2173 O TYR A 134 -6.990 1.253 -15.087 1.00 0.00 O -ATOM 2174 CB TYR A 134 -7.659 3.931 -17.035 1.00 0.00 C -ATOM 2175 CG TYR A 134 -8.326 2.787 -17.748 1.00 0.00 C -ATOM 2176 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 0.00 C -ATOM 2177 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 0.00 C -ATOM 2178 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 0.00 C -ATOM 2179 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 0.00 C -ATOM 2180 CZ TYR A 134 -9.546 0.645 -19.055 1.00 0.00 C -ATOM 2181 OH TYR A 134 -10.143 -0.401 -19.707 1.00 0.00 O -ATOM 2182 H TYR A 134 -5.360 1.862 -16.676 1.00 0.00 H -ATOM 2183 HA TYR A 134 -6.318 4.312 -15.403 1.00 0.00 H -ATOM 2184 1HB TYR A 134 -8.422 4.537 -16.545 1.00 0.00 H -ATOM 2185 2HB TYR A 134 -7.160 4.563 -17.769 1.00 0.00 H -ATOM 2186 HD1 TYR A 134 -6.633 2.356 -19.027 1.00 0.00 H -ATOM 2187 HD2 TYR A 134 -10.186 2.931 -16.652 1.00 0.00 H -ATOM 2188 HE1 TYR A 134 -7.713 0.473 -20.182 1.00 0.00 H -ATOM 2189 HE2 TYR A 134 -11.254 1.040 -17.802 1.00 0.00 H -ATOM 2190 HH TYR A 134 -11.031 -0.525 -19.364 1.00 0.00 H -ATOM 2191 N LEU A 135 -8.139 2.938 -14.155 1.00 50.00 N -ATOM 2192 CA LEU A 135 -8.880 2.094 -13.229 1.00 50.00 C -ATOM 2193 C LEU A 135 -10.336 2.118 -13.700 1.00 50.00 C -ATOM 2194 O LEU A 135 -11.019 3.138 -13.583 1.00 50.00 O -ATOM 2195 CB LEU A 135 -8.718 2.612 -11.793 1.00 50.00 C -ATOM 2196 CG LEU A 135 -9.164 1.642 -10.707 1.00 50.00 C -ATOM 2197 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 50.00 C -ATOM 2198 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 50.00 C -ATOM 2199 H LEU A 135 -8.280 3.938 -14.130 1.00 50.00 H -ATOM 2200 HA LEU A 135 -8.477 1.083 -13.285 1.00 50.00 H -ATOM 2201 1HB LEU A 135 -7.668 2.849 -11.625 1.00 50.00 H -ATOM 2202 2HB LEU A 135 -9.297 3.529 -11.687 1.00 50.00 H -ATOM 2203 HG LEU A 135 -10.201 1.353 -10.880 1.00 50.00 H -ATOM 2204 1HD1 LEU A 135 -8.732 -0.317 -9.939 1.00 50.00 H -ATOM 2205 2HD1 LEU A 135 -8.512 -0.150 -11.696 1.00 50.00 H -ATOM 2206 3HD1 LEU A 135 -7.318 0.553 -10.579 1.00 50.00 H -ATOM 2207 1HD2 LEU A 135 -9.367 1.612 -8.575 1.00 50.00 H -ATOM 2208 2HD2 LEU A 135 -8.010 2.596 -9.175 1.00 50.00 H -ATOM 2209 3HD2 LEU A 135 -9.679 3.196 -9.326 1.00 50.00 H -ATOM 2210 N GLN A 136 -10.793 0.994 -14.264 1.00 50.00 N -ATOM 2211 CA GLN A 136 -12.173 0.836 -14.686 1.00 50.00 C -ATOM 2212 C GLN A 136 -13.103 1.167 -13.481 1.00 50.00 C -ATOM 2213 O GLN A 136 -12.830 0.791 -12.334 1.00 50.00 O -ATOM 2214 CB GLN A 136 -12.416 -0.589 -15.261 1.00 50.00 C -ATOM 2215 CG GLN A 136 -13.516 -0.674 -16.319 1.00 50.00 C -ATOM 2216 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.00 C -ATOM 2217 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 50.00 O -ATOM 2218 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 50.00 N -ATOM 2219 H GLN A 136 -10.147 0.229 -14.398 1.00 50.00 H -ATOM 2220 HA GLN A 136 -12.381 1.565 -15.470 1.00 50.00 H -ATOM 2221 1HB GLN A 136 -11.496 -0.962 -15.710 1.00 50.00 H -ATOM 2222 2HB GLN A 136 -12.683 -1.267 -14.451 1.00 50.00 H -ATOM 2223 1HG GLN A 136 -14.472 -0.431 -15.855 1.00 50.00 H -ATOM 2224 2HG GLN A 136 -13.296 0.037 -17.115 1.00 50.00 H -ATOM 2225 1HE2 GLN A 136 -14.348 -3.941 -16.654 1.00 50.00 H -ATOM 2226 2HE2 GLN A 136 -14.498 -2.855 -15.313 1.00 50.00 H -ATOM 2227 N ARG A 137 -14.152 1.938 -13.765 1.00 50.00 N -ATOM 2228 CA ARG A 137 -15.281 2.236 -12.886 1.00 50.00 C -ATOM 2229 C ARG A 137 -15.574 1.223 -11.794 1.00 50.00 C -ATOM 2230 O ARG A 137 -15.500 1.506 -10.590 1.00 50.00 O -ATOM 2231 CB ARG A 137 -16.520 2.309 -13.770 1.00 50.00 C -ATOM 2232 CG ARG A 137 -16.683 3.617 -14.500 1.00 50.00 C -ATOM 2233 CD ARG A 137 -17.935 3.540 -15.336 1.00 50.00 C -ATOM 2234 NE ARG A 137 -18.307 4.873 -15.709 1.00 50.00 N -ATOM 2235 CZ ARG A 137 -19.408 5.191 -16.336 1.00 50.00 C -ATOM 2236 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 50.00 N -ATOM 2237 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 50.00 N -ATOM 2238 H ARG A 137 -14.130 2.340 -14.691 1.00 50.00 H -ATOM 2239 HA ARG A 137 -15.100 3.198 -12.405 1.00 50.00 H -ATOM 2240 1HB ARG A 137 -16.485 1.513 -14.512 1.00 50.00 H -ATOM 2241 2HB ARG A 137 -17.411 2.150 -13.162 1.00 50.00 H -ATOM 2242 1HG ARG A 137 -16.766 4.429 -13.777 1.00 50.00 H -ATOM 2243 2HG ARG A 137 -15.816 3.787 -15.140 1.00 50.00 H -ATOM 2244 1HD ARG A 137 -17.742 2.942 -16.226 1.00 50.00 H -ATOM 2245 2HD ARG A 137 -18.732 3.078 -14.755 1.00 50.00 H -ATOM 2246 HE ARG A 137 -17.672 5.623 -15.470 1.00 50.00 H -ATOM 2247 1HH1 ARG A 137 -20.117 3.305 -16.506 1.00 50.00 H -ATOM 2248 2HH1 ARG A 137 -21.128 4.559 -17.189 1.00 50.00 H -ATOM 2249 1HH2 ARG A 137 -18.961 7.150 -16.286 1.00 50.00 H -ATOM 2250 2HH2 ARG A 137 -20.472 6.732 -17.063 1.00 50.00 H -ATOM 2251 N GLY A 138 -15.917 0.011 -12.234 1.00 50.00 N -ATOM 2252 CA GLY A 138 -16.152 -1.093 -11.343 1.00 50.00 C -ATOM 2253 C GLY A 138 -15.083 -1.204 -10.312 1.00 50.00 C -ATOM 2254 O GLY A 138 -15.334 -1.111 -9.126 1.00 50.00 O -ATOM 2255 H GLY A 138 -16.014 -0.131 -13.229 1.00 50.00 H -ATOM 2256 1HA GLY A 138 -17.118 -0.966 -10.853 1.00 50.00 H -ATOM 2257 2HA GLY A 138 -16.202 -2.018 -11.916 1.00 50.00 H -ATOM 2258 N LEU A 139 -13.849 -1.415 -10.762 1.00 0.00 N -ATOM 2259 CA LEU A 139 -12.791 -1.586 -9.828 1.00 0.00 C -ATOM 2260 C LEU A 139 -12.579 -0.373 -8.977 1.00 0.00 C -ATOM 2261 O LEU A 139 -12.099 -0.518 -7.868 1.00 0.00 O -ATOM 2262 CB LEU A 139 -11.470 -2.035 -10.488 1.00 0.00 C -ATOM 2263 CG LEU A 139 -11.356 -3.536 -10.805 1.00 0.00 C -ATOM 2264 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 0.00 C -ATOM 2265 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 0.00 C -ATOM 2266 H LEU A 139 -13.644 -1.457 -11.750 1.00 0.00 H -ATOM 2267 HA LEU A 139 -13.079 -2.359 -9.117 1.00 0.00 H -ATOM 2268 1HB LEU A 139 -11.346 -1.490 -11.422 1.00 0.00 H -ATOM 2269 2HB LEU A 139 -10.644 -1.773 -9.826 1.00 0.00 H -ATOM 2270 HG LEU A 139 -10.322 -3.779 -11.050 1.00 0.00 H -ATOM 2271 1HD1 LEU A 139 -11.614 -5.432 -9.828 1.00 0.00 H -ATOM 2272 2HD1 LEU A 139 -11.014 -4.134 -8.770 1.00 0.00 H -ATOM 2273 3HD1 LEU A 139 -12.722 -4.158 -9.268 1.00 0.00 H -ATOM 2274 1HD2 LEU A 139 -12.129 -4.997 -12.185 1.00 0.00 H -ATOM 2275 2HD2 LEU A 139 -13.278 -3.705 -11.760 1.00 0.00 H -ATOM 2276 3HD2 LEU A 139 -11.931 -3.367 -12.872 1.00 0.00 H -ATOM 2277 N ILE A 140 -12.862 0.826 -9.497 1.00 50.00 N -ATOM 2278 CA ILE A 140 -12.638 1.996 -8.654 1.00 50.00 C -ATOM 2279 C ILE A 140 -13.679 2.069 -7.568 1.00 50.00 C -ATOM 2280 O ILE A 140 -13.344 2.466 -6.459 1.00 50.00 O -ATOM 2281 CB ILE A 140 -12.453 3.353 -9.368 1.00 50.00 C -ATOM 2282 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 50.00 C -ATOM 2283 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 50.00 C -ATOM 2284 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 50.00 C -ATOM 2285 H ILE A 140 -13.218 0.955 -10.433 1.00 50.00 H -ATOM 2286 HA ILE A 140 -11.722 1.842 -8.086 1.00 50.00 H -ATOM 2287 HB ILE A 140 -11.482 3.375 -9.862 1.00 50.00 H -ATOM 2288 1HG1 ILE A 140 -12.290 5.486 -8.890 1.00 50.00 H -ATOM 2289 2HG1 ILE A 140 -13.370 4.607 -7.820 1.00 50.00 H -ATOM 2290 1HG2 ILE A 140 -13.350 4.548 -10.881 1.00 50.00 H -ATOM 2291 2HG2 ILE A 140 -13.469 2.793 -11.150 1.00 50.00 H -ATOM 2292 3HG2 ILE A 140 -14.493 3.576 -9.924 1.00 50.00 H -ATOM 2293 1HD1 ILE A 140 -11.453 5.452 -6.629 1.00 50.00 H -ATOM 2294 2HD1 ILE A 140 -11.443 3.672 -6.622 1.00 50.00 H -ATOM 2295 3HD1 ILE A 140 -10.349 4.564 -7.704 1.00 50.00 H -ATOM 2296 N ILE A 141 -14.912 1.625 -7.857 1.00 50.00 N -ATOM 2297 CA ILE A 141 -15.865 1.446 -6.781 1.00 50.00 C -ATOM 2298 C ILE A 141 -15.268 0.557 -5.681 1.00 50.00 C -ATOM 2299 O ILE A 141 -15.296 0.917 -4.487 1.00 50.00 O -ATOM 2300 CB ILE A 141 -17.181 0.878 -7.275 1.00 50.00 C -ATOM 2301 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 50.00 C -ATOM 2302 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 50.00 C -ATOM 2303 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 50.00 C -ATOM 2304 H ILE A 141 -15.193 1.413 -8.804 1.00 50.00 H -ATOM 2305 HA ILE A 141 -16.067 2.418 -6.333 1.00 50.00 H -ATOM 2306 HB ILE A 141 -16.989 0.133 -8.046 1.00 50.00 H -ATOM 2307 1HG1 ILE A 141 -17.368 2.331 -8.849 1.00 50.00 H -ATOM 2308 2HG1 ILE A 141 -18.893 1.621 -8.343 1.00 50.00 H -ATOM 2309 1HG2 ILE A 141 -18.894 -0.188 -6.496 1.00 50.00 H -ATOM 2310 2HG2 ILE A 141 -17.356 -0.597 -5.703 1.00 50.00 H -ATOM 2311 3HG2 ILE A 141 -18.157 0.951 -5.345 1.00 50.00 H -ATOM 2312 1HD1 ILE A 141 -18.733 3.956 -7.628 1.00 50.00 H -ATOM 2313 2HD1 ILE A 141 -18.786 2.872 -6.218 1.00 50.00 H -ATOM 2314 3HD1 ILE A 141 -17.242 3.592 -6.731 1.00 50.00 H -ATOM 2315 N PHE A 142 -14.686 -0.576 -6.076 1.00 50.00 N -ATOM 2316 CA PHE A 142 -14.227 -1.523 -5.090 1.00 50.00 C -ATOM 2317 C PHE A 142 -12.990 -0.990 -4.376 1.00 50.00 C -ATOM 2318 O PHE A 142 -12.779 -1.253 -3.163 1.00 50.00 O -ATOM 2319 CB PHE A 142 -14.069 -2.912 -5.707 1.00 50.00 C -ATOM 2320 CG PHE A 142 -15.367 -3.495 -6.198 1.00 50.00 C -ATOM 2321 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 50.00 C -ATOM 2322 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 50.00 C -ATOM 2323 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 50.00 C -ATOM 2324 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 50.00 C -ATOM 2325 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 50.00 C -ATOM 2326 H PHE A 142 -14.559 -0.786 -7.056 1.00 50.00 H -ATOM 2327 HA PHE A 142 -14.970 -1.580 -4.293 1.00 50.00 H -ATOM 2328 1HB PHE A 142 -13.375 -2.861 -6.545 1.00 50.00 H -ATOM 2329 2HB PHE A 142 -13.643 -3.591 -4.970 1.00 50.00 H -ATOM 2330 HD1 PHE A 142 -16.234 -3.663 -4.234 1.00 50.00 H -ATOM 2331 HD2 PHE A 142 -14.830 -3.433 -8.282 1.00 50.00 H -ATOM 2332 HE1 PHE A 142 -18.353 -4.625 -5.036 1.00 50.00 H -ATOM 2333 HE2 PHE A 142 -16.965 -4.384 -9.059 1.00 50.00 H -ATOM 2334 HZ PHE A 142 -18.719 -4.933 -7.454 1.00 50.00 H -ATOM 2335 N ALA A 143 -12.184 -0.193 -5.091 1.00 50.00 N -ATOM 2336 CA ALA A 143 -11.047 0.446 -4.455 1.00 50.00 C -ATOM 2337 C ALA A 143 -11.558 1.432 -3.419 1.00 50.00 C -ATOM 2338 O ALA A 143 -11.094 1.489 -2.264 1.00 50.00 O -ATOM 2339 CB ALA A 143 -10.145 1.161 -5.458 1.00 50.00 C -ATOM 2340 H ALA A 143 -12.356 -0.028 -6.073 1.00 50.00 H -ATOM 2341 HA ALA A 143 -10.456 -0.327 -3.963 1.00 50.00 H -ATOM 2342 1HB ALA A 143 -9.309 1.622 -4.932 1.00 50.00 H -ATOM 2343 2HB ALA A 143 -9.764 0.441 -6.183 1.00 50.00 H -ATOM 2344 3HB ALA A 143 -10.716 1.930 -5.976 1.00 50.00 H -ATOM 2345 N LEU A 144 -12.548 2.209 -3.841 1.00 50.00 N -ATOM 2346 CA LEU A 144 -13.133 3.191 -2.989 1.00 50.00 C -ATOM 2347 C LEU A 144 -13.777 2.567 -1.687 1.00 50.00 C -ATOM 2348 O LEU A 144 -13.587 3.072 -0.575 1.00 50.00 O -ATOM 2349 CB LEU A 144 -14.058 4.036 -3.822 1.00 50.00 C -ATOM 2350 CG LEU A 144 -14.677 5.221 -3.110 1.00 50.00 C -ATOM 2351 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 50.00 C -ATOM 2352 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 50.00 C -ATOM 2353 H LEU A 144 -12.896 2.105 -4.783 1.00 50.00 H -ATOM 2354 HA LEU A 144 -12.337 3.810 -2.577 1.00 50.00 H -ATOM 2355 1HB LEU A 144 -13.504 4.415 -4.680 1.00 50.00 H -ATOM 2356 2HB LEU A 144 -14.869 3.406 -4.188 1.00 50.00 H -ATOM 2357 HG LEU A 144 -15.193 4.878 -2.213 1.00 50.00 H -ATOM 2358 1HD1 LEU A 144 -14.161 7.040 -2.087 1.00 50.00 H -ATOM 2359 2HD1 LEU A 144 -12.988 5.719 -1.876 1.00 50.00 H -ATOM 2360 3HD1 LEU A 144 -13.062 6.606 -3.418 1.00 50.00 H -ATOM 2361 1HD2 LEU A 144 -16.135 6.737 -3.596 1.00 50.00 H -ATOM 2362 2HD2 LEU A 144 -15.140 6.207 -4.974 1.00 50.00 H -ATOM 2363 3HD2 LEU A 144 -16.438 5.157 -4.357 1.00 50.00 H -ATOM 2364 N ILE A 145 -14.497 1.453 -1.835 1.00 50.00 N -ATOM 2365 CA ILE A 145 -15.035 0.730 -0.688 1.00 50.00 C -ATOM 2366 C ILE A 145 -13.896 0.259 0.256 1.00 50.00 C -ATOM 2367 O ILE A 145 -14.018 0.353 1.476 1.00 50.00 O -ATOM 2368 CB ILE A 145 -15.927 -0.454 -1.163 1.00 50.00 C -ATOM 2369 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 50.00 C -ATOM 2370 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 50.00 C -ATOM 2371 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 50.00 C -ATOM 2372 H ILE A 145 -14.674 1.102 -2.765 1.00 50.00 H -ATOM 2373 HA ILE A 145 -15.647 1.416 -0.103 1.00 50.00 H -ATOM 2374 HB ILE A 145 -15.397 -1.027 -1.923 1.00 50.00 H -ATOM 2375 1HG1 ILE A 145 -17.872 0.455 -0.948 1.00 50.00 H -ATOM 2376 2HG1 ILE A 145 -17.057 0.858 -2.451 1.00 50.00 H -ATOM 2377 1HG2 ILE A 145 -16.906 -2.201 -0.419 1.00 50.00 H -ATOM 2378 2HG2 ILE A 145 -15.372 -1.809 0.392 1.00 50.00 H -ATOM 2379 3HG2 ILE A 145 -16.829 -0.847 0.734 1.00 50.00 H -ATOM 2380 1HD1 ILE A 145 -18.967 -0.579 -2.846 1.00 50.00 H -ATOM 2381 2HD1 ILE A 145 -17.455 -1.408 -3.289 1.00 50.00 H -ATOM 2382 3HD1 ILE A 145 -18.282 -1.816 -1.767 1.00 50.00 H -ATOM 2383 N TRP A 146 -12.800 -0.251 -0.322 1.00 0.00 N -ATOM 2384 CA TRP A 146 -11.644 -0.714 0.448 1.00 0.00 C -ATOM 2385 C TRP A 146 -11.076 0.432 1.309 1.00 0.00 C -ATOM 2386 O TRP A 146 -10.791 0.273 2.497 1.00 0.00 O -ATOM 2387 CB TRP A 146 -10.558 -1.280 -0.490 1.00 0.00 C -ATOM 2388 CG TRP A 146 -9.649 -2.243 0.222 1.00 0.00 C -ATOM 2389 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 0.00 C -ATOM 2390 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 0.00 C -ATOM 2391 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 0.00 N -ATOM 2392 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 0.00 C -ATOM 2393 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 0.00 C -ATOM 2394 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 0.00 C -ATOM 2395 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 0.00 C -ATOM 2396 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 0.00 C -ATOM 2397 H TRP A 146 -12.778 -0.315 -1.330 1.00 0.00 H -ATOM 2398 HA TRP A 146 -11.971 -1.508 1.119 1.00 0.00 H -ATOM 2399 1HB TRP A 146 -11.032 -1.789 -1.330 1.00 0.00 H -ATOM 2400 2HB TRP A 146 -9.965 -0.461 -0.896 1.00 0.00 H -ATOM 2401 HD1 TRP A 146 -7.682 -1.270 0.160 1.00 0.00 H -ATOM 2402 HE1 TRP A 146 -6.908 -3.371 1.507 1.00 0.00 H -ATOM 2403 HE3 TRP A 146 -12.174 -3.734 0.411 1.00 0.00 H -ATOM 2404 HZ2 TRP A 146 -8.098 -5.721 2.533 1.00 0.00 H -ATOM 2405 HZ3 TRP A 146 -12.292 -5.902 1.592 1.00 0.00 H -ATOM 2406 HH2 TRP A 146 -10.255 -6.893 2.613 1.00 0.00 H -ATOM 2407 N ILE A 147 -10.981 1.608 0.699 1.00 50.00 N -ATOM 2408 CA ILE A 147 -10.475 2.803 1.370 1.00 50.00 C -ATOM 2409 C ILE A 147 -11.420 3.221 2.495 1.00 50.00 C -ATOM 2410 O ILE A 147 -10.995 3.540 3.575 1.00 50.00 O -ATOM 2411 CB ILE A 147 -10.276 3.945 0.343 1.00 50.00 C -ATOM 2412 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 50.00 C -ATOM 2413 CG2 ILE A 147 -9.962 5.252 1.030 1.00 50.00 C -ATOM 2414 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 50.00 C -ATOM 2415 H ILE A 147 -11.272 1.672 -0.266 1.00 50.00 H -ATOM 2416 HA ILE A 147 -9.513 2.565 1.822 1.00 50.00 H -ATOM 2417 HB ILE A 147 -11.187 4.071 -0.242 1.00 50.00 H -ATOM 2418 1HG1 ILE A 147 -8.180 3.655 -0.111 1.00 50.00 H -ATOM 2419 2HG1 ILE A 147 -9.255 2.580 -0.991 1.00 50.00 H -ATOM 2420 1HG2 ILE A 147 -9.827 6.033 0.282 1.00 50.00 H -ATOM 2421 2HG2 ILE A 147 -10.784 5.522 1.692 1.00 50.00 H -ATOM 2422 3HG2 ILE A 147 -9.047 5.146 1.613 1.00 50.00 H -ATOM 2423 1HD1 ILE A 147 -8.270 4.249 -2.482 1.00 50.00 H -ATOM 2424 2HD1 ILE A 147 -10.033 4.469 -2.373 1.00 50.00 H -ATOM 2425 3HD1 ILE A 147 -8.943 5.558 -1.483 1.00 50.00 H -ATOM 2426 N VAL A 148 -12.727 3.205 2.225 1.00 50.00 N -ATOM 2427 CA VAL A 148 -13.723 3.495 3.249 1.00 50.00 C -ATOM 2428 C VAL A 148 -13.614 2.510 4.430 1.00 50.00 C -ATOM 2429 O VAL A 148 -13.745 2.904 5.593 1.00 50.00 O -ATOM 2430 CB VAL A 148 -15.143 3.478 2.666 1.00 50.00 C -ATOM 2431 CG1 VAL A 148 -16.180 3.661 3.764 1.00 50.00 C -ATOM 2432 CG2 VAL A 148 -15.302 4.601 1.634 1.00 50.00 C -ATOM 2433 H VAL A 148 -13.034 2.987 1.288 1.00 50.00 H -ATOM 2434 HA VAL A 148 -13.529 4.492 3.648 1.00 50.00 H -ATOM 2435 HB VAL A 148 -15.317 2.516 2.184 1.00 50.00 H -ATOM 2436 1HG1 VAL A 148 -17.179 3.645 3.327 1.00 50.00 H -ATOM 2437 2HG1 VAL A 148 -16.089 2.852 4.489 1.00 50.00 H -ATOM 2438 3HG1 VAL A 148 -16.018 4.617 4.262 1.00 50.00 H -ATOM 2439 1HG2 VAL A 148 -16.312 4.580 1.226 1.00 50.00 H -ATOM 2440 2HG2 VAL A 148 -15.124 5.564 2.113 1.00 50.00 H -ATOM 2441 3HG2 VAL A 148 -14.582 4.459 0.828 1.00 50.00 H -ATOM 2442 N ALA A 149 -13.403 1.224 4.125 1.00 50.00 N -ATOM 2443 CA ALA A 149 -13.306 0.187 5.150 1.00 50.00 C -ATOM 2444 C ALA A 149 -12.170 0.545 6.122 1.00 50.00 C -ATOM 2445 O ALA A 149 -12.348 0.521 7.359 1.00 50.00 O -ATOM 2446 CB ALA A 149 -13.015 -1.159 4.521 1.00 50.00 C -ATOM 2447 H ALA A 149 -13.308 0.966 3.153 1.00 50.00 H -ATOM 2448 HA ALA A 149 -14.263 0.132 5.668 1.00 50.00 H -ATOM 2449 1HB ALA A 149 -12.947 -1.918 5.301 1.00 50.00 H -ATOM 2450 2HB ALA A 149 -13.818 -1.419 3.831 1.00 50.00 H -ATOM 2451 3HB ALA A 149 -12.072 -1.111 3.979 1.00 50.00 H -ATOM 2452 N GLY A 150 -11.016 0.873 5.532 1.00 50.00 N -ATOM 2453 CA GLY A 150 -9.816 1.259 6.267 1.00 50.00 C -ATOM 2454 C GLY A 150 -10.055 2.506 7.099 1.00 50.00 C -ATOM 2455 O GLY A 150 -9.732 2.519 8.292 1.00 50.00 O -ATOM 2456 H GLY A 150 -10.988 0.848 4.523 1.00 50.00 H -ATOM 2457 1HA GLY A 150 -9.507 0.439 6.916 1.00 50.00 H -ATOM 2458 2HA GLY A 150 -9.002 1.437 5.566 1.00 50.00 H -ATOM 2459 N TRP A 151 -10.692 3.518 6.501 1.00 50.00 N -ATOM 2460 CA TRP A 151 -10.854 4.789 7.175 1.00 50.00 C -ATOM 2461 C TRP A 151 -11.724 4.655 8.445 1.00 50.00 C -ATOM 2462 O TRP A 151 -11.417 5.174 9.498 1.00 50.00 O -ATOM 2463 CB TRP A 151 -11.450 5.861 6.239 1.00 50.00 C -ATOM 2464 CG TRP A 151 -11.406 7.185 6.895 1.00 50.00 C -ATOM 2465 CD1 TRP A 151 -12.451 7.907 7.416 1.00 50.00 C -ATOM 2466 CD2 TRP A 151 -10.217 7.917 7.207 1.00 50.00 C -ATOM 2467 NE1 TRP A 151 -11.990 9.068 7.986 1.00 50.00 N -ATOM 2468 CE2 TRP A 151 -10.619 9.095 7.887 1.00 50.00 C -ATOM 2469 CE3 TRP A 151 -8.844 7.698 6.964 1.00 50.00 C -ATOM 2470 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 50.00 C -ATOM 2471 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 50.00 C -ATOM 2472 CH2 TRP A 151 -8.360 9.809 8.085 1.00 50.00 C -ATOM 2473 H TRP A 151 -11.067 3.403 5.570 1.00 50.00 H -ATOM 2474 HA TRP A 151 -9.873 5.134 7.502 1.00 50.00 H -ATOM 2475 1HB TRP A 151 -10.886 5.884 5.307 1.00 50.00 H -ATOM 2476 2HB TRP A 151 -12.478 5.598 5.993 1.00 50.00 H -ATOM 2477 HD1 TRP A 151 -13.496 7.603 7.382 1.00 50.00 H -ATOM 2478 HE1 TRP A 151 -12.563 9.784 8.408 1.00 50.00 H -ATOM 2479 HE3 TRP A 151 -8.510 6.804 6.439 1.00 50.00 H -ATOM 2480 HZ2 TRP A 151 -9.999 10.957 8.860 1.00 50.00 H -ATOM 2481 HZ3 TRP A 151 -6.873 8.458 7.223 1.00 50.00 H -ATOM 2482 HH2 TRP A 151 -7.613 10.531 8.414 1.00 50.00 H -ATOM 2483 N PHE A 152 -12.842 3.951 8.320 1.00 50.00 N -ATOM 2484 CA PHE A 152 -13.764 3.779 9.394 1.00 50.00 C -ATOM 2485 C PHE A 152 -13.472 2.497 10.160 1.00 50.00 C -ATOM 2486 O PHE A 152 -14.225 2.123 10.984 1.00 50.00 O -ATOM 2487 CB PHE A 152 -15.187 3.803 8.834 1.00 50.00 C -ATOM 2488 CG PHE A 152 -15.601 5.131 8.330 1.00 50.00 C -ATOM 2489 CD1 PHE A 152 -16.002 6.103 9.203 1.00 50.00 C -ATOM 2490 CD2 PHE A 152 -15.553 5.412 6.983 1.00 50.00 C -ATOM 2491 CE1 PHE A 152 -16.399 7.350 8.742 1.00 50.00 C -ATOM 2492 CE2 PHE A 152 -15.919 6.654 6.504 1.00 50.00 C -ATOM 2493 CZ PHE A 152 -16.361 7.628 7.384 1.00 50.00 C -ATOM 2494 H PHE A 152 -13.041 3.523 7.427 1.00 50.00 H -ATOM 2495 HA PHE A 152 -13.637 4.605 10.095 1.00 50.00 H -ATOM 2496 1HB PHE A 152 -15.269 3.086 8.018 1.00 50.00 H -ATOM 2497 2HB PHE A 152 -15.888 3.497 9.609 1.00 50.00 H -ATOM 2498 HD1 PHE A 152 -16.007 5.889 10.272 1.00 50.00 H -ATOM 2499 HD2 PHE A 152 -15.205 4.643 6.293 1.00 50.00 H -ATOM 2500 HE1 PHE A 152 -16.739 8.108 9.447 1.00 50.00 H -ATOM 2501 HE2 PHE A 152 -15.862 6.870 5.437 1.00 50.00 H -ATOM 2502 HZ PHE A 152 -16.678 8.603 7.017 1.00 50.00 H -ATOM 2503 N ASP A 153 -12.334 1.858 9.897 1.00 50.00 N -ATOM 2504 CA ASP A 153 -11.897 0.668 10.618 1.00 50.00 C -ATOM 2505 C ASP A 153 -12.957 -0.394 10.660 1.00 50.00 C -ATOM 2506 O ASP A 153 -13.323 -0.884 11.714 1.00 50.00 O -ATOM 2507 CB ASP A 153 -11.394 0.936 12.066 1.00 50.00 C -ATOM 2508 CG ASP A 153 -10.541 -0.277 12.620 1.00 50.00 C -ATOM 2509 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 50.00 O -ATOM 2510 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 50.00 O -ATOM 2511 H ASP A 153 -11.753 2.227 9.158 1.00 50.00 H -ATOM 2512 HA ASP A 153 -11.063 0.222 10.076 1.00 50.00 H -ATOM 2513 1HB ASP A 153 -10.786 1.841 12.078 1.00 50.00 H -ATOM 2514 2HB ASP A 153 -12.248 1.107 12.722 1.00 50.00 H -ATOM 2515 N LEU A 154 -13.415 -0.795 9.476 1.00 50.00 N -ATOM 2516 CA LEU A 154 -14.434 -1.817 9.380 1.00 50.00 C -ATOM 2517 C LEU A 154 -13.824 -3.230 9.518 1.00 50.00 C -ATOM 2518 O LEU A 154 -14.518 -4.206 9.461 1.00 50.00 O -ATOM 2519 CB LEU A 154 -15.242 -1.589 8.094 1.00 50.00 C -ATOM 2520 CG LEU A 154 -15.959 -0.224 8.045 1.00 50.00 C -ATOM 2521 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 50.00 C -ATOM 2522 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 50.00 C -ATOM 2523 H LEU A 154 -13.050 -0.383 8.629 1.00 50.00 H -ATOM 2524 HA LEU A 154 -15.093 -1.730 10.243 1.00 50.00 H -ATOM 2525 1HB LEU A 154 -14.567 -1.660 7.243 1.00 50.00 H -ATOM 2526 2HB LEU A 154 -15.988 -2.379 8.007 1.00 50.00 H -ATOM 2527 HG LEU A 154 -15.218 0.575 8.016 1.00 50.00 H -ATOM 2528 1HD1 LEU A 154 -17.272 0.894 6.738 1.00 50.00 H -ATOM 2529 2HD1 LEU A 154 -16.112 -0.153 5.888 1.00 50.00 H -ATOM 2530 3HD1 LEU A 154 -17.526 -0.867 6.699 1.00 50.00 H -ATOM 2531 1HD2 LEU A 154 -17.325 0.960 9.180 1.00 50.00 H -ATOM 2532 2HD2 LEU A 154 -17.595 -0.796 9.291 1.00 50.00 H -ATOM 2533 3HD2 LEU A 154 -16.230 -0.050 10.155 1.00 50.00 H -ATOM 2534 N PHE A 155 -12.525 -3.299 9.796 1.00 0.00 N -ATOM 2535 CA PHE A 155 -11.747 -4.537 9.869 1.00 0.00 C -ATOM 2536 C PHE A 155 -11.427 -4.985 11.278 1.00 0.00 C -ATOM 2537 O PHE A 155 -11.794 -4.306 12.241 1.00 0.00 O -ATOM 2538 CB PHE A 155 -10.426 -4.311 9.168 1.00 0.00 C -ATOM 2539 CG PHE A 155 -10.553 -4.208 7.675 1.00 0.00 C -ATOM 2540 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 0.00 C -ATOM 2541 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 0.00 C -ATOM 2542 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 0.00 C -ATOM 2543 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 0.00 C -ATOM 2544 CZ PHE A 155 -10.716 -4.068 4.896 1.00 0.00 C -ATOM 2545 H PHE A 155 -12.063 -2.417 9.966 1.00 0.00 H -ATOM 2546 HA PHE A 155 -12.303 -5.326 9.360 1.00 0.00 H -ATOM 2547 1HB PHE A 155 -9.970 -3.394 9.538 1.00 0.00 H -ATOM 2548 2HB PHE A 155 -9.747 -5.130 9.399 1.00 0.00 H -ATOM 2549 HD1 PHE A 155 -11.689 -6.025 7.478 1.00 0.00 H -ATOM 2550 HD2 PHE A 155 -9.429 -2.375 7.544 1.00 0.00 H -ATOM 2551 HE1 PHE A 155 -11.843 -5.895 5.017 1.00 0.00 H -ATOM 2552 HE2 PHE A 155 -9.583 -2.244 5.073 1.00 0.00 H -ATOM 2553 HZ PHE A 155 -10.773 -4.013 3.810 1.00 0.00 H -ATOM 2554 N GLY A 156 -10.741 -6.138 11.370 1.00 50.00 N -ATOM 2555 CA GLY A 156 -10.259 -6.713 12.613 1.00 50.00 C -ATOM 2556 C GLY A 156 -9.448 -5.769 13.495 1.00 50.00 C -ATOM 2557 O GLY A 156 -9.930 -5.275 14.487 1.00 50.00 O -ATOM 2558 H GLY A 156 -10.560 -6.621 10.502 1.00 50.00 H -ATOM 2559 1HA GLY A 156 -11.105 -7.068 13.202 1.00 50.00 H -ATOM 2560 2HA GLY A 156 -9.634 -7.578 12.395 1.00 50.00 H -ATOM 2561 N MET A 157 -8.197 -5.529 13.132 1.00 0.00 N -ATOM 2562 CA MET A 157 -7.296 -4.782 13.983 1.00 0.00 C -ATOM 2563 C MET A 157 -7.309 -3.314 13.608 1.00 0.00 C -ATOM 2564 O MET A 157 -7.988 -2.945 12.691 1.00 0.00 O -ATOM 2565 CB MET A 157 -5.888 -5.384 13.942 1.00 0.00 C -ATOM 2566 CG MET A 157 -4.977 -5.066 12.746 1.00 0.00 C -ATOM 2567 SD MET A 157 -3.201 -5.170 13.219 1.00 0.00 S -ATOM 2568 CE MET A 157 -3.110 -6.845 13.890 1.00 0.00 C -ATOM 2569 H MET A 157 -7.862 -5.873 12.243 1.00 0.00 H -ATOM 2570 HA MET A 157 -7.665 -4.834 15.007 1.00 0.00 H -ATOM 2571 1HB MET A 157 -5.331 -5.066 14.822 1.00 0.00 H -ATOM 2572 2HB MET A 157 -5.956 -6.472 13.973 1.00 0.00 H -ATOM 2573 1HG MET A 157 -5.176 -5.771 11.940 1.00 0.00 H -ATOM 2574 2HG MET A 157 -5.193 -4.062 12.381 1.00 0.00 H -ATOM 2575 1HE MET A 157 -2.091 -7.051 14.218 1.00 0.00 H -ATOM 2576 2HE MET A 157 -3.790 -6.935 14.738 1.00 0.00 H -ATOM 2577 3HE MET A 157 -3.395 -7.562 13.119 1.00 0.00 H -ATOM 2578 N SER A 158 -6.545 -2.486 14.332 1.00 0.00 N -ATOM 2579 CA SER A 158 -6.371 -1.083 13.990 1.00 0.00 C -ATOM 2580 C SER A 158 -5.723 -0.865 12.615 1.00 0.00 C -ATOM 2581 O SER A 158 -4.885 -1.642 12.143 1.00 0.00 O -ATOM 2582 CB SER A 158 -5.528 -0.392 15.033 1.00 0.00 C -ATOM 2583 OG SER A 158 -6.103 -0.594 16.277 1.00 0.00 O -ATOM 2584 H SER A 158 -6.074 -2.856 15.145 1.00 0.00 H -ATOM 2585 HA SER A 158 -7.353 -0.609 13.962 1.00 0.00 H -ATOM 2586 1HB SER A 158 -4.515 -0.793 15.006 1.00 0.00 H -ATOM 2587 2HB SER A 158 -5.466 0.671 14.804 1.00 0.00 H -ATOM 2588 HG SER A 158 -6.888 -1.125 16.123 1.00 0.00 H -ATOM 2589 N MET A 159 -6.134 0.218 11.965 1.00 50.00 N -ATOM 2590 CA MET A 159 -5.626 0.533 10.656 1.00 50.00 C -ATOM 2591 C MET A 159 -4.494 1.523 10.841 1.00 50.00 C -ATOM 2592 O MET A 159 -4.517 2.376 11.736 1.00 50.00 O -ATOM 2593 CB MET A 159 -6.745 1.116 9.771 1.00 50.00 C -ATOM 2594 CG MET A 159 -7.820 0.102 9.390 1.00 50.00 C -ATOM 2595 SD MET A 159 -7.275 -1.096 8.176 1.00 50.00 S -ATOM 2596 CE MET A 159 -7.001 -2.494 9.284 1.00 50.00 C -ATOM 2597 H MET A 159 -6.813 0.833 12.390 1.00 50.00 H -ATOM 2598 HA MET A 159 -5.261 -0.385 10.197 1.00 50.00 H -ATOM 2599 1HB MET A 159 -7.227 1.943 10.291 1.00 50.00 H -ATOM 2600 2HB MET A 159 -6.312 1.515 8.853 1.00 50.00 H -ATOM 2601 1HG MET A 159 -8.139 -0.441 10.279 1.00 50.00 H -ATOM 2602 2HG MET A 159 -8.685 0.625 8.982 1.00 50.00 H -ATOM 2603 1HE MET A 159 -6.653 -3.352 8.708 1.00 50.00 H -ATOM 2604 2HE MET A 159 -6.250 -2.227 10.029 1.00 50.00 H -ATOM 2605 3HE MET A 159 -7.935 -2.749 9.786 1.00 50.00 H -ATOM 2606 N ALA A 160 -3.483 1.408 9.985 1.00 0.00 N -ATOM 2607 CA ALA A 160 -2.404 2.387 9.960 1.00 0.00 C -ATOM 2608 C ALA A 160 -2.957 3.541 9.127 1.00 0.00 C -ATOM 2609 O ALA A 160 -2.830 3.541 7.914 1.00 0.00 O -ATOM 2610 CB ALA A 160 -1.154 1.742 9.332 1.00 0.00 C -ATOM 2611 H ALA A 160 -3.458 0.631 9.340 1.00 0.00 H -ATOM 2612 HA ALA A 160 -2.186 2.678 10.988 1.00 0.00 H -ATOM 2613 1HB ALA A 160 -0.342 2.469 9.310 1.00 0.00 H -ATOM 2614 2HB ALA A 160 -0.853 0.879 9.926 1.00 0.00 H -ATOM 2615 3HB ALA A 160 -1.382 1.422 8.317 1.00 0.00 H -ATOM 2616 N ASN A 161 -3.611 4.500 9.793 1.00 50.00 N -ATOM 2617 CA ASN A 161 -4.283 5.606 9.107 1.00 50.00 C -ATOM 2618 C ASN A 161 -3.294 6.555 8.450 1.00 50.00 C -ATOM 2619 O ASN A 161 -3.554 7.064 7.361 1.00 50.00 O -ATOM 2620 CB ASN A 161 -5.188 6.414 10.022 1.00 50.00 C -ATOM 2621 CG ASN A 161 -6.345 5.596 10.571 1.00 50.00 C -ATOM 2622 OD1 ASN A 161 -6.553 5.558 11.777 1.00 50.00 O -ATOM 2623 ND2 ASN A 161 -7.097 4.942 9.700 1.00 50.00 N -ATOM 2624 H ASN A 161 -3.640 4.456 10.802 1.00 50.00 H -ATOM 2625 HA ASN A 161 -4.908 5.193 8.314 1.00 50.00 H -ATOM 2626 1HB ASN A 161 -4.606 6.804 10.858 1.00 50.00 H -ATOM 2627 2HB ASN A 161 -5.589 7.268 9.476 1.00 50.00 H -ATOM 2628 1HD2 ASN A 161 -7.869 4.392 10.020 1.00 50.00 H -ATOM 2629 2HD2 ASN A 161 -6.894 4.998 8.723 1.00 50.00 H -ATOM 2630 N GLY A 162 -2.133 6.718 9.085 1.00 50.00 N -ATOM 2631 CA GLY A 162 -1.093 7.574 8.553 1.00 50.00 C -ATOM 2632 C GLY A 162 -0.479 6.964 7.328 1.00 50.00 C -ATOM 2633 O GLY A 162 -0.303 7.642 6.350 1.00 50.00 O -ATOM 2634 H GLY A 162 -1.974 6.234 9.957 1.00 50.00 H -ATOM 2635 1HA GLY A 162 -1.513 8.550 8.312 1.00 50.00 H -ATOM 2636 2HA GLY A 162 -0.328 7.732 9.313 1.00 50.00 H -ATOM 2637 N ALA A 163 -0.138 5.673 7.390 1.00 0.00 N -ATOM 2638 CA ALA A 163 0.364 4.973 6.219 1.00 0.00 C -ATOM 2639 C ALA A 163 -0.644 5.070 5.069 1.00 0.00 C -ATOM 2640 O ALA A 163 -0.237 5.149 3.912 1.00 0.00 O -ATOM 2641 CB ALA A 163 0.676 3.505 6.507 1.00 0.00 C -ATOM 2642 H ALA A 163 -0.229 5.171 8.262 1.00 0.00 H -ATOM 2643 HA ALA A 163 1.289 5.457 5.906 1.00 0.00 H -ATOM 2644 1HB ALA A 163 1.048 3.027 5.600 1.00 0.00 H -ATOM 2645 2HB ALA A 163 1.434 3.440 7.288 1.00 0.00 H -ATOM 2646 3HB ALA A 163 -0.230 2.999 6.838 1.00 0.00 H -ATOM 2647 N HIS A 164 -1.951 4.975 5.371 1.00 50.00 N -ATOM 2648 CA HIS A 164 -2.958 4.974 4.298 1.00 50.00 C -ATOM 2649 C HIS A 164 -3.026 6.315 3.587 1.00 50.00 C -ATOM 2650 O HIS A 164 -3.044 6.360 2.347 1.00 50.00 O -ATOM 2651 CB HIS A 164 -4.335 4.565 4.794 1.00 50.00 C -ATOM 2652 CG HIS A 164 -4.469 3.097 5.028 1.00 50.00 C -ATOM 2653 ND1 HIS A 164 -5.401 2.562 5.888 1.00 50.00 N -ATOM 2654 CD2 HIS A 164 -3.771 2.048 4.538 1.00 50.00 C -ATOM 2655 CE1 HIS A 164 -5.308 1.247 5.879 1.00 50.00 C -ATOM 2656 NE2 HIS A 164 -4.311 0.906 5.084 1.00 50.00 N -ATOM 2657 H HIS A 164 -2.255 4.904 6.331 1.00 50.00 H -ATOM 2658 HA HIS A 164 -2.669 4.259 3.528 1.00 50.00 H -ATOM 2659 1HB HIS A 164 -4.554 5.084 5.728 1.00 50.00 H -ATOM 2660 2HB HIS A 164 -5.088 4.867 4.067 1.00 50.00 H -ATOM 2661 HD2 HIS A 164 -2.934 2.099 3.842 1.00 50.00 H -ATOM 2662 HE1 HIS A 164 -5.946 0.559 6.433 1.00 50.00 H -ATOM 2663 HE2 HIS A 164 -3.995 -0.036 4.904 1.00 50.00 H -ATOM 2664 N ILE A 165 -3.071 7.394 4.383 1.00 50.00 N -ATOM 2665 CA ILE A 165 -3.229 8.733 3.872 1.00 50.00 C -ATOM 2666 C ILE A 165 -1.964 9.076 3.076 1.00 50.00 C -ATOM 2667 O ILE A 165 -2.040 9.587 1.980 1.00 50.00 O -ATOM 2668 CB ILE A 165 -3.393 9.796 4.981 1.00 50.00 C -ATOM 2669 CG1 ILE A 165 -4.583 9.512 5.874 1.00 50.00 C -ATOM 2670 CG2 ILE A 165 -3.602 11.175 4.368 1.00 50.00 C -ATOM 2671 CD1 ILE A 165 -4.469 10.182 7.244 1.00 50.00 C -ATOM 2672 H ILE A 165 -2.990 7.254 5.380 1.00 50.00 H -ATOM 2673 HA ILE A 165 -4.129 8.765 3.259 1.00 50.00 H -ATOM 2674 HB ILE A 165 -2.497 9.816 5.601 1.00 50.00 H -ATOM 2675 1HG1 ILE A 165 -5.494 9.860 5.388 1.00 50.00 H -ATOM 2676 2HG1 ILE A 165 -4.681 8.436 6.018 1.00 50.00 H -ATOM 2677 1HG2 ILE A 165 -3.716 11.913 5.162 1.00 50.00 H -ATOM 2678 2HG2 ILE A 165 -2.741 11.434 3.754 1.00 50.00 H -ATOM 2679 3HG2 ILE A 165 -4.499 11.166 3.749 1.00 50.00 H -ATOM 2680 1HD1 ILE A 165 -5.350 9.943 7.841 1.00 50.00 H -ATOM 2681 2HD1 ILE A 165 -3.576 9.819 7.754 1.00 50.00 H -ATOM 2682 3HD1 ILE A 165 -4.401 11.261 7.116 1.00 50.00 H -ATOM 2683 N ALA A 166 -0.797 8.779 3.647 1.00 50.00 N -ATOM 2684 CA ALA A 166 0.461 9.080 3.004 1.00 50.00 C -ATOM 2685 C ALA A 166 0.664 8.321 1.649 1.00 50.00 C -ATOM 2686 O ALA A 166 1.108 8.901 0.658 1.00 50.00 O -ATOM 2687 CB ALA A 166 1.574 8.814 3.970 1.00 50.00 C -ATOM 2688 H ALA A 166 -0.792 8.332 4.553 1.00 50.00 H -ATOM 2689 HA ALA A 166 0.458 10.135 2.731 1.00 50.00 H -ATOM 2690 1HB ALA A 166 2.529 9.038 3.495 1.00 50.00 H -ATOM 2691 2HB ALA A 166 1.450 9.444 4.851 1.00 50.00 H -ATOM 2692 3HB ALA A 166 1.554 7.767 4.268 1.00 50.00 H -ATOM 2693 N GLY A 167 0.284 7.049 1.612 1.00 0.00 N -ATOM 2694 CA GLY A 167 0.439 6.199 0.445 1.00 0.00 C -ATOM 2695 C GLY A 167 -0.467 6.715 -0.657 1.00 0.00 C -ATOM 2696 O GLY A 167 -0.024 6.926 -1.779 1.00 0.00 O -ATOM 2697 H GLY A 167 -0.134 6.666 2.448 1.00 0.00 H -ATOM 2698 1HA GLY A 167 1.482 6.204 0.127 1.00 0.00 H -ATOM 2699 2HA GLY A 167 0.188 5.172 0.707 1.00 0.00 H -ATOM 2700 N LEU A 168 -1.731 6.985 -0.312 1.00 50.00 N -ATOM 2701 CA LEU A 168 -2.696 7.517 -1.286 1.00 50.00 C -ATOM 2702 C LEU A 168 -2.163 8.834 -1.878 1.00 50.00 C -ATOM 2703 O LEU A 168 -2.162 8.995 -3.085 1.00 50.00 O -ATOM 2704 CB LEU A 168 -4.066 7.763 -0.643 1.00 50.00 C -ATOM 2705 CG LEU A 168 -5.214 8.272 -1.534 1.00 50.00 C -ATOM 2706 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 50.00 C -ATOM 2707 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 50.00 C -ATOM 2708 H LEU A 168 -2.031 6.820 0.638 1.00 50.00 H -ATOM 2709 HA LEU A 168 -2.822 6.785 -2.083 1.00 50.00 H -ATOM 2710 1HB LEU A 168 -4.414 6.831 -0.200 1.00 50.00 H -ATOM 2711 2HB LEU A 168 -3.949 8.498 0.153 1.00 50.00 H -ATOM 2712 HG LEU A 168 -4.964 9.261 -1.920 1.00 50.00 H -ATOM 2713 1HD1 LEU A 168 -6.257 7.746 -3.342 1.00 50.00 H -ATOM 2714 2HD1 LEU A 168 -4.532 7.313 -3.336 1.00 50.00 H -ATOM 2715 3HD1 LEU A 168 -5.693 6.355 -2.387 1.00 50.00 H -ATOM 2716 1HD2 LEU A 168 -7.302 8.701 -1.287 1.00 50.00 H -ATOM 2717 2HD2 LEU A 168 -6.704 7.349 -0.295 1.00 50.00 H -ATOM 2718 3HD2 LEU A 168 -6.306 9.026 0.152 1.00 50.00 H -ATOM 2719 N ALA A 169 -1.712 9.746 -1.003 1.00 50.00 N -ATOM 2720 CA ALA A 169 -1.125 11.018 -1.399 1.00 50.00 C -ATOM 2721 C ALA A 169 0.039 10.857 -2.376 1.00 50.00 C -ATOM 2722 O ALA A 169 0.122 11.566 -3.354 1.00 50.00 O -ATOM 2723 CB ALA A 169 -0.655 11.790 -0.174 1.00 50.00 C -ATOM 2724 H ALA A 169 -1.790 9.525 -0.021 1.00 50.00 H -ATOM 2725 HA ALA A 169 -1.892 11.600 -1.910 1.00 50.00 H -ATOM 2726 1HB ALA A 169 -0.219 12.739 -0.487 1.00 50.00 H -ATOM 2727 2HB ALA A 169 -1.503 11.980 0.484 1.00 50.00 H -ATOM 2728 3HB ALA A 169 0.093 11.205 0.359 1.00 50.00 H -ATOM 2729 N VAL A 170 0.961 9.945 -2.058 1.00 50.00 N -ATOM 2730 CA VAL A 170 2.125 9.690 -2.900 1.00 50.00 C -ATOM 2731 C VAL A 170 1.696 9.250 -4.321 1.00 50.00 C -ATOM 2732 O VAL A 170 2.227 9.733 -5.309 1.00 50.00 O -ATOM 2733 CB VAL A 170 3.022 8.616 -2.266 1.00 50.00 C -ATOM 2734 CG1 VAL A 170 3.965 7.995 -3.280 1.00 50.00 C -ATOM 2735 CG2 VAL A 170 3.825 9.209 -1.161 1.00 50.00 C -ATOM 2736 H VAL A 170 0.845 9.416 -1.205 1.00 50.00 H -ATOM 2737 HA VAL A 170 2.697 10.614 -2.989 1.00 50.00 H -ATOM 2738 HB VAL A 170 2.393 7.818 -1.870 1.00 50.00 H -ATOM 2739 1HG1 VAL A 170 4.581 7.241 -2.790 1.00 50.00 H -ATOM 2740 2HG1 VAL A 170 3.386 7.528 -4.077 1.00 50.00 H -ATOM 2741 3HG1 VAL A 170 4.607 8.768 -3.701 1.00 50.00 H -ATOM 2742 1HG2 VAL A 170 4.457 8.440 -0.717 1.00 50.00 H -ATOM 2743 2HG2 VAL A 170 4.450 10.010 -1.555 1.00 50.00 H -ATOM 2744 3HG2 VAL A 170 3.156 9.612 -0.400 1.00 50.00 H -ATOM 2745 N GLY A 171 0.735 8.332 -4.388 1.00 50.00 N -ATOM 2746 CA GLY A 171 0.204 7.817 -5.630 1.00 50.00 C -ATOM 2747 C GLY A 171 -0.390 8.924 -6.496 1.00 50.00 C -ATOM 2748 O GLY A 171 -0.091 9.054 -7.681 1.00 50.00 O -ATOM 2749 H GLY A 171 0.366 7.985 -3.514 1.00 50.00 H -ATOM 2750 1HA GLY A 171 0.996 7.311 -6.183 1.00 50.00 H -ATOM 2751 2HA GLY A 171 -0.564 7.074 -5.417 1.00 50.00 H -ATOM 2752 N LEU A 172 -1.279 9.711 -5.892 1.00 50.00 N -ATOM 2753 CA LEU A 172 -1.934 10.817 -6.579 1.00 50.00 C -ATOM 2754 C LEU A 172 -0.900 11.798 -7.127 1.00 50.00 C -ATOM 2755 O LEU A 172 -0.999 12.248 -8.262 1.00 50.00 O -ATOM 2756 CB LEU A 172 -2.907 11.536 -5.652 1.00 50.00 C -ATOM 2757 CG LEU A 172 -4.128 10.678 -5.252 1.00 50.00 C -ATOM 2758 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 50.00 C -ATOM 2759 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 50.00 C -ATOM 2760 H LEU A 172 -1.504 9.531 -4.924 1.00 50.00 H -ATOM 2761 HA LEU A 172 -2.495 10.416 -7.422 1.00 50.00 H -ATOM 2762 1HB LEU A 172 -2.374 11.830 -4.749 1.00 50.00 H -ATOM 2763 2HB LEU A 172 -3.260 12.438 -6.151 1.00 50.00 H -ATOM 2764 HG LEU A 172 -3.794 9.820 -4.667 1.00 50.00 H -ATOM 2765 1HD1 LEU A 172 -5.875 10.855 -4.008 1.00 50.00 H -ATOM 2766 2HD1 LEU A 172 -4.445 11.717 -3.394 1.00 50.00 H -ATOM 2767 3HD1 LEU A 172 -5.359 12.376 -4.772 1.00 50.00 H -ATOM 2768 1HD2 LEU A 172 -5.785 9.522 -5.985 1.00 50.00 H -ATOM 2769 2HD2 LEU A 172 -5.355 10.920 -7.000 1.00 50.00 H -ATOM 2770 3HD2 LEU A 172 -4.333 9.462 -7.012 1.00 50.00 H -ATOM 2771 N ALA A 173 0.112 12.094 -6.313 1.00 50.00 N -ATOM 2772 CA ALA A 173 1.126 13.088 -6.614 1.00 50.00 C -ATOM 2773 C ALA A 173 2.056 12.649 -7.741 1.00 50.00 C -ATOM 2774 O ALA A 173 2.455 13.451 -8.558 1.00 50.00 O -ATOM 2775 CB ALA A 173 1.934 13.418 -5.348 1.00 50.00 C -ATOM 2776 H ALA A 173 0.162 11.589 -5.440 1.00 50.00 H -ATOM 2777 HA ALA A 173 0.623 13.991 -6.960 1.00 50.00 H -ATOM 2778 1HB ALA A 173 2.692 14.165 -5.585 1.00 50.00 H -ATOM 2779 2HB ALA A 173 1.265 13.810 -4.581 1.00 50.00 H -ATOM 2780 3HB ALA A 173 2.418 12.515 -4.980 1.00 50.00 H -ATOM 2781 N MET A 174 2.456 11.374 -7.721 1.00 50.00 N -ATOM 2782 CA MET A 174 3.263 10.831 -8.793 1.00 50.00 C -ATOM 2783 C MET A 174 2.489 10.773 -10.114 1.00 50.00 C -ATOM 2784 O MET A 174 3.076 10.989 -11.207 1.00 50.00 O -ATOM 2785 CB MET A 174 3.823 9.468 -8.421 1.00 50.00 C -ATOM 2786 CG MET A 174 4.950 9.544 -7.388 1.00 50.00 C -ATOM 2787 SD MET A 174 5.485 7.875 -6.908 1.00 50.00 S -ATOM 2788 CE MET A 174 6.720 7.563 -8.202 1.00 50.00 C -ATOM 2789 H MET A 174 2.195 10.776 -6.950 1.00 50.00 H -ATOM 2790 HA MET A 174 4.098 11.507 -8.973 1.00 50.00 H -ATOM 2791 1HB MET A 174 3.026 8.845 -8.019 1.00 50.00 H -ATOM 2792 2HB MET A 174 4.205 8.975 -9.316 1.00 50.00 H -ATOM 2793 1HG MET A 174 5.793 10.091 -7.809 1.00 50.00 H -ATOM 2794 2HG MET A 174 4.601 10.082 -6.507 1.00 50.00 H -ATOM 2795 1HE MET A 174 7.154 6.573 -8.060 1.00 50.00 H -ATOM 2796 2HE MET A 174 6.242 7.613 -9.181 1.00 50.00 H -ATOM 2797 3HE MET A 174 7.507 8.316 -8.143 1.00 50.00 H -ATOM 2798 N ALA A 175 1.181 10.484 -10.015 1.00 50.00 N -ATOM 2799 CA ALA A 175 0.295 10.448 -11.182 1.00 50.00 C -ATOM 2800 C ALA A 175 0.215 11.831 -11.828 1.00 50.00 C -ATOM 2801 O ALA A 175 0.305 11.953 -13.028 1.00 50.00 O -ATOM 2802 CB ALA A 175 -1.097 9.927 -10.804 1.00 50.00 C -ATOM 2803 H ALA A 175 0.799 10.285 -9.101 1.00 50.00 H -ATOM 2804 HA ALA A 175 0.730 9.771 -11.917 1.00 50.00 H -ATOM 2805 1HB ALA A 175 -1.732 9.911 -11.689 1.00 50.00 H -ATOM 2806 2HB ALA A 175 -1.011 8.918 -10.401 1.00 50.00 H -ATOM 2807 3HB ALA A 175 -1.538 10.580 -10.053 1.00 50.00 H -ATOM 2808 N PHE A 176 0.054 12.852 -10.984 1.00 50.00 N -ATOM 2809 CA PHE A 176 0.043 14.263 -11.341 1.00 50.00 C -ATOM 2810 C PHE A 176 1.325 14.661 -12.052 1.00 50.00 C -ATOM 2811 O PHE A 176 1.297 15.234 -13.155 1.00 50.00 O -ATOM 2812 CB PHE A 176 -0.137 15.127 -10.076 1.00 50.00 C -ATOM 2813 CG PHE A 176 -0.197 16.578 -10.362 1.00 50.00 C -ATOM 2814 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 50.00 C -ATOM 2815 CD2 PHE A 176 0.963 17.332 -10.422 1.00 50.00 C -ATOM 2816 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 50.00 C -ATOM 2817 CE2 PHE A 176 0.921 18.675 -10.737 1.00 50.00 C -ATOM 2818 CZ PHE A 176 -0.288 19.268 -10.997 1.00 50.00 C -ATOM 2819 H PHE A 176 -0.069 12.588 -10.017 1.00 50.00 H -ATOM 2820 HA PHE A 176 -0.797 14.443 -12.014 1.00 50.00 H -ATOM 2821 1HB PHE A 176 -1.055 14.838 -9.566 1.00 50.00 H -ATOM 2822 2HB PHE A 176 0.690 14.945 -9.390 1.00 50.00 H -ATOM 2823 HD1 PHE A 176 -2.318 16.594 -10.587 1.00 50.00 H -ATOM 2824 HD2 PHE A 176 1.919 16.851 -10.214 1.00 50.00 H -ATOM 2825 HE1 PHE A 176 -2.408 19.001 -11.144 1.00 50.00 H -ATOM 2826 HE2 PHE A 176 1.837 19.264 -10.781 1.00 50.00 H -ATOM 2827 HZ PHE A 176 -0.330 20.327 -11.250 1.00 50.00 H -ATOM 2828 N VAL A 177 2.456 14.347 -11.417 1.00 50.00 N -ATOM 2829 CA VAL A 177 3.759 14.644 -11.975 1.00 50.00 C -ATOM 2830 C VAL A 177 3.925 13.931 -13.317 1.00 50.00 C -ATOM 2831 O VAL A 177 4.273 14.555 -14.262 1.00 50.00 O -ATOM 2832 CB VAL A 177 4.911 14.272 -10.989 1.00 50.00 C -ATOM 2833 CG1 VAL A 177 6.291 14.307 -11.689 1.00 50.00 C -ATOM 2834 CG2 VAL A 177 4.873 15.193 -9.747 1.00 50.00 C -ATOM 2835 H VAL A 177 2.398 13.888 -10.519 1.00 50.00 H -ATOM 2836 HA VAL A 177 3.816 15.715 -12.170 1.00 50.00 H -ATOM 2837 HB VAL A 177 4.786 13.236 -10.674 1.00 50.00 H -ATOM 2838 1HG1 VAL A 177 7.069 14.043 -10.973 1.00 50.00 H -ATOM 2839 2HG1 VAL A 177 6.299 13.594 -12.513 1.00 50.00 H -ATOM 2840 3HG1 VAL A 177 6.479 15.309 -12.074 1.00 50.00 H -ATOM 2841 1HG2 VAL A 177 5.681 14.922 -9.068 1.00 50.00 H -ATOM 2842 2HG2 VAL A 177 4.994 16.230 -10.059 1.00 50.00 H -ATOM 2843 3HG2 VAL A 177 3.917 15.077 -9.237 1.00 50.00 H -ATOM 2844 N ASP A 178 3.633 12.626 -13.374 1.00 0.00 N -ATOM 2845 CA ASP A 178 3.731 11.864 -14.625 1.00 0.00 C -ATOM 2846 C ASP A 178 2.784 12.343 -15.736 1.00 0.00 C -ATOM 2847 O ASP A 178 3.082 12.152 -16.911 1.00 0.00 O -ATOM 2848 CB ASP A 178 3.514 10.398 -14.411 1.00 0.00 C -ATOM 2849 CG ASP A 178 4.596 9.765 -13.576 1.00 0.00 C -ATOM 2850 OD1 ASP A 178 5.593 10.461 -13.286 1.00 0.00 O -ATOM 2851 OD2 ASP A 178 4.477 8.550 -13.222 1.00 0.00 O -ATOM 2852 H ASP A 178 3.337 12.153 -12.532 1.00 0.00 H -ATOM 2853 HA ASP A 178 4.733 11.997 -15.034 1.00 0.00 H -ATOM 2854 1HB ASP A 178 2.554 10.240 -13.919 1.00 0.00 H -ATOM 2855 2HB ASP A 178 3.474 9.891 -15.376 1.00 0.00 H -ATOM 2856 N SER A 179 1.685 12.998 -15.350 1.00 0.00 N -ATOM 2857 CA SER A 179 0.691 13.529 -16.280 1.00 0.00 C -ATOM 2858 C SER A 179 1.080 14.864 -16.891 1.00 0.00 C -ATOM 2859 O SER A 179 0.421 15.345 -17.837 1.00 0.00 O -ATOM 2860 CB SER A 179 -0.619 13.751 -15.552 1.00 0.00 C -ATOM 2861 OG SER A 179 -1.196 12.529 -15.190 1.00 0.00 O -ATOM 2862 H SER A 179 1.548 13.125 -14.358 1.00 0.00 H -ATOM 2863 HA SER A 179 0.537 12.799 -17.076 1.00 0.00 H -ATOM 2864 1HB SER A 179 -0.443 14.354 -14.662 1.00 0.00 H -ATOM 2865 2HB SER A 179 -1.302 14.306 -16.194 1.00 0.00 H -ATOM 2866 HG SER A 179 -0.596 11.849 -15.505 1.00 0.00 H -ATOM 2867 N LEU A 180 2.102 15.514 -16.328 1.00 0.00 N -ATOM 2868 CA LEU A 180 2.530 16.784 -16.880 1.00 0.00 C -ATOM 2869 C LEU A 180 3.251 16.541 -18.220 1.00 0.00 C -ATOM 2870 O LEU A 180 3.106 17.345 -19.167 1.00 0.00 O -ATOM 2871 CB LEU A 180 3.360 17.564 -15.869 1.00 0.00 C -ATOM 2872 CG LEU A 180 2.564 18.112 -14.687 1.00 0.00 C -ATOM 2873 CD1 LEU A 180 3.519 18.812 -13.741 1.00 0.00 C -ATOM 2874 CD2 LEU A 180 1.477 19.071 -15.132 1.00 0.00 C -ATOM 2875 H LEU A 180 2.585 15.139 -15.524 1.00 0.00 H -ATOM 2876 HA LEU A 180 1.645 17.370 -17.125 1.00 0.00 H -ATOM 2877 1HB LEU A 180 4.141 16.911 -15.483 1.00 0.00 H -ATOM 2878 2HB LEU A 180 3.835 18.401 -16.381 1.00 0.00 H -ATOM 2879 HG LEU A 180 2.093 17.287 -14.152 1.00 0.00 H -ATOM 2880 1HD1 LEU A 180 2.964 19.209 -12.891 1.00 0.00 H -ATOM 2881 2HD1 LEU A 180 4.266 18.101 -13.386 1.00 0.00 H -ATOM 2882 3HD1 LEU A 180 4.015 19.629 -14.264 1.00 0.00 H -ATOM 2883 1HD2 LEU A 180 0.935 19.437 -14.260 1.00 0.00 H -ATOM 2884 2HD2 LEU A 180 1.927 19.913 -15.658 1.00 0.00 H -ATOM 2885 3HD2 LEU A 180 0.786 18.554 -15.798 1.00 0.00 H -ATOM 2886 N ASN A 181 3.971 15.410 -18.299 1.00 0.00 N -ATOM 2887 CA ASN A 181 4.630 14.949 -19.529 1.00 0.00 C -ATOM 2888 C ASN A 181 3.612 14.475 -20.596 1.00 0.00 C -ATOM 2889 O ASN A 181 2.747 13.619 -20.311 1.00 0.00 O -ATOM 2890 CB ASN A 181 5.617 13.800 -19.244 1.00 0.00 C -ATOM 2891 CG ASN A 181 6.565 14.084 -18.071 1.00 0.00 C -ATOM 2892 OD1 ASN A 181 7.642 14.666 -18.241 1.00 0.00 O -ATOM 2893 ND2 ASN A 181 6.176 13.634 -16.880 1.00 0.00 N -ATOM 2894 H ASN A 181 4.055 14.856 -17.459 1.00 0.00 H -ATOM 2895 HA ASN A 181 5.192 15.782 -19.954 1.00 0.00 H -ATOM 2896 1HB ASN A 181 5.060 12.888 -19.022 1.00 0.00 H -ATOM 2897 2HB ASN A 181 6.219 13.608 -20.133 1.00 0.00 H -ATOM 2898 1HD2 ASN A 181 6.750 13.787 -16.075 1.00 0.00 H -ATOM 2899 2HD2 ASN A 181 5.310 13.143 -16.790 1.00 0.00 H -ATOM 2900 N ALA A 182 3.738 15.038 -21.812 1.00 0.00 N -ATOM 2901 CA ALA A 182 2.865 14.773 -22.969 1.00 0.00 C -ATOM 2902 C ALA A 182 1.379 14.774 -22.610 1.00 0.00 C -ATOM 2903 O ALA A 182 0.937 15.551 -21.763 1.00 0.00 O -ATOM 2904 OXT ALA A 182 0.629 14.012 -23.156 1.00 0.00 O -ATOM 2905 CB ALA A 182 3.249 13.467 -23.654 1.00 0.00 C -ATOM 2906 H ALA A 182 4.502 15.692 -21.911 1.00 0.00 H -ATOM 2907 HA ALA A 182 2.989 15.589 -23.681 1.00 0.00 H -ATOM 2908 1HB ALA A 182 2.590 13.295 -24.505 1.00 0.00 H -ATOM 2909 2HB ALA A 182 4.281 13.528 -24.001 1.00 0.00 H -ATOM 2910 3HB ALA A 182 3.152 12.644 -22.948 1.00 0.00 H +REMARK 220 +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 0.00 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 0.00 C +ATOM 3 C GLU A 1 0.857 -13.260 -17.825 1.00 0.00 C +ATOM 4 O GLU A 1 -0.271 -13.118 -18.312 1.00 0.00 O +ATOM 5 CB GLU A 1 3.113 -14.381 -17.880 1.00 0.00 C +ATOM 6 CG GLU A 1 3.636 -14.484 -16.462 1.00 0.00 C +ATOM 7 CD GLU A 1 5.131 -14.384 -16.480 1.00 0.00 C +ATOM 8 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 0.00 O +ATOM 9 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 0.00 O +ATOM 10 1H GLU A 1 1.819 -16.055 -19.445 1.00 0.00 H +ATOM 11 2H GLU A 1 0.331 -15.385 -19.424 1.00 0.00 H +ATOM 12 3H GLU A 1 1.583 -14.571 -20.083 1.00 0.00 H +ATOM 13 HA GLU A 1 1.261 -15.258 -17.247 1.00 0.00 H +ATOM 14 1HB GLU A 1 3.640 -15.123 -18.479 1.00 0.00 H +ATOM 15 2HB GLU A 1 3.388 -13.397 -18.261 1.00 0.00 H +ATOM 16 1HG GLU A 1 3.203 -13.680 -15.867 1.00 0.00 H +ATOM 17 2HG GLU A 1 3.311 -15.431 -16.034 1.00 0.00 H +ATOM 18 N ARG A 2 1.498 -12.314 -17.122 1.00 0.00 N +ATOM 19 CA ARG A 2 0.857 -11.127 -16.537 1.00 0.00 C +ATOM 20 C ARG A 2 1.897 -10.383 -15.668 1.00 0.00 C +ATOM 21 O ARG A 2 2.339 -9.293 -16.033 1.00 0.00 O +ATOM 22 CB ARG A 2 -0.418 -11.529 -15.735 1.00 0.00 C +ATOM 23 CG ARG A 2 -0.876 -10.604 -14.599 1.00 0.00 C +ATOM 24 CD ARG A 2 -2.086 -9.742 -14.940 1.00 0.00 C +ATOM 25 NE ARG A 2 -2.035 -8.405 -14.316 1.00 0.00 N +ATOM 26 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 0.00 C +ATOM 27 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 0.00 N +ATOM 28 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 0.00 N +ATOM 29 H ARG A 2 2.491 -12.448 -16.999 1.00 0.00 H +ATOM 30 HA ARG A 2 0.561 -10.459 -17.347 1.00 0.00 H +ATOM 31 1HB ARG A 2 -1.265 -11.609 -16.415 1.00 0.00 H +ATOM 32 2HB ARG A 2 -0.269 -12.509 -15.281 1.00 0.00 H +ATOM 33 1HG ARG A 2 -1.147 -11.203 -13.729 1.00 0.00 H +ATOM 34 2HG ARG A 2 -0.065 -9.924 -14.334 1.00 0.00 H +ATOM 35 1HD ARG A 2 -2.140 -9.602 -16.019 1.00 0.00 H +ATOM 36 2HD ARG A 2 -2.993 -10.235 -14.592 1.00 0.00 H +ATOM 37 HE ARG A 2 -1.333 -8.244 -13.606 1.00 0.00 H +ATOM 38 1HH1 ARG A 2 -3.946 -8.452 -16.007 1.00 0.00 H +ATOM 39 2HH1 ARG A 2 -4.442 -6.791 -15.773 1.00 0.00 H +ATOM 40 1HH2 ARG A 2 -2.021 -6.088 -13.335 1.00 0.00 H +ATOM 41 2HH2 ARG A 2 -3.361 -5.471 -14.275 1.00 0.00 H +ATOM 42 N ALA A 3 2.284 -10.993 -14.537 1.00 50.00 N +ATOM 43 CA ALA A 3 3.241 -10.420 -13.573 1.00 50.00 C +ATOM 44 C ALA A 3 4.710 -10.385 -14.086 1.00 50.00 C +ATOM 45 O ALA A 3 5.345 -11.444 -14.219 1.00 50.00 O +ATOM 46 CB ALA A 3 3.187 -11.202 -12.236 1.00 50.00 C +ATOM 47 H ALA A 3 1.883 -11.901 -14.352 1.00 50.00 H +ATOM 48 HA ALA A 3 2.957 -9.384 -13.389 1.00 50.00 H +ATOM 49 1HB ALA A 3 3.898 -10.769 -11.532 1.00 50.00 H +ATOM 50 2HB ALA A 3 2.182 -11.141 -11.819 1.00 50.00 H +ATOM 51 3HB ALA A 3 3.443 -12.245 -12.414 1.00 50.00 H +ATOM 52 N GLY A 4 5.236 -9.175 -14.339 1.00 50.00 N +ATOM 53 CA GLY A 4 6.659 -8.957 -14.505 1.00 50.00 C +ATOM 54 C GLY A 4 7.452 -9.302 -13.238 1.00 50.00 C +ATOM 55 O GLY A 4 6.890 -9.605 -12.176 1.00 50.00 O +ATOM 56 H GLY A 4 4.606 -8.389 -14.415 1.00 50.00 H +ATOM 57 1HA GLY A 4 7.026 -9.564 -15.333 1.00 50.00 H +ATOM 58 2HA GLY A 4 6.839 -7.915 -14.766 1.00 50.00 H +ATOM 59 N PRO A 5 8.800 -9.212 -13.289 1.00 50.00 N +ATOM 60 CA PRO A 5 9.636 -9.638 -12.164 1.00 50.00 C +ATOM 61 C PRO A 5 9.435 -8.850 -10.895 1.00 50.00 C +ATOM 62 O PRO A 5 9.602 -9.408 -9.823 1.00 50.00 O +ATOM 63 CB PRO A 5 11.081 -9.444 -12.701 1.00 50.00 C +ATOM 64 CG PRO A 5 10.927 -8.487 -13.836 1.00 50.00 C +ATOM 65 CD PRO A 5 9.571 -8.690 -14.428 1.00 50.00 C +ATOM 66 HA PRO A 5 9.438 -10.698 -11.947 1.00 50.00 H +ATOM 67 1HB PRO A 5 11.730 -9.056 -11.902 1.00 50.00 H +ATOM 68 2HB PRO A 5 11.499 -10.412 -13.014 1.00 50.00 H +ATOM 69 1HG PRO A 5 11.048 -7.453 -13.480 1.00 50.00 H +ATOM 70 2HG PRO A 5 11.712 -8.659 -14.587 1.00 50.00 H +ATOM 71 1HD PRO A 5 9.178 -7.726 -14.783 1.00 50.00 H +ATOM 72 2HD PRO A 5 9.636 -9.412 -15.256 1.00 50.00 H +ATOM 73 N VAL A 6 9.148 -7.550 -10.990 1.00 50.00 N +ATOM 74 CA VAL A 6 9.001 -6.772 -9.772 1.00 50.00 C +ATOM 75 C VAL A 6 7.694 -7.171 -9.102 1.00 50.00 C +ATOM 76 O VAL A 6 7.657 -7.437 -7.900 1.00 50.00 O +ATOM 77 CB VAL A 6 9.023 -5.261 -10.034 1.00 50.00 C +ATOM 78 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 50.00 C +ATOM 79 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 50.00 C +ATOM 80 H VAL A 6 9.030 -7.093 -11.883 1.00 50.00 H +ATOM 81 HA VAL A 6 9.836 -7.005 -9.110 1.00 50.00 H +ATOM 82 HB VAL A 6 8.234 -5.013 -10.744 1.00 50.00 H +ATOM 83 1HG1 VAL A 6 8.735 -3.417 -8.966 1.00 50.00 H +ATOM 84 2HG1 VAL A 6 7.726 -4.766 -8.393 1.00 50.00 H +ATOM 85 3HG1 VAL A 6 9.461 -4.722 -7.999 1.00 50.00 H +ATOM 86 1HG2 VAL A 6 10.379 -3.772 -10.796 1.00 50.00 H +ATOM 87 2HG2 VAL A 6 11.167 -5.097 -9.907 1.00 50.00 H +ATOM 88 3HG2 VAL A 6 10.547 -5.374 -11.552 1.00 50.00 H +ATOM 89 N THR A 7 6.617 -7.241 -9.895 1.00 50.00 N +ATOM 90 CA THR A 7 5.335 -7.735 -9.369 1.00 50.00 C +ATOM 91 C THR A 7 5.483 -9.071 -8.633 1.00 50.00 C +ATOM 92 O THR A 7 4.997 -9.248 -7.527 1.00 50.00 O +ATOM 93 CB THR A 7 4.294 -7.865 -10.467 1.00 50.00 C +ATOM 94 OG1 THR A 7 4.103 -6.566 -11.080 1.00 50.00 O +ATOM 95 CG2 THR A 7 3.000 -8.362 -9.825 1.00 50.00 C +ATOM 96 H THR A 7 6.675 -6.955 -10.862 1.00 50.00 H +ATOM 97 HA THR A 7 4.965 -7.021 -8.633 1.00 50.00 H +ATOM 98 HB THR A 7 4.644 -8.572 -11.219 1.00 50.00 H +ATOM 99 HG1 THR A 7 4.676 -5.924 -10.653 1.00 50.00 H +ATOM 100 1HG2 THR A 7 2.231 -8.466 -10.590 1.00 50.00 H +ATOM 101 2HG2 THR A 7 3.176 -9.328 -9.353 1.00 50.00 H +ATOM 102 3HG2 THR A 7 2.669 -7.646 -9.073 1.00 50.00 H +ATOM 103 N TRP A 8 6.249 -9.974 -9.253 1.00 50.00 N +ATOM 104 CA TRP A 8 6.456 -11.332 -8.776 1.00 50.00 C +ATOM 105 C TRP A 8 7.317 -11.394 -7.521 1.00 50.00 C +ATOM 106 O TRP A 8 6.993 -12.088 -6.569 1.00 50.00 O +ATOM 107 CB TRP A 8 7.106 -12.092 -9.908 1.00 50.00 C +ATOM 108 CG TRP A 8 7.535 -13.448 -9.667 1.00 50.00 C +ATOM 109 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 50.00 C +ATOM 110 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 50.00 C +ATOM 111 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 50.00 N +ATOM 112 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 50.00 C +ATOM 113 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 50.00 C +ATOM 114 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 50.00 C +ATOM 115 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 50.00 C +ATOM 116 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 50.00 C +ATOM 117 H TRP A 8 6.704 -9.677 -10.104 1.00 50.00 H +ATOM 118 HA TRP A 8 5.486 -11.765 -8.533 1.00 50.00 H +ATOM 119 1HB TRP A 8 6.418 -12.146 -10.752 1.00 50.00 H +ATOM 120 2HB TRP A 8 7.994 -11.557 -10.243 1.00 50.00 H +ATOM 121 HD1 TRP A 8 9.630 -13.360 -10.246 1.00 50.00 H +ATOM 122 HE1 TRP A 8 9.629 -15.869 -9.757 1.00 50.00 H +ATOM 123 HE3 TRP A 8 4.729 -13.845 -8.890 1.00 50.00 H +ATOM 124 HZ2 TRP A 8 7.785 -17.833 -8.857 1.00 50.00 H +ATOM 125 HZ3 TRP A 8 3.926 -16.052 -8.144 1.00 50.00 H +ATOM 126 HH2 TRP A 8 5.436 -18.051 -8.179 1.00 50.00 H +ATOM 127 N VAL A 9 8.449 -10.702 -7.545 1.00 50.00 N +ATOM 128 CA VAL A 9 9.378 -10.807 -6.459 1.00 50.00 C +ATOM 129 C VAL A 9 8.765 -10.242 -5.171 1.00 50.00 C +ATOM 130 O VAL A 9 8.952 -10.792 -4.130 1.00 50.00 O +ATOM 131 CB VAL A 9 10.766 -10.222 -6.796 1.00 50.00 C +ATOM 132 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 50.00 C +ATOM 133 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 50.00 C +ATOM 134 H VAL A 9 8.668 -10.097 -8.323 1.00 50.00 H +ATOM 135 HA VAL A 9 9.517 -11.863 -6.223 1.00 50.00 H +ATOM 136 HB VAL A 9 10.635 -9.250 -7.272 1.00 50.00 H +ATOM 137 1HG1 VAL A 9 12.570 -9.616 -5.798 1.00 50.00 H +ATOM 138 2HG1 VAL A 9 11.082 -9.344 -4.861 1.00 50.00 H +ATOM 139 3HG1 VAL A 9 11.733 -10.991 -5.039 1.00 50.00 H +ATOM 140 1HG2 VAL A 9 12.466 -10.743 -7.971 1.00 50.00 H +ATOM 141 2HG2 VAL A 9 11.607 -12.127 -7.254 1.00 50.00 H +ATOM 142 3HG2 VAL A 9 10.907 -11.269 -8.647 1.00 50.00 H +ATOM 143 N MET A 10 7.990 -9.164 -5.274 1.00 0.00 N +ATOM 144 CA MET A 10 7.335 -8.630 -4.098 1.00 0.00 C +ATOM 145 C MET A 10 6.338 -9.659 -3.482 1.00 0.00 C +ATOM 146 O MET A 10 6.192 -9.721 -2.245 1.00 0.00 O +ATOM 147 CB MET A 10 6.602 -7.366 -4.503 1.00 0.00 C +ATOM 148 CG MET A 10 5.616 -6.838 -3.464 1.00 0.00 C +ATOM 149 SD MET A 10 6.453 -6.272 -1.969 1.00 0.00 S +ATOM 150 CE MET A 10 7.261 -4.794 -2.542 1.00 0.00 C +ATOM 151 H MET A 10 7.850 -8.709 -6.165 1.00 0.00 H +ATOM 152 HA MET A 10 8.097 -8.394 -3.355 1.00 0.00 H +ATOM 153 1HB MET A 10 7.324 -6.576 -4.705 1.00 0.00 H +ATOM 154 2HB MET A 10 6.047 -7.546 -5.425 1.00 0.00 H +ATOM 155 1HG MET A 10 5.051 -6.008 -3.887 1.00 0.00 H +ATOM 156 2HG MET A 10 4.913 -7.626 -3.196 1.00 0.00 H +ATOM 157 1HE MET A 10 7.816 -4.341 -1.720 1.00 0.00 H +ATOM 158 2HE MET A 10 7.949 -5.045 -3.350 1.00 0.00 H +ATOM 159 3HE MET A 10 6.514 -4.089 -2.908 1.00 0.00 H +ATOM 160 N MET A 11 5.596 -10.381 -4.352 1.00 50.00 N +ATOM 161 CA MET A 11 4.616 -11.424 -3.940 1.00 50.00 C +ATOM 162 C MET A 11 5.335 -12.557 -3.209 1.00 50.00 C +ATOM 163 O MET A 11 4.985 -12.912 -2.093 1.00 50.00 O +ATOM 164 CB MET A 11 3.847 -11.970 -5.153 1.00 50.00 C +ATOM 165 CG MET A 11 2.837 -10.963 -5.682 1.00 50.00 C +ATOM 166 SD MET A 11 1.989 -11.336 -7.250 1.00 50.00 S +ATOM 167 CE MET A 11 0.573 -12.253 -6.625 1.00 50.00 C +ATOM 168 H MET A 11 5.726 -10.189 -5.335 1.00 50.00 H +ATOM 169 HA MET A 11 3.899 -10.973 -3.254 1.00 50.00 H +ATOM 170 1HB MET A 11 4.550 -12.223 -5.945 1.00 50.00 H +ATOM 171 2HB MET A 11 3.327 -12.887 -4.872 1.00 50.00 H +ATOM 172 1HG MET A 11 2.044 -10.824 -4.948 1.00 50.00 H +ATOM 173 2HG MET A 11 3.328 -10.003 -5.839 1.00 50.00 H +ATOM 174 1HE MET A 11 -0.058 -12.561 -7.459 1.00 50.00 H +ATOM 175 2HE MET A 11 0.920 -13.136 -6.086 1.00 50.00 H +ATOM 176 3HE MET A 11 -0.002 -11.619 -5.950 1.00 50.00 H +ATOM 177 N ILE A 12 6.378 -13.078 -3.847 1.00 50.00 N +ATOM 178 CA ILE A 12 7.225 -14.082 -3.251 1.00 50.00 C +ATOM 179 C ILE A 12 7.733 -13.619 -1.872 1.00 50.00 C +ATOM 180 O ILE A 12 7.614 -14.319 -0.867 1.00 50.00 O +ATOM 181 CB ILE A 12 8.419 -14.368 -4.183 1.00 50.00 C +ATOM 182 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 50.00 C +ATOM 183 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 50.00 C +ATOM 184 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 50.00 C +ATOM 185 H ILE A 12 6.580 -12.756 -4.783 1.00 50.00 H +ATOM 186 HA ILE A 12 6.644 -14.995 -3.126 1.00 50.00 H +ATOM 187 HB ILE A 12 8.798 -13.430 -4.587 1.00 50.00 H +ATOM 188 1HG1 ILE A 12 7.693 -16.204 -4.990 1.00 50.00 H +ATOM 189 2HG1 ILE A 12 7.055 -14.768 -5.775 1.00 50.00 H +ATOM 190 1HG2 ILE A 12 10.377 -15.253 -4.123 1.00 50.00 H +ATOM 191 2HG2 ILE A 12 9.894 -14.430 -2.621 1.00 50.00 H +ATOM 192 3HG2 ILE A 12 9.192 -16.012 -3.033 1.00 50.00 H +ATOM 193 1HD1 ILE A 12 8.625 -15.951 -7.253 1.00 50.00 H +ATOM 194 2HD1 ILE A 12 9.263 -14.346 -6.824 1.00 50.00 H +ATOM 195 3HD1 ILE A 12 9.908 -15.802 -6.030 1.00 50.00 H +ATOM 196 N ALA A 13 8.297 -12.413 -1.841 1.00 50.00 N +ATOM 197 CA ALA A 13 8.863 -11.841 -0.640 1.00 50.00 C +ATOM 198 C ALA A 13 7.841 -11.724 0.488 1.00 50.00 C +ATOM 199 O ALA A 13 8.146 -12.070 1.606 1.00 50.00 O +ATOM 200 CB ALA A 13 9.474 -10.506 -0.925 1.00 50.00 C +ATOM 201 H ALA A 13 8.326 -11.882 -2.700 1.00 50.00 H +ATOM 202 HA ALA A 13 9.643 -12.512 -0.280 1.00 50.00 H +ATOM 203 1HB ALA A 13 9.894 -10.094 -0.007 1.00 50.00 H +ATOM 204 2HB ALA A 13 10.265 -10.619 -1.667 1.00 50.00 H +ATOM 205 3HB ALA A 13 8.710 -9.831 -1.309 1.00 50.00 H +ATOM 206 N CYS A 14 6.625 -11.256 0.175 1.00 0.00 N +ATOM 207 CA CYS A 14 5.561 -11.152 1.180 1.00 0.00 C +ATOM 208 C CYS A 14 5.109 -12.538 1.731 1.00 0.00 C +ATOM 209 O CYS A 14 4.809 -12.694 2.926 1.00 0.00 O +ATOM 210 CB CYS A 14 4.344 -10.398 0.593 1.00 0.00 C +ATOM 211 SG CYS A 14 4.623 -8.631 0.452 1.00 0.00 S +ATOM 212 H CYS A 14 6.435 -10.968 -0.774 1.00 0.00 H +ATOM 213 HA CYS A 14 5.944 -10.591 2.032 1.00 0.00 H +ATOM 214 1HB CYS A 14 4.112 -10.795 -0.395 1.00 0.00 H +ATOM 215 2HB CYS A 14 3.473 -10.565 1.226 1.00 0.00 H +ATOM 216 HG CYS A 14 3.430 -8.343 -0.059 1.00 0.00 H +ATOM 217 N VAL A 15 5.080 -13.535 0.843 1.00 50.00 N +ATOM 218 CA VAL A 15 4.683 -14.857 1.236 1.00 50.00 C +ATOM 219 C VAL A 15 5.738 -15.487 2.147 1.00 50.00 C +ATOM 220 O VAL A 15 5.414 -16.031 3.216 1.00 50.00 O +ATOM 221 CB VAL A 15 4.377 -15.723 0.033 1.00 50.00 C +ATOM 222 CG1 VAL A 15 4.137 -17.138 0.509 1.00 50.00 C +ATOM 223 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 50.00 C +ATOM 224 H VAL A 15 5.339 -13.364 -0.118 1.00 50.00 H +ATOM 225 HA VAL A 15 3.778 -14.781 1.840 1.00 50.00 H +ATOM 226 HB VAL A 15 5.237 -15.716 -0.636 1.00 50.00 H +ATOM 227 1HG1 VAL A 15 3.915 -17.777 -0.346 1.00 50.00 H +ATOM 228 2HG1 VAL A 15 5.028 -17.508 1.016 1.00 50.00 H +ATOM 229 3HG1 VAL A 15 3.294 -17.151 1.199 1.00 50.00 H +ATOM 230 1HG2 VAL A 15 2.913 -15.780 -1.570 1.00 50.00 H +ATOM 231 2HG2 VAL A 15 2.280 -15.160 -0.027 1.00 50.00 H +ATOM 232 3HG2 VAL A 15 3.338 -14.139 -1.030 1.00 50.00 H +ATOM 233 N VAL A 16 7.001 -15.379 1.737 1.00 50.00 N +ATOM 234 CA VAL A 16 8.111 -15.897 2.554 1.00 50.00 C +ATOM 235 C VAL A 16 8.111 -15.248 3.958 1.00 50.00 C +ATOM 236 O VAL A 16 8.273 -15.931 4.954 1.00 50.00 O +ATOM 237 CB VAL A 16 9.469 -15.710 1.841 1.00 50.00 C +ATOM 238 CG1 VAL A 16 10.617 -15.998 2.774 1.00 50.00 C +ATOM 239 CG2 VAL A 16 9.575 -16.654 0.663 1.00 50.00 C +ATOM 240 H VAL A 16 7.206 -14.936 0.853 1.00 50.00 H +ATOM 241 HA VAL A 16 7.954 -16.964 2.714 1.00 50.00 H +ATOM 242 HB VAL A 16 9.545 -14.681 1.488 1.00 50.00 H +ATOM 243 1HG1 VAL A 16 11.560 -15.858 2.245 1.00 50.00 H +ATOM 244 2HG1 VAL A 16 10.574 -15.318 3.624 1.00 50.00 H +ATOM 245 3HG1 VAL A 16 10.549 -17.027 3.127 1.00 50.00 H +ATOM 246 1HG2 VAL A 16 10.536 -16.512 0.169 1.00 50.00 H +ATOM 247 2HG2 VAL A 16 9.495 -17.683 1.013 1.00 50.00 H +ATOM 248 3HG2 VAL A 16 8.770 -16.447 -0.043 1.00 50.00 H +ATOM 249 N VAL A 17 7.948 -13.922 4.011 1.00 0.00 N +ATOM 250 CA VAL A 17 7.915 -13.240 5.273 1.00 0.00 C +ATOM 251 C VAL A 17 6.709 -13.707 6.134 1.00 0.00 C +ATOM 252 O VAL A 17 6.846 -13.932 7.317 1.00 0.00 O +ATOM 253 CB VAL A 17 7.929 -11.725 5.129 1.00 0.00 C +ATOM 254 CG1 VAL A 17 7.750 -11.058 6.519 1.00 0.00 C +ATOM 255 CG2 VAL A 17 9.242 -11.270 4.502 1.00 0.00 C +ATOM 256 H VAL A 17 7.846 -13.387 3.160 1.00 0.00 H +ATOM 257 HA VAL A 17 8.801 -13.522 5.842 1.00 0.00 H +ATOM 258 HB VAL A 17 7.099 -11.422 4.491 1.00 0.00 H +ATOM 259 1HG1 VAL A 17 7.761 -9.974 6.406 1.00 0.00 H +ATOM 260 2HG1 VAL A 17 6.799 -11.368 6.951 1.00 0.00 H +ATOM 261 3HG1 VAL A 17 8.565 -11.362 7.176 1.00 0.00 H +ATOM 262 1HG2 VAL A 17 9.241 -10.185 4.403 1.00 0.00 H +ATOM 263 2HG2 VAL A 17 10.074 -11.576 5.137 1.00 0.00 H +ATOM 264 3HG2 VAL A 17 9.351 -11.724 3.517 1.00 0.00 H +ATOM 265 N PHE A 18 5.552 -13.895 5.494 1.00 50.00 N +ATOM 266 CA PHE A 18 4.355 -14.343 6.184 1.00 50.00 C +ATOM 267 C PHE A 18 4.559 -15.717 6.823 1.00 50.00 C +ATOM 268 O PHE A 18 4.107 -15.983 7.939 1.00 50.00 O +ATOM 269 CB PHE A 18 3.183 -14.357 5.189 1.00 50.00 C +ATOM 270 CG PHE A 18 1.836 -14.539 5.846 1.00 50.00 C +ATOM 271 CD1 PHE A 18 1.292 -13.526 6.641 1.00 50.00 C +ATOM 272 CD2 PHE A 18 1.136 -15.680 5.672 1.00 50.00 C +ATOM 273 CE1 PHE A 18 0.050 -13.682 7.240 1.00 50.00 C +ATOM 274 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 50.00 C +ATOM 275 CZ PHE A 18 -0.650 -14.855 7.073 1.00 50.00 C +ATOM 276 H PHE A 18 5.510 -13.720 4.500 1.00 50.00 H +ATOM 277 HA PHE A 18 4.137 -13.642 6.991 1.00 50.00 H +ATOM 278 1HB PHE A 18 3.168 -13.421 4.631 1.00 50.00 H +ATOM 279 2HB PHE A 18 3.325 -15.163 4.471 1.00 50.00 H +ATOM 280 HD1 PHE A 18 1.855 -12.604 6.788 1.00 50.00 H +ATOM 281 HD2 PHE A 18 1.556 -16.469 5.047 1.00 50.00 H +ATOM 282 HE1 PHE A 18 -0.369 -12.876 7.841 1.00 50.00 H +ATOM 283 HE2 PHE A 18 -0.664 -16.784 6.119 1.00 50.00 H +ATOM 284 HZ PHE A 18 -1.613 -14.991 7.564 1.00 50.00 H +ATOM 285 N ILE A 19 5.217 -16.619 6.084 1.00 50.00 N +ATOM 286 CA ILE A 19 5.550 -17.930 6.568 1.00 50.00 C +ATOM 287 C ILE A 19 6.470 -17.849 7.798 1.00 50.00 C +ATOM 288 O ILE A 19 6.231 -18.509 8.837 1.00 50.00 O +ATOM 289 CB ILE A 19 6.223 -18.757 5.471 1.00 50.00 C +ATOM 290 CG1 ILE A 19 5.187 -19.135 4.413 1.00 50.00 C +ATOM 291 CG2 ILE A 19 6.813 -20.032 6.054 1.00 50.00 C +ATOM 292 CD1 ILE A 19 5.765 -19.916 3.247 1.00 50.00 C +ATOM 293 H ILE A 19 5.487 -16.357 5.147 1.00 50.00 H +ATOM 294 HA ILE A 19 4.630 -18.433 6.865 1.00 50.00 H +ATOM 295 HB ILE A 19 7.022 -18.174 5.014 1.00 50.00 H +ATOM 296 1HG1 ILE A 19 4.401 -19.734 4.871 1.00 50.00 H +ATOM 297 2HG1 ILE A 19 4.721 -18.231 4.021 1.00 50.00 H +ATOM 298 1HG2 ILE A 19 7.287 -20.609 5.261 1.00 50.00 H +ATOM 299 2HG2 ILE A 19 7.554 -19.777 6.810 1.00 50.00 H +ATOM 300 3HG2 ILE A 19 6.020 -20.625 6.509 1.00 50.00 H +ATOM 301 1HD1 ILE A 19 4.972 -20.149 2.536 1.00 50.00 H +ATOM 302 2HD1 ILE A 19 6.531 -19.318 2.753 1.00 50.00 H +ATOM 303 3HD1 ILE A 19 6.207 -20.842 3.613 1.00 50.00 H +ATOM 304 N ALA A 20 7.513 -17.028 7.684 1.00 50.00 N +ATOM 305 CA ALA A 20 8.432 -16.810 8.774 1.00 50.00 C +ATOM 306 C ALA A 20 7.650 -16.318 10.018 1.00 50.00 C +ATOM 307 O ALA A 20 7.963 -16.711 11.162 1.00 50.00 O +ATOM 308 CB ALA A 20 9.467 -15.783 8.378 1.00 50.00 C +ATOM 309 H ALA A 20 7.663 -16.545 6.810 1.00 50.00 H +ATOM 310 HA ALA A 20 8.931 -17.755 8.990 1.00 50.00 H +ATOM 311 1HB ALA A 20 10.157 -15.624 9.206 1.00 50.00 H +ATOM 312 2HB ALA A 20 10.020 -16.140 7.509 1.00 50.00 H +ATOM 313 3HB ALA A 20 8.972 -14.844 8.133 1.00 50.00 H +ATOM 314 N MET A 21 6.677 -15.418 9.792 1.00 0.00 N +ATOM 315 CA MET A 21 5.888 -14.871 10.850 1.00 0.00 C +ATOM 316 C MET A 21 5.051 -15.976 11.499 1.00 0.00 C +ATOM 317 O MET A 21 4.850 -15.973 12.718 1.00 0.00 O +ATOM 318 CB MET A 21 5.012 -13.720 10.331 1.00 0.00 C +ATOM 319 CG MET A 21 5.780 -12.506 9.877 1.00 0.00 C +ATOM 320 SD MET A 21 4.777 -11.171 9.188 1.00 0.00 S +ATOM 321 CE MET A 21 4.078 -10.554 10.729 1.00 0.00 C +ATOM 322 H MET A 21 6.501 -15.121 8.843 1.00 0.00 H +ATOM 323 HA MET A 21 6.559 -14.480 11.615 1.00 0.00 H +ATOM 324 1HB MET A 21 4.414 -14.069 9.491 1.00 0.00 H +ATOM 325 2HB MET A 21 4.323 -13.405 11.115 1.00 0.00 H +ATOM 326 1HG MET A 21 6.332 -12.089 10.719 1.00 0.00 H +ATOM 327 2HG MET A 21 6.497 -12.795 9.109 1.00 0.00 H +ATOM 328 1HE MET A 21 3.418 -9.713 10.518 1.00 0.00 H +ATOM 329 2HE MET A 21 3.511 -11.349 11.215 1.00 0.00 H +ATOM 330 3HE MET A 21 4.883 -10.227 11.389 1.00 0.00 H +ATOM 331 N GLN A 22 4.566 -16.947 10.712 1.00 50.00 N +ATOM 332 CA GLN A 22 3.745 -18.051 11.317 1.00 50.00 C +ATOM 333 C GLN A 22 4.589 -19.021 12.166 1.00 50.00 C +ATOM 334 O GLN A 22 4.105 -19.588 13.112 1.00 50.00 O +ATOM 335 CB GLN A 22 2.940 -18.877 10.288 1.00 50.00 C +ATOM 336 CG GLN A 22 2.070 -18.090 9.297 1.00 50.00 C +ATOM 337 CD GLN A 22 1.348 -16.883 9.917 1.00 50.00 C +ATOM 338 OE1 GLN A 22 0.496 -17.060 10.781 1.00 50.00 O +ATOM 339 NE2 GLN A 22 1.706 -15.659 9.486 1.00 50.00 N +ATOM 340 H GLN A 22 4.741 -16.953 9.717 1.00 50.00 H +ATOM 341 HA GLN A 22 3.022 -17.609 12.002 1.00 50.00 H +ATOM 342 1HB GLN A 22 3.624 -19.480 9.691 1.00 50.00 H +ATOM 343 2HB GLN A 22 2.273 -19.561 10.812 1.00 50.00 H +ATOM 344 1HG GLN A 22 2.703 -17.714 8.493 1.00 50.00 H +ATOM 345 2HG GLN A 22 1.307 -18.755 8.892 1.00 50.00 H +ATOM 346 1HE2 GLN A 22 1.261 -14.845 9.863 1.00 50.00 H +ATOM 347 2HE2 GLN A 22 2.416 -15.562 8.789 1.00 50.00 H +ATOM 348 N ILE A 23 5.844 -19.236 11.781 1.00 50.00 N +ATOM 349 CA ILE A 23 6.734 -20.152 12.466 1.00 50.00 C +ATOM 350 C ILE A 23 7.280 -19.494 13.726 1.00 50.00 C +ATOM 351 O ILE A 23 7.221 -20.035 14.808 1.00 50.00 O +ATOM 352 CB ILE A 23 7.936 -20.510 11.549 1.00 50.00 C +ATOM 353 CG1 ILE A 23 7.459 -21.282 10.296 1.00 50.00 C +ATOM 354 CG2 ILE A 23 8.989 -21.314 12.303 1.00 50.00 C +ATOM 355 CD1 ILE A 23 8.508 -21.326 9.193 1.00 50.00 C +ATOM 356 H ILE A 23 6.182 -18.733 10.973 1.00 50.00 H +ATOM 357 HA ILE A 23 6.182 -21.063 12.696 1.00 50.00 H +ATOM 358 HB ILE A 23 8.398 -19.594 11.181 1.00 50.00 H +ATOM 359 1HG1 ILE A 23 7.200 -22.303 10.575 1.00 50.00 H +ATOM 360 2HG1 ILE A 23 6.557 -20.813 9.901 1.00 50.00 H +ATOM 361 1HG2 ILE A 23 9.816 -21.549 11.633 1.00 50.00 H +ATOM 362 2HG2 ILE A 23 9.359 -20.730 13.145 1.00 50.00 H +ATOM 363 3HG2 ILE A 23 8.546 -22.240 12.671 1.00 50.00 H +ATOM 364 1HD1 ILE A 23 8.116 -21.880 8.340 1.00 50.00 H +ATOM 365 2HD1 ILE A 23 8.754 -20.310 8.884 1.00 50.00 H +ATOM 366 3HD1 ILE A 23 9.405 -21.820 9.564 1.00 50.00 H +ATOM 367 N LEU A 24 7.841 -18.297 13.553 1.00 50.00 N +ATOM 368 CA LEU A 24 8.564 -17.574 14.594 1.00 50.00 C +ATOM 369 C LEU A 24 7.662 -16.656 15.472 1.00 50.00 C +ATOM 370 O LEU A 24 8.074 -16.223 16.572 1.00 50.00 O +ATOM 371 CB LEU A 24 9.608 -16.721 13.907 1.00 50.00 C +ATOM 372 CG LEU A 24 10.724 -17.425 13.129 1.00 50.00 C +ATOM 373 CD1 LEU A 24 11.690 -16.393 12.533 1.00 50.00 C +ATOM 374 CD2 LEU A 24 11.454 -18.422 14.041 1.00 50.00 C +ATOM 375 H LEU A 24 7.749 -17.880 12.638 1.00 50.00 H +ATOM 376 HA LEU A 24 9.044 -18.300 15.249 1.00 50.00 H +ATOM 377 1HB LEU A 24 9.108 -16.064 13.197 1.00 50.00 H +ATOM 378 2HB LEU A 24 10.101 -16.103 14.657 1.00 50.00 H +ATOM 379 HG LEU A 24 10.295 -17.962 12.283 1.00 50.00 H +ATOM 380 1HD1 LEU A 24 12.478 -16.907 11.983 1.00 50.00 H +ATOM 381 2HD1 LEU A 24 11.146 -15.734 11.856 1.00 50.00 H +ATOM 382 3HD1 LEU A 24 12.133 -15.804 13.335 1.00 50.00 H +ATOM 383 1HD2 LEU A 24 12.245 -18.918 13.478 1.00 50.00 H +ATOM 384 2HD2 LEU A 24 11.889 -17.890 14.887 1.00 50.00 H +ATOM 385 3HD2 LEU A 24 10.747 -19.167 14.406 1.00 50.00 H +ATOM 386 N GLY A 25 6.453 -16.346 14.964 1.00 0.00 N +ATOM 387 CA GLY A 25 5.563 -15.389 15.584 1.00 0.00 C +ATOM 388 C GLY A 25 5.842 -14.021 14.985 1.00 0.00 C +ATOM 389 O GLY A 25 6.942 -13.709 14.529 1.00 0.00 O +ATOM 390 H GLY A 25 6.164 -16.807 14.113 1.00 0.00 H +ATOM 391 1HA GLY A 25 4.529 -15.690 15.414 1.00 0.00 H +ATOM 392 2HA GLY A 25 5.724 -15.388 16.661 1.00 0.00 H +ATOM 393 N ASP A 26 4.802 -13.199 14.925 1.00 50.00 N +ATOM 394 CA ASP A 26 4.900 -11.838 14.384 1.00 50.00 C +ATOM 395 C ASP A 26 5.988 -10.956 15.012 1.00 50.00 C +ATOM 396 O ASP A 26 6.706 -10.244 14.315 1.00 50.00 O +ATOM 397 CB ASP A 26 3.570 -11.128 14.569 1.00 50.00 C +ATOM 398 CG ASP A 26 2.444 -11.727 13.705 1.00 50.00 C +ATOM 399 OD1 ASP A 26 2.686 -12.697 12.906 1.00 50.00 O +ATOM 400 OD2 ASP A 26 1.299 -11.239 13.885 1.00 50.00 O +ATOM 401 H ASP A 26 3.911 -13.530 15.267 1.00 50.00 H +ATOM 402 HA ASP A 26 5.127 -11.904 13.319 1.00 50.00 H +ATOM 403 1HB ASP A 26 3.271 -11.181 15.616 1.00 50.00 H +ATOM 404 2HB ASP A 26 3.682 -10.074 14.314 1.00 50.00 H +ATOM 405 N GLN A 27 6.111 -11.015 16.340 1.00 0.00 N +ATOM 406 CA GLN A 27 6.940 -10.036 17.039 1.00 0.00 C +ATOM 407 C GLN A 27 8.460 -10.315 16.844 1.00 0.00 C +ATOM 408 O GLN A 27 9.263 -9.389 16.819 1.00 0.00 O +ATOM 409 CB GLN A 27 6.501 -9.771 18.511 1.00 0.00 C +ATOM 410 CG GLN A 27 5.764 -10.839 19.335 1.00 0.00 C +ATOM 411 CD GLN A 27 4.541 -11.494 18.684 1.00 0.00 C +ATOM 412 OE1 GLN A 27 4.552 -12.679 18.439 1.00 0.00 O +ATOM 413 NE2 GLN A 27 3.492 -10.722 18.421 1.00 0.00 N +ATOM 414 H GLN A 27 5.638 -11.730 16.874 1.00 0.00 H +ATOM 415 HA GLN A 27 6.871 -9.085 16.511 1.00 0.00 H +ATOM 416 1HB GLN A 27 7.377 -9.531 19.114 1.00 0.00 H +ATOM 417 2HB GLN A 27 5.835 -8.909 18.542 1.00 0.00 H +ATOM 418 1HG GLN A 27 6.456 -11.651 19.560 1.00 0.00 H +ATOM 419 2HG GLN A 27 5.406 -10.387 20.260 1.00 0.00 H +ATOM 420 1HE2 GLN A 27 2.675 -11.115 17.996 1.00 0.00 H +ATOM 421 2HE2 GLN A 27 3.518 -9.748 18.647 1.00 0.00 H +ATOM 422 N GLU A 28 8.829 -11.590 16.666 1.00 0.00 N +ATOM 423 CA GLU A 28 10.211 -11.966 16.298 1.00 0.00 C +ATOM 424 C GLU A 28 10.566 -11.438 14.920 1.00 0.00 C +ATOM 425 O GLU A 28 11.670 -11.000 14.716 1.00 0.00 O +ATOM 426 CB GLU A 28 10.381 -13.475 16.305 1.00 0.00 C +ATOM 427 CG GLU A 28 11.766 -13.960 15.918 1.00 0.00 C +ATOM 428 CD GLU A 28 12.852 -13.433 16.818 1.00 0.00 C +ATOM 429 OE1 GLU A 28 12.616 -13.198 18.015 1.00 0.00 O +ATOM 430 OE2 GLU A 28 13.956 -13.257 16.321 1.00 0.00 O +ATOM 431 H GLU A 28 8.138 -12.316 16.788 1.00 0.00 H +ATOM 432 HA GLU A 28 10.893 -11.538 17.033 1.00 0.00 H +ATOM 433 1HB GLU A 28 10.161 -13.861 17.300 1.00 0.00 H +ATOM 434 2HB GLU A 28 9.668 -13.925 15.614 1.00 0.00 H +ATOM 435 1HG GLU A 28 11.781 -15.049 15.953 1.00 0.00 H +ATOM 436 2HG GLU A 28 11.973 -13.654 14.893 1.00 0.00 H +ATOM 437 N VAL A 29 9.616 -11.456 13.983 1.00 50.00 N +ATOM 438 CA VAL A 29 9.851 -10.923 12.656 1.00 50.00 C +ATOM 439 C VAL A 29 9.863 -9.386 12.651 1.00 50.00 C +ATOM 440 O VAL A 29 10.736 -8.785 12.020 1.00 50.00 O +ATOM 441 CB VAL A 29 8.935 -11.499 11.550 1.00 50.00 C +ATOM 442 CG1 VAL A 29 9.297 -10.911 10.170 1.00 50.00 C +ATOM 443 CG2 VAL A 29 9.087 -13.023 11.462 1.00 50.00 C +ATOM 444 H VAL A 29 8.712 -11.850 14.202 1.00 50.00 H +ATOM 445 HA VAL A 29 10.875 -11.161 12.364 1.00 50.00 H +ATOM 446 HB VAL A 29 7.899 -11.256 11.786 1.00 50.00 H +ATOM 447 1HG1 VAL A 29 8.638 -11.332 9.411 1.00 50.00 H +ATOM 448 2HG1 VAL A 29 9.177 -9.828 10.193 1.00 50.00 H +ATOM 449 3HG1 VAL A 29 10.331 -11.158 9.929 1.00 50.00 H +ATOM 450 1HG2 VAL A 29 8.435 -13.409 10.679 1.00 50.00 H +ATOM 451 2HG2 VAL A 29 10.122 -13.273 11.228 1.00 50.00 H +ATOM 452 3HG2 VAL A 29 8.813 -13.472 12.417 1.00 50.00 H +ATOM 453 N MET A 30 8.916 -8.745 13.335 1.00 50.00 N +ATOM 454 CA MET A 30 9.002 -7.285 13.602 1.00 50.00 C +ATOM 455 C MET A 30 10.415 -6.873 14.100 1.00 50.00 C +ATOM 456 O MET A 30 11.004 -5.866 13.613 1.00 50.00 O +ATOM 457 CB MET A 30 7.965 -6.847 14.636 1.00 50.00 C +ATOM 458 CG MET A 30 6.454 -7.042 14.259 1.00 50.00 C +ATOM 459 SD MET A 30 5.759 -5.475 13.767 1.00 50.00 S +ATOM 460 CE MET A 30 6.422 -5.527 12.153 1.00 50.00 C +ATOM 461 H MET A 30 8.120 -9.262 13.681 1.00 50.00 H +ATOM 462 HA MET A 30 8.804 -6.751 12.673 1.00 50.00 H +ATOM 463 1HB MET A 30 8.124 -7.394 15.564 1.00 50.00 H +ATOM 464 2HB MET A 30 8.094 -5.786 14.854 1.00 50.00 H +ATOM 465 1HG MET A 30 6.372 -7.761 13.444 1.00 50.00 H +ATOM 466 2HG MET A 30 5.913 -7.438 15.118 1.00 50.00 H +ATOM 467 1HE MET A 30 6.127 -4.629 11.609 1.00 50.00 H +ATOM 468 2HE MET A 30 7.510 -5.578 12.208 1.00 50.00 H +ATOM 469 3HE MET A 30 6.044 -6.407 11.632 1.00 50.00 H +ATOM 470 N LEU A 31 10.988 -7.652 15.031 1.00 0.00 N +ATOM 471 CA LEU A 31 12.340 -7.351 15.545 1.00 0.00 C +ATOM 472 C LEU A 31 13.358 -7.116 14.454 1.00 0.00 C +ATOM 473 O LEU A 31 14.235 -6.260 14.582 1.00 0.00 O +ATOM 474 CB LEU A 31 12.920 -8.461 16.378 1.00 0.00 C +ATOM 475 CG LEU A 31 12.516 -8.633 17.815 1.00 0.00 C +ATOM 476 CD1 LEU A 31 13.621 -9.475 18.428 1.00 0.00 C +ATOM 477 CD2 LEU A 31 12.359 -7.321 18.561 1.00 0.00 C +ATOM 478 H LEU A 31 10.493 -8.456 15.389 1.00 0.00 H +ATOM 479 HA LEU A 31 12.280 -6.468 16.180 1.00 0.00 H +ATOM 480 1HB LEU A 31 12.684 -9.412 15.903 1.00 0.00 H +ATOM 481 2HB LEU A 31 14.004 -8.349 16.401 1.00 0.00 H +ATOM 482 HG LEU A 31 11.559 -9.153 17.864 1.00 0.00 H +ATOM 483 1HD1 LEU A 31 13.404 -9.649 19.482 1.00 0.00 H +ATOM 484 2HD1 LEU A 31 13.681 -10.431 17.908 1.00 0.00 H +ATOM 485 3HD1 LEU A 31 14.571 -8.951 18.335 1.00 0.00 H +ATOM 486 1HD2 LEU A 31 12.065 -7.521 19.592 1.00 0.00 H +ATOM 487 2HD2 LEU A 31 13.306 -6.781 18.552 1.00 0.00 H +ATOM 488 3HD2 LEU A 31 11.592 -6.716 18.076 1.00 0.00 H +ATOM 489 N TRP A 32 13.259 -7.892 13.383 1.00 50.00 N +ATOM 490 CA TRP A 32 14.203 -7.792 12.276 1.00 50.00 C +ATOM 491 C TRP A 32 13.815 -6.765 11.247 1.00 50.00 C +ATOM 492 O TRP A 32 14.680 -6.084 10.714 1.00 50.00 O +ATOM 493 CB TRP A 32 14.434 -9.176 11.620 1.00 50.00 C +ATOM 494 CG TRP A 32 15.451 -9.974 12.412 1.00 50.00 C +ATOM 495 CD1 TRP A 32 15.274 -10.508 13.660 1.00 50.00 C +ATOM 496 CD2 TRP A 32 16.811 -10.252 12.049 1.00 50.00 C +ATOM 497 NE1 TRP A 32 16.426 -11.118 14.084 1.00 50.00 N +ATOM 498 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.00 C +ATOM 499 CE3 TRP A 32 17.596 -9.978 10.915 1.00 50.00 C +ATOM 500 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 50.00 C +ATOM 501 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 50.00 C +ATOM 502 CH2 TRP A 32 19.457 -11.179 11.966 1.00 50.00 C +ATOM 503 H TRP A 32 12.511 -8.569 13.332 1.00 50.00 H +ATOM 504 HA TRP A 32 15.155 -7.432 12.665 1.00 50.00 H +ATOM 505 1HB TRP A 32 13.490 -9.719 11.574 1.00 50.00 H +ATOM 506 2HB TRP A 32 14.784 -9.040 10.597 1.00 50.00 H +ATOM 507 HD1 TRP A 32 14.351 -10.456 14.234 1.00 50.00 H +ATOM 508 HE1 TRP A 32 16.551 -11.590 14.968 1.00 50.00 H +ATOM 509 HE3 TRP A 32 17.186 -9.415 10.077 1.00 50.00 H +ATOM 510 HZ2 TRP A 32 19.149 -12.018 13.909 1.00 50.00 H +ATOM 511 HZ3 TRP A 32 19.520 -10.232 10.001 1.00 50.00 H +ATOM 512 HH2 TRP A 32 20.487 -11.531 11.908 1.00 50.00 H +ATOM 513 N LEU A 33 12.513 -6.675 10.940 1.00 50.00 N +ATOM 514 CA LEU A 33 12.064 -5.938 9.748 1.00 50.00 C +ATOM 515 C LEU A 33 11.276 -4.671 10.013 1.00 50.00 C +ATOM 516 O LEU A 33 10.924 -3.983 9.080 1.00 50.00 O +ATOM 517 CB LEU A 33 11.233 -6.839 8.878 1.00 50.00 C +ATOM 518 CG LEU A 33 11.918 -8.085 8.317 1.00 50.00 C +ATOM 519 CD1 LEU A 33 10.910 -8.843 7.468 1.00 50.00 C +ATOM 520 CD2 LEU A 33 13.127 -7.730 7.481 1.00 50.00 C +ATOM 521 H LEU A 33 11.825 -7.118 11.533 1.00 50.00 H +ATOM 522 HA LEU A 33 12.942 -5.616 9.189 1.00 50.00 H +ATOM 523 1HB LEU A 33 10.373 -7.179 9.452 1.00 50.00 H +ATOM 524 2HB LEU A 33 10.871 -6.263 8.027 1.00 50.00 H +ATOM 525 HG LEU A 33 12.245 -8.722 9.139 1.00 50.00 H +ATOM 526 1HD1 LEU A 33 11.379 -9.737 7.058 1.00 50.00 H +ATOM 527 2HD1 LEU A 33 10.059 -9.131 8.085 1.00 50.00 H +ATOM 528 3HD1 LEU A 33 10.569 -8.206 6.653 1.00 50.00 H +ATOM 529 1HD2 LEU A 33 13.587 -8.642 7.101 1.00 50.00 H +ATOM 530 2HD2 LEU A 33 12.819 -7.103 6.644 1.00 50.00 H +ATOM 531 3HD2 LEU A 33 13.847 -7.189 8.095 1.00 50.00 H +ATOM 532 N ALA A 34 10.907 -4.411 11.268 1.00 50.00 N +ATOM 533 CA ALA A 34 10.056 -3.268 11.565 1.00 50.00 C +ATOM 534 C ALA A 34 10.862 -1.975 11.403 1.00 50.00 C +ATOM 535 O ALA A 34 12.082 -1.978 11.519 1.00 50.00 O +ATOM 536 CB ALA A 34 9.465 -3.347 12.957 1.00 50.00 C +ATOM 537 H ALA A 34 11.215 -5.005 12.025 1.00 50.00 H +ATOM 538 HA ALA A 34 9.235 -3.262 10.848 1.00 50.00 H +ATOM 539 1HB ALA A 34 8.837 -2.474 13.136 1.00 50.00 H +ATOM 540 2HB ALA A 34 8.863 -4.251 13.046 1.00 50.00 H +ATOM 541 3HB ALA A 34 10.268 -3.373 13.692 1.00 50.00 H +ATOM 542 N TRP A 35 10.155 -0.894 11.107 1.00 50.00 N +ATOM 543 CA TRP A 35 10.693 0.459 11.269 1.00 50.00 C +ATOM 544 C TRP A 35 11.472 0.587 12.576 1.00 50.00 C +ATOM 545 O TRP A 35 11.038 0.080 13.600 1.00 50.00 O +ATOM 546 CB TRP A 35 9.517 1.447 11.271 1.00 50.00 C +ATOM 547 CG TRP A 35 9.951 2.906 11.133 1.00 50.00 C +ATOM 548 CD1 TRP A 35 10.377 3.717 12.133 1.00 50.00 C +ATOM 549 CD2 TRP A 35 9.966 3.686 9.948 1.00 50.00 C +ATOM 550 NE1 TRP A 35 10.627 4.940 11.653 1.00 50.00 N +ATOM 551 CE2 TRP A 35 10.422 4.945 10.299 1.00 50.00 C +ATOM 552 CE3 TRP A 35 9.655 3.426 8.599 1.00 50.00 C +ATOM 553 CZ2 TRP A 35 10.565 5.987 9.363 1.00 50.00 C +ATOM 554 CZ3 TRP A 35 9.803 4.467 7.656 1.00 50.00 C +ATOM 555 CH2 TRP A 35 10.228 5.727 8.058 1.00 50.00 C +ATOM 556 H TRP A 35 9.214 -1.011 10.758 1.00 50.00 H +ATOM 557 HA TRP A 35 11.351 0.673 10.427 1.00 50.00 H +ATOM 558 1HB TRP A 35 8.841 1.210 10.449 1.00 50.00 H +ATOM 559 2HB TRP A 35 8.955 1.341 12.199 1.00 50.00 H +ATOM 560 HD1 TRP A 35 10.497 3.415 13.172 1.00 50.00 H +ATOM 561 HE1 TRP A 35 10.920 5.738 12.199 1.00 50.00 H +ATOM 562 HE3 TRP A 35 9.309 2.440 8.290 1.00 50.00 H +ATOM 563 HZ2 TRP A 35 10.931 6.974 9.646 1.00 50.00 H +ATOM 564 HZ3 TRP A 35 9.577 4.263 6.609 1.00 50.00 H +ATOM 565 HH2 TRP A 35 10.294 6.526 7.319 1.00 50.00 H +ATOM 566 N PRO A 36 12.628 1.291 12.620 1.00 50.00 N +ATOM 567 CA PRO A 36 13.446 1.307 13.833 1.00 50.00 C +ATOM 568 C PRO A 36 12.639 1.725 15.032 1.00 50.00 C +ATOM 569 O PRO A 36 12.040 2.788 15.039 1.00 50.00 O +ATOM 570 CB PRO A 36 14.520 2.316 13.518 1.00 50.00 C +ATOM 571 CG PRO A 36 14.580 2.343 12.032 1.00 50.00 C +ATOM 572 CD PRO A 36 13.221 2.063 11.521 1.00 50.00 C +ATOM 573 HA PRO A 36 13.882 0.309 13.989 1.00 50.00 H +ATOM 574 1HB PRO A 36 14.257 3.293 13.950 1.00 50.00 H +ATOM 575 2HB PRO A 36 15.472 2.008 13.976 1.00 50.00 H +ATOM 576 1HG PRO A 36 14.937 3.324 11.684 1.00 50.00 H +ATOM 577 2HG PRO A 36 15.299 1.595 11.667 1.00 50.00 H +ATOM 578 1HD PRO A 36 12.691 3.011 11.349 1.00 50.00 H +ATOM 579 2HD PRO A 36 13.291 1.483 10.589 1.00 50.00 H +ATOM 580 N PHE A 37 12.626 0.871 16.052 1.00 0.00 N +ATOM 581 CA PHE A 37 11.836 1.126 17.250 1.00 0.00 C +ATOM 582 C PHE A 37 12.759 1.473 18.386 1.00 0.00 C +ATOM 583 O PHE A 37 12.326 1.700 19.484 1.00 0.00 O +ATOM 584 CB PHE A 37 10.941 -0.084 17.593 1.00 0.00 C +ATOM 585 CG PHE A 37 11.636 -1.397 17.472 1.00 0.00 C +ATOM 586 CD1 PHE A 37 12.377 -1.895 18.524 1.00 0.00 C +ATOM 587 CD2 PHE A 37 11.578 -2.116 16.305 1.00 0.00 C +ATOM 588 CE1 PHE A 37 13.028 -3.099 18.418 1.00 0.00 C +ATOM 589 CE2 PHE A 37 12.272 -3.319 16.173 1.00 0.00 C +ATOM 590 CZ PHE A 37 12.975 -3.813 17.234 1.00 0.00 C +ATOM 591 H PHE A 37 13.176 0.026 15.996 1.00 0.00 H +ATOM 592 HA PHE A 37 11.193 1.987 17.064 1.00 0.00 H +ATOM 593 1HB PHE A 37 10.573 0.014 18.613 1.00 0.00 H +ATOM 594 2HB PHE A 37 10.075 -0.095 16.932 1.00 0.00 H +ATOM 595 HD1 PHE A 37 12.442 -1.321 19.449 1.00 0.00 H +ATOM 596 HD2 PHE A 37 11.015 -1.716 15.461 1.00 0.00 H +ATOM 597 HE1 PHE A 37 13.586 -3.492 19.267 1.00 0.00 H +ATOM 598 HE2 PHE A 37 12.256 -3.864 15.229 1.00 0.00 H +ATOM 599 HZ PHE A 37 13.494 -4.767 17.148 1.00 0.00 H +ATOM 600 N ASP A 38 14.050 1.555 18.090 1.00 0.00 N +ATOM 601 CA ASP A 38 15.075 1.966 19.047 1.00 0.00 C +ATOM 602 C ASP A 38 16.106 2.796 18.288 1.00 0.00 C +ATOM 603 O ASP A 38 16.407 2.470 17.139 1.00 0.00 O +ATOM 604 CB ASP A 38 15.753 0.725 19.607 1.00 0.00 C +ATOM 605 CG ASP A 38 16.511 1.013 20.870 1.00 0.00 C +ATOM 606 OD1 ASP A 38 15.878 1.536 21.804 1.00 0.00 O +ATOM 607 OD2 ASP A 38 17.729 0.749 20.929 1.00 0.00 O +ATOM 608 H ASP A 38 14.324 1.317 17.147 1.00 0.00 H +ATOM 609 HA ASP A 38 14.592 2.512 19.858 1.00 0.00 H +ATOM 610 1HB ASP A 38 15.003 -0.040 19.810 1.00 0.00 H +ATOM 611 2HB ASP A 38 16.441 0.320 18.864 1.00 0.00 H +ATOM 612 N PRO A 39 16.724 3.840 18.902 1.00 0.00 N +ATOM 613 CA PRO A 39 17.755 4.632 18.212 1.00 0.00 C +ATOM 614 C PRO A 39 18.913 3.812 17.685 1.00 0.00 C +ATOM 615 O PRO A 39 19.464 4.130 16.633 1.00 0.00 O +ATOM 616 CB PRO A 39 18.289 5.574 19.296 1.00 0.00 C +ATOM 617 CG PRO A 39 17.285 5.541 20.392 1.00 0.00 C +ATOM 618 CD PRO A 39 16.470 4.299 20.284 1.00 0.00 C +ATOM 619 HA PRO A 39 17.286 5.207 17.399 1.00 0.00 H +ATOM 620 1HB PRO A 39 19.280 5.236 19.634 1.00 0.00 H +ATOM 621 2HB PRO A 39 18.418 6.586 18.885 1.00 0.00 H +ATOM 622 1HG PRO A 39 17.788 5.578 21.369 1.00 0.00 H +ATOM 623 2HG PRO A 39 16.633 6.425 20.337 1.00 0.00 H +ATOM 624 1HD PRO A 39 16.820 3.564 21.024 1.00 0.00 H +ATOM 625 2HD PRO A 39 15.409 4.540 20.449 1.00 0.00 H +ATOM 626 N THR A 40 19.277 2.747 18.400 1.00 0.00 N +ATOM 627 CA THR A 40 20.337 1.894 17.952 1.00 0.00 C +ATOM 628 C THR A 40 20.045 1.181 16.610 1.00 0.00 C +ATOM 629 O THR A 40 20.951 0.584 16.037 1.00 0.00 O +ATOM 630 CB THR A 40 20.678 0.863 19.016 1.00 0.00 C +ATOM 631 OG1 THR A 40 19.525 0.076 19.264 1.00 0.00 O +ATOM 632 CG2 THR A 40 21.073 1.510 20.322 1.00 0.00 C +ATOM 633 H THR A 40 18.806 2.532 19.267 1.00 0.00 H +ATOM 634 HA THR A 40 21.219 2.507 17.766 1.00 0.00 H +ATOM 635 HB THR A 40 21.508 0.246 18.672 1.00 0.00 H +ATOM 636 HG1 THR A 40 18.805 0.378 18.705 1.00 0.00 H +ATOM 637 1HG2 THR A 40 21.309 0.738 21.054 1.00 0.00 H +ATOM 638 2HG2 THR A 40 21.948 2.141 20.165 1.00 0.00 H +ATOM 639 3HG2 THR A 40 20.248 2.119 20.690 1.00 0.00 H +ATOM 640 N LEU A 41 18.793 1.226 16.124 1.00 0.00 N +ATOM 641 CA LEU A 41 18.410 0.542 14.885 1.00 0.00 C +ATOM 642 C LEU A 41 18.334 1.506 13.702 1.00 0.00 C +ATOM 643 O LEU A 41 18.028 1.106 12.575 1.00 0.00 O +ATOM 644 CB LEU A 41 17.076 -0.220 15.056 1.00 0.00 C +ATOM 645 CG LEU A 41 16.985 -1.150 16.320 1.00 0.00 C +ATOM 646 CD1 LEU A 41 15.662 -1.884 16.460 1.00 0.00 C +ATOM 647 CD2 LEU A 41 18.115 -2.167 16.355 1.00 0.00 C +ATOM 648 H LEU A 41 18.095 1.750 16.633 1.00 0.00 H +ATOM 649 HA LEU A 41 19.186 -0.180 14.635 1.00 0.00 H +ATOM 650 1HB LEU A 41 16.267 0.506 15.118 1.00 0.00 H +ATOM 651 2HB LEU A 41 16.914 -0.840 14.174 1.00 0.00 H +ATOM 652 HG LEU A 41 17.043 -0.543 17.224 1.00 0.00 H +ATOM 653 1HD1 LEU A 41 15.682 -2.503 17.357 1.00 0.00 H +ATOM 654 2HD1 LEU A 41 14.851 -1.160 16.538 1.00 0.00 H +ATOM 655 3HD1 LEU A 41 15.503 -2.516 15.587 1.00 0.00 H +ATOM 656 1HD2 LEU A 41 18.017 -2.790 17.244 1.00 0.00 H +ATOM 657 2HD2 LEU A 41 18.067 -2.795 15.465 1.00 0.00 H +ATOM 658 3HD2 LEU A 41 19.072 -1.646 16.381 1.00 0.00 H +ATOM 659 N LYS A 42 18.624 2.785 13.974 1.00 50.00 N +ATOM 660 CA LYS A 42 18.436 3.848 13.020 1.00 50.00 C +ATOM 661 C LYS A 42 19.286 3.625 11.767 1.00 50.00 C +ATOM 662 O LYS A 42 18.872 4.015 10.666 1.00 50.00 O +ATOM 663 CB LYS A 42 18.725 5.194 13.687 1.00 50.00 C +ATOM 664 CG LYS A 42 20.195 5.447 14.037 1.00 50.00 C +ATOM 665 CD LYS A 42 20.368 6.570 15.079 1.00 50.00 C +ATOM 666 CE LYS A 42 21.608 6.371 15.947 1.00 50.00 C +ATOM 667 NZ LYS A 42 21.438 7.011 17.296 1.00 50.00 N +ATOM 668 H LYS A 42 18.990 3.005 14.890 1.00 50.00 H +ATOM 669 HA LYS A 42 17.398 3.832 12.685 1.00 50.00 H +ATOM 670 1HB LYS A 42 18.402 6.002 13.031 1.00 50.00 H +ATOM 671 2HB LYS A 42 18.151 5.273 14.611 1.00 50.00 H +ATOM 672 1HG LYS A 42 20.636 4.534 14.439 1.00 50.00 H +ATOM 673 2HG LYS A 42 20.740 5.727 13.136 1.00 50.00 H +ATOM 674 1HD LYS A 42 20.453 7.530 14.569 1.00 50.00 H +ATOM 675 2HD LYS A 42 19.494 6.601 15.729 1.00 50.00 H +ATOM 676 1HE LYS A 42 21.793 5.306 16.078 1.00 50.00 H +ATOM 677 2HE LYS A 42 22.474 6.810 15.451 1.00 50.00 H +ATOM 678 1HZ LYS A 42 22.272 6.864 17.847 1.00 50.00 H +ATOM 679 2HZ LYS A 42 21.281 8.003 17.182 1.00 50.00 H +ATOM 680 3HZ LYS A 42 20.647 6.598 17.768 1.00 50.00 H +ATOM 681 N PHE A 43 20.439 2.952 11.920 1.00 50.00 N +ATOM 682 CA PHE A 43 21.320 2.687 10.773 1.00 50.00 C +ATOM 683 C PHE A 43 20.990 1.453 9.900 1.00 50.00 C +ATOM 684 O PHE A 43 21.536 1.304 8.793 1.00 50.00 O +ATOM 685 CB PHE A 43 22.763 2.671 11.248 1.00 50.00 C +ATOM 686 CG PHE A 43 23.177 3.928 11.981 1.00 50.00 C +ATOM 687 CD1 PHE A 43 23.282 5.137 11.302 1.00 50.00 C +ATOM 688 CD2 PHE A 43 23.478 3.896 13.339 1.00 50.00 C +ATOM 689 CE1 PHE A 43 23.679 6.297 11.951 1.00 50.00 C +ATOM 690 CE2 PHE A 43 23.890 5.053 14.002 1.00 50.00 C +ATOM 691 CZ PHE A 43 23.978 6.261 13.308 1.00 50.00 C +ATOM 692 H PHE A 43 20.710 2.621 12.835 1.00 50.00 H +ATOM 693 HA PHE A 43 21.189 3.488 10.044 1.00 50.00 H +ATOM 694 1HB PHE A 43 22.917 1.822 11.913 1.00 50.00 H +ATOM 695 2HB PHE A 43 23.426 2.541 10.393 1.00 50.00 H +ATOM 696 HD1 PHE A 43 23.046 5.172 10.238 1.00 50.00 H +ATOM 697 HD2 PHE A 43 23.410 2.952 13.881 1.00 50.00 H +ATOM 698 HE1 PHE A 43 23.755 7.232 11.397 1.00 50.00 H +ATOM 699 HE2 PHE A 43 24.144 5.014 15.061 1.00 50.00 H +ATOM 700 HZ PHE A 43 24.280 7.171 13.825 1.00 50.00 H +ATOM 701 N GLU A 44 20.043 0.629 10.371 1.00 50.00 N +ATOM 702 CA GLU A 44 19.617 -0.593 9.693 1.00 50.00 C +ATOM 703 C GLU A 44 18.622 -0.203 8.593 1.00 50.00 C +ATOM 704 O GLU A 44 17.382 -0.282 8.770 1.00 50.00 O +ATOM 705 CB GLU A 44 19.066 -1.573 10.729 1.00 50.00 C +ATOM 706 CG GLU A 44 20.165 -2.043 11.669 1.00 50.00 C +ATOM 707 CD GLU A 44 19.742 -3.024 12.766 1.00 50.00 C +ATOM 708 OE1 GLU A 44 18.583 -3.480 12.858 1.00 50.00 O +ATOM 709 OE2 GLU A 44 20.606 -3.345 13.608 1.00 50.00 O +ATOM 710 H GLU A 44 19.609 0.883 11.247 1.00 50.00 H +ATOM 711 HA GLU A 44 20.484 -1.037 9.202 1.00 50.00 H +ATOM 712 1HB GLU A 44 18.274 -1.090 11.302 1.00 50.00 H +ATOM 713 2HB GLU A 44 18.626 -2.431 10.220 1.00 50.00 H +ATOM 714 1HG GLU A 44 20.944 -2.532 11.085 1.00 50.00 H +ATOM 715 2HG GLU A 44 20.606 -1.175 12.158 1.00 50.00 H +ATOM 716 N PHE A 45 19.206 0.157 7.436 1.00 50.00 N +ATOM 717 CA PHE A 45 18.570 0.869 6.312 1.00 50.00 C +ATOM 718 C PHE A 45 17.312 0.220 5.776 1.00 50.00 C +ATOM 719 O PHE A 45 16.362 0.906 5.386 1.00 50.00 O +ATOM 720 CB PHE A 45 19.582 1.149 5.139 1.00 50.00 C +ATOM 721 CG PHE A 45 20.205 -0.102 4.507 1.00 50.00 C +ATOM 722 CD1 PHE A 45 21.340 -0.697 5.058 1.00 50.00 C +ATOM 723 CD2 PHE A 45 19.669 -0.662 3.344 1.00 50.00 C +ATOM 724 CE1 PHE A 45 21.905 -1.826 4.480 1.00 50.00 C +ATOM 725 CE2 PHE A 45 20.233 -1.793 2.775 1.00 50.00 C +ATOM 726 CZ PHE A 45 21.352 -2.371 3.340 1.00 50.00 C +ATOM 727 H PHE A 45 20.179 -0.103 7.366 1.00 50.00 H +ATOM 728 HA PHE A 45 18.204 1.831 6.674 1.00 50.00 H +ATOM 729 1HB PHE A 45 19.077 1.700 4.347 1.00 50.00 H +ATOM 730 2HB PHE A 45 20.397 1.773 5.503 1.00 50.00 H +ATOM 731 HD1 PHE A 45 21.785 -0.266 5.955 1.00 50.00 H +ATOM 732 HD2 PHE A 45 18.785 -0.209 2.894 1.00 50.00 H +ATOM 733 HE1 PHE A 45 22.787 -2.283 4.928 1.00 50.00 H +ATOM 734 HE2 PHE A 45 19.791 -2.226 1.878 1.00 50.00 H +ATOM 735 HZ PHE A 45 21.798 -3.255 2.886 1.00 50.00 H +ATOM 736 N TRP A 46 17.327 -1.115 5.744 1.00 50.00 N +ATOM 737 CA TRP A 46 16.226 -1.916 5.213 1.00 50.00 C +ATOM 738 C TRP A 46 14.900 -1.642 5.951 1.00 50.00 C +ATOM 739 O TRP A 46 13.861 -1.682 5.350 1.00 50.00 O +ATOM 740 CB TRP A 46 16.585 -3.395 5.262 1.00 50.00 C +ATOM 741 CG TRP A 46 16.706 -3.977 6.632 1.00 50.00 C +ATOM 742 CD1 TRP A 46 15.700 -4.501 7.370 1.00 50.00 C +ATOM 743 CD2 TRP A 46 17.902 -4.165 7.399 1.00 50.00 C +ATOM 744 NE1 TRP A 46 16.181 -4.948 8.579 1.00 50.00 N +ATOM 745 CE2 TRP A 46 17.534 -4.764 8.610 1.00 50.00 C +ATOM 746 CE3 TRP A 46 19.264 -3.880 7.175 1.00 50.00 C +ATOM 747 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 50.00 C +ATOM 748 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 50.00 C +ATOM 749 CH2 TRP A 46 19.770 -4.778 9.377 1.00 50.00 C +ATOM 750 H TRP A 46 18.145 -1.583 6.108 1.00 50.00 H +ATOM 751 HA TRP A 46 16.058 -1.629 4.175 1.00 50.00 H +ATOM 752 1HB TRP A 46 15.828 -3.971 4.729 1.00 50.00 H +ATOM 753 2HB TRP A 46 17.536 -3.555 4.755 1.00 50.00 H +ATOM 754 HD1 TRP A 46 14.660 -4.560 7.053 1.00 50.00 H +ATOM 755 HE1 TRP A 46 15.625 -5.346 9.322 1.00 50.00 H +ATOM 756 HE3 TRP A 46 19.593 -3.441 6.234 1.00 50.00 H +ATOM 757 HZ2 TRP A 46 18.167 -5.567 10.542 1.00 50.00 H +ATOM 758 HZ3 TRP A 46 21.228 -3.921 8.015 1.00 50.00 H +ATOM 759 HH2 TRP A 46 20.517 -5.005 10.138 1.00 50.00 H +ATOM 760 N ARG A 47 14.965 -1.396 7.266 1.00 50.00 N +ATOM 761 CA ARG A 47 13.774 -1.164 8.099 1.00 50.00 C +ATOM 762 C ARG A 47 12.815 -0.086 7.561 1.00 50.00 C +ATOM 763 O ARG A 47 11.619 -0.118 7.850 1.00 50.00 O +ATOM 764 CB ARG A 47 14.194 -0.786 9.507 1.00 50.00 C +ATOM 765 CG ARG A 47 14.911 -1.928 10.172 1.00 50.00 C +ATOM 766 CD ARG A 47 15.319 -1.563 11.557 1.00 50.00 C +ATOM 767 NE ARG A 47 15.974 -2.658 12.242 1.00 50.00 N +ATOM 768 CZ ARG A 47 15.357 -3.634 12.920 1.00 50.00 C +ATOM 769 NH1 ARG A 47 14.035 -3.662 13.061 1.00 50.00 N +ATOM 770 NH2 ARG A 47 16.073 -4.568 13.527 1.00 50.00 N +ATOM 771 H ARG A 47 15.879 -1.371 7.696 1.00 50.00 H +ATOM 772 HA ARG A 47 13.194 -2.087 8.139 1.00 50.00 H +ATOM 773 1HB ARG A 47 14.844 0.087 9.470 1.00 50.00 H +ATOM 774 2HB ARG A 47 13.313 -0.514 10.089 1.00 50.00 H +ATOM 775 1HG ARG A 47 14.251 -2.795 10.218 1.00 50.00 H +ATOM 776 2HG ARG A 47 15.803 -2.181 9.598 1.00 50.00 H +ATOM 777 1HD ARG A 47 16.012 -0.723 11.523 1.00 50.00 H +ATOM 778 2HD ARG A 47 14.438 -1.283 12.134 1.00 50.00 H +ATOM 779 HE ARG A 47 16.984 -2.696 12.210 1.00 50.00 H +ATOM 780 1HH1 ARG A 47 13.468 -2.934 12.651 1.00 50.00 H +ATOM 781 2HH1 ARG A 47 13.598 -4.411 13.578 1.00 50.00 H +ATOM 782 1HH2 ARG A 47 17.082 -4.543 13.478 1.00 50.00 H +ATOM 783 2HH2 ARG A 47 15.611 -5.305 14.039 1.00 50.00 H +ATOM 784 N TYR A 48 13.341 0.875 6.789 1.00 50.00 N +ATOM 785 CA TYR A 48 12.532 2.001 6.346 1.00 50.00 C +ATOM 786 C TYR A 48 11.623 1.554 5.229 1.00 50.00 C +ATOM 787 O TYR A 48 10.666 2.255 4.873 1.00 50.00 O +ATOM 788 CB TYR A 48 13.444 3.213 5.947 1.00 50.00 C +ATOM 789 CG TYR A 48 14.271 3.731 7.112 1.00 50.00 C +ATOM 790 CD1 TYR A 48 13.672 4.447 8.140 1.00 50.00 C +ATOM 791 CD2 TYR A 48 15.643 3.532 7.192 1.00 50.00 C +ATOM 792 CE1 TYR A 48 14.388 4.928 9.213 1.00 50.00 C +ATOM 793 CE2 TYR A 48 16.368 4.015 8.271 1.00 50.00 C +ATOM 794 CZ TYR A 48 15.733 4.700 9.279 1.00 50.00 C +ATOM 795 OH TYR A 48 16.448 5.206 10.368 1.00 50.00 O +ATOM 796 H TYR A 48 14.310 0.824 6.507 1.00 50.00 H +ATOM 797 HA TYR A 48 11.886 2.308 7.169 1.00 50.00 H +ATOM 798 1HB TYR A 48 14.118 2.913 5.143 1.00 50.00 H +ATOM 799 2HB TYR A 48 12.824 4.025 5.568 1.00 50.00 H +ATOM 800 HD1 TYR A 48 12.600 4.645 8.114 1.00 50.00 H +ATOM 801 HD2 TYR A 48 16.162 2.992 6.401 1.00 50.00 H +ATOM 802 HE1 TYR A 48 13.881 5.486 10.000 1.00 50.00 H +ATOM 803 HE2 TYR A 48 17.445 3.852 8.321 1.00 50.00 H +ATOM 804 HH TYR A 48 17.378 4.992 10.266 1.00 50.00 H +ATOM 805 N PHE A 49 11.894 0.347 4.727 1.00 50.00 N +ATOM 806 CA PHE A 49 11.133 -0.307 3.652 1.00 50.00 C +ATOM 807 C PHE A 49 10.460 -1.645 4.032 1.00 50.00 C +ATOM 808 O PHE A 49 9.340 -1.921 3.611 1.00 50.00 O +ATOM 809 CB PHE A 49 12.058 -0.518 2.431 1.00 50.00 C +ATOM 810 CG PHE A 49 12.758 0.767 2.010 1.00 50.00 C +ATOM 811 CD1 PHE A 49 12.159 1.640 1.118 1.00 50.00 C +ATOM 812 CD2 PHE A 49 13.944 1.114 2.566 1.00 50.00 C +ATOM 813 CE1 PHE A 49 12.756 2.834 0.766 1.00 50.00 C +ATOM 814 CE2 PHE A 49 14.558 2.290 2.234 1.00 50.00 C +ATOM 815 CZ PHE A 49 13.976 3.144 1.321 1.00 50.00 C +ATOM 816 H PHE A 49 12.685 -0.133 5.132 1.00 50.00 H +ATOM 817 HA PHE A 49 10.305 0.344 3.368 1.00 50.00 H +ATOM 818 1HB PHE A 49 12.809 -1.270 2.670 1.00 50.00 H +ATOM 819 2HB PHE A 49 11.473 -0.895 1.593 1.00 50.00 H +ATOM 820 HD1 PHE A 49 11.193 1.379 0.684 1.00 50.00 H +ATOM 821 HD2 PHE A 49 14.408 0.442 3.288 1.00 50.00 H +ATOM 822 HE1 PHE A 49 12.260 3.504 0.064 1.00 50.00 H +ATOM 823 HE2 PHE A 49 15.511 2.551 2.693 1.00 50.00 H +ATOM 824 HZ PHE A 49 14.486 4.064 1.039 1.00 50.00 H +ATOM 825 N THR A 50 11.132 -2.451 4.844 1.00 50.00 N +ATOM 826 CA THR A 50 10.707 -3.814 5.030 1.00 50.00 C +ATOM 827 C THR A 50 9.473 -3.994 5.960 1.00 50.00 C +ATOM 828 O THR A 50 8.894 -5.070 5.978 1.00 50.00 O +ATOM 829 CB THR A 50 11.825 -4.680 5.558 1.00 50.00 C +ATOM 830 OG1 THR A 50 12.319 -4.098 6.755 1.00 50.00 O +ATOM 831 CG2 THR A 50 12.942 -4.879 4.475 1.00 50.00 C +ATOM 832 H THR A 50 11.947 -2.118 5.339 1.00 50.00 H +ATOM 833 HA THR A 50 10.397 -4.214 4.065 1.00 50.00 H +ATOM 834 HB THR A 50 11.428 -5.655 5.839 1.00 50.00 H +ATOM 835 HG1 THR A 50 11.828 -3.295 6.946 1.00 50.00 H +ATOM 836 1HG2 THR A 50 13.735 -5.507 4.881 1.00 50.00 H +ATOM 837 2HG2 THR A 50 12.514 -5.358 3.595 1.00 50.00 H +ATOM 838 3HG2 THR A 50 13.354 -3.910 4.196 1.00 50.00 H +ATOM 839 N HIS A 51 9.049 -2.926 6.660 1.00 0.00 N +ATOM 840 CA HIS A 51 7.741 -2.870 7.304 1.00 0.00 C +ATOM 841 C HIS A 51 6.588 -3.247 6.294 1.00 0.00 C +ATOM 842 O HIS A 51 5.570 -3.902 6.655 1.00 0.00 O +ATOM 843 CB HIS A 51 7.503 -1.499 7.945 1.00 0.00 C +ATOM 844 CG HIS A 51 7.516 -0.368 6.955 1.00 0.00 C +ATOM 845 ND1 HIS A 51 6.423 -0.057 6.173 1.00 0.00 N +ATOM 846 CD2 HIS A 51 8.525 0.452 6.555 1.00 0.00 C +ATOM 847 CE1 HIS A 51 6.749 0.938 5.360 1.00 0.00 C +ATOM 848 NE2 HIS A 51 8.019 1.271 5.576 1.00 0.00 N +ATOM 849 H HIS A 51 9.670 -2.133 6.738 1.00 0.00 H +ATOM 850 HA HIS A 51 7.691 -3.621 8.092 1.00 0.00 H +ATOM 851 1HB HIS A 51 6.540 -1.498 8.456 1.00 0.00 H +ATOM 852 2HB HIS A 51 8.271 -1.310 8.694 1.00 0.00 H +ATOM 853 HD2 HIS A 51 9.539 0.473 6.956 1.00 0.00 H +ATOM 854 HE1 HIS A 51 6.088 1.409 4.633 1.00 0.00 H +ATOM 855 HE2 HIS A 51 8.527 2.003 5.101 1.00 0.00 H +ATOM 856 N ALA A 52 6.782 -2.919 5.019 1.00 50.00 N +ATOM 857 CA ALA A 52 5.792 -3.223 3.989 1.00 50.00 C +ATOM 858 C ALA A 52 5.590 -4.711 3.614 1.00 50.00 C +ATOM 859 O ALA A 52 4.542 -5.062 3.039 1.00 50.00 O +ATOM 860 CB ALA A 52 6.049 -2.408 2.733 1.00 50.00 C +ATOM 861 H ALA A 52 7.636 -2.448 4.757 1.00 50.00 H +ATOM 862 HA ALA A 52 4.808 -2.963 4.378 1.00 50.00 H +ATOM 863 1HB ALA A 52 5.299 -2.652 1.981 1.00 50.00 H +ATOM 864 2HB ALA A 52 5.992 -1.346 2.971 1.00 50.00 H +ATOM 865 3HB ALA A 52 7.040 -2.640 2.345 1.00 50.00 H +ATOM 866 N LEU A 53 6.530 -5.556 4.027 1.00 50.00 N +ATOM 867 CA LEU A 53 6.584 -7.005 3.691 1.00 50.00 C +ATOM 868 C LEU A 53 5.915 -7.918 4.709 1.00 50.00 C +ATOM 869 O LEU A 53 5.792 -9.102 4.463 1.00 50.00 O +ATOM 870 CB LEU A 53 8.029 -7.469 3.544 1.00 50.00 C +ATOM 871 CG LEU A 53 8.815 -6.756 2.425 1.00 50.00 C +ATOM 872 CD1 LEU A 53 10.206 -7.346 2.332 1.00 50.00 C +ATOM 873 CD2 LEU A 53 8.135 -6.871 1.057 1.00 50.00 C +ATOM 874 H LEU A 53 7.251 -5.159 4.612 1.00 50.00 H +ATOM 875 HA LEU A 53 6.072 -7.159 2.742 1.00 50.00 H +ATOM 876 1HB LEU A 53 8.545 -7.301 4.488 1.00 50.00 H +ATOM 877 2HB LEU A 53 8.031 -8.539 3.338 1.00 50.00 H +ATOM 878 HG LEU A 53 8.907 -5.696 2.663 1.00 50.00 H +ATOM 879 1HD1 LEU A 53 10.763 -6.843 1.541 1.00 50.00 H +ATOM 880 2HD1 LEU A 53 10.723 -7.210 3.282 1.00 50.00 H +ATOM 881 3HD1 LEU A 53 10.136 -8.409 2.105 1.00 50.00 H +ATOM 882 1HD2 LEU A 53 8.733 -6.350 0.308 1.00 50.00 H +ATOM 883 2HD2 LEU A 53 8.045 -7.922 0.782 1.00 50.00 H +ATOM 884 3HD2 LEU A 53 7.142 -6.423 1.105 1.00 50.00 H +ATOM 885 N MET A 54 5.497 -7.349 5.856 1.00 50.00 N +ATOM 886 CA MET A 54 4.914 -8.106 6.965 1.00 50.00 C +ATOM 887 C MET A 54 3.382 -7.947 6.949 1.00 50.00 C +ATOM 888 O MET A 54 2.854 -6.847 6.781 1.00 50.00 O +ATOM 889 CB MET A 54 5.437 -7.525 8.261 1.00 50.00 C +ATOM 890 CG MET A 54 6.839 -7.943 8.554 1.00 50.00 C +ATOM 891 SD MET A 54 7.443 -7.391 10.149 1.00 50.00 S +ATOM 892 CE MET A 54 7.634 -5.644 9.710 1.00 50.00 C +ATOM 893 H MET A 54 5.597 -6.348 5.943 1.00 50.00 H +ATOM 894 HA MET A 54 5.226 -9.146 6.876 1.00 50.00 H +ATOM 895 1HB MET A 54 5.398 -6.438 8.214 1.00 50.00 H +ATOM 896 2HB MET A 54 4.797 -7.840 9.086 1.00 50.00 H +ATOM 897 1HG MET A 54 6.907 -9.030 8.530 1.00 50.00 H +ATOM 898 2HG MET A 54 7.505 -7.543 7.790 1.00 50.00 H +ATOM 899 1HE MET A 54 8.008 -5.091 10.572 1.00 50.00 H +ATOM 900 2HE MET A 54 8.340 -5.551 8.884 1.00 50.00 H +ATOM 901 3HE MET A 54 6.668 -5.237 9.409 1.00 50.00 H +ATOM 902 N HIS A 55 2.668 -9.064 7.109 1.00 0.00 N +ATOM 903 CA HIS A 55 1.256 -9.041 7.309 1.00 0.00 C +ATOM 904 C HIS A 55 0.834 -9.788 8.561 1.00 0.00 C +ATOM 905 O HIS A 55 1.401 -10.777 8.903 1.00 0.00 O +ATOM 906 CB HIS A 55 0.538 -9.571 6.076 1.00 0.00 C +ATOM 907 CG HIS A 55 0.787 -8.754 4.864 1.00 0.00 C +ATOM 908 ND1 HIS A 55 1.855 -8.986 4.013 1.00 0.00 N +ATOM 909 CD2 HIS A 55 0.141 -7.670 4.377 1.00 0.00 C +ATOM 910 CE1 HIS A 55 1.833 -8.099 3.042 1.00 0.00 C +ATOM 911 NE2 HIS A 55 0.812 -7.281 3.240 1.00 0.00 N +ATOM 912 H HIS A 55 3.147 -9.953 7.087 1.00 0.00 H +ATOM 913 HA HIS A 55 0.929 -8.015 7.479 1.00 0.00 H +ATOM 914 1HB HIS A 55 0.861 -10.594 5.878 1.00 0.00 H +ATOM 915 2HB HIS A 55 -0.535 -9.597 6.263 1.00 0.00 H +ATOM 916 HD2 HIS A 55 -0.743 -7.194 4.801 1.00 0.00 H +ATOM 917 HE1 HIS A 55 2.537 -8.045 2.212 1.00 0.00 H +ATOM 918 HE2 HIS A 55 0.561 -6.497 2.655 1.00 0.00 H +ATOM 919 N PHE A 56 -0.224 -9.297 9.210 1.00 50.00 N +ATOM 920 CA PHE A 56 -0.708 -9.848 10.483 1.00 50.00 C +ATOM 921 C PHE A 56 -1.894 -10.724 10.375 1.00 50.00 C +ATOM 922 O PHE A 56 -2.246 -11.366 11.323 1.00 50.00 O +ATOM 923 CB PHE A 56 -0.999 -8.701 11.447 1.00 50.00 C +ATOM 924 CG PHE A 56 0.164 -7.779 11.599 1.00 50.00 C +ATOM 925 CD1 PHE A 56 1.377 -8.268 12.126 1.00 50.00 C +ATOM 926 CD2 PHE A 56 0.083 -6.449 11.227 1.00 50.00 C +ATOM 927 CE1 PHE A 56 2.493 -7.438 12.246 1.00 50.00 C +ATOM 928 CE2 PHE A 56 1.195 -5.602 11.370 1.00 50.00 C +ATOM 929 CZ PHE A 56 2.408 -6.109 11.847 1.00 50.00 C +ATOM 930 H PHE A 56 -0.707 -8.511 8.799 1.00 50.00 H +ATOM 931 HA PHE A 56 0.072 -10.483 10.904 1.00 50.00 H +ATOM 932 1HB PHE A 56 -1.856 -8.133 11.088 1.00 50.00 H +ATOM 933 2HB PHE A 56 -1.260 -9.105 12.424 1.00 50.00 H +ATOM 934 HD1 PHE A 56 1.439 -9.310 12.442 1.00 50.00 H +ATOM 935 HD2 PHE A 56 -0.862 -6.050 10.855 1.00 50.00 H +ATOM 936 HE1 PHE A 56 3.424 -7.833 12.651 1.00 50.00 H +ATOM 937 HE2 PHE A 56 1.111 -4.547 11.109 1.00 50.00 H +ATOM 938 HZ PHE A 56 3.283 -5.464 11.907 1.00 50.00 H +ATOM 939 N SER A 57 -2.507 -10.765 9.200 1.00 50.00 N +ATOM 940 CA SER A 57 -3.646 -11.583 8.952 1.00 50.00 C +ATOM 941 C SER A 57 -3.659 -12.067 7.484 1.00 50.00 C +ATOM 942 O SER A 57 -3.205 -11.383 6.572 1.00 50.00 O +ATOM 943 CB SER A 57 -4.947 -10.821 9.283 1.00 50.00 C +ATOM 944 OG SER A 57 -5.330 -9.985 8.200 1.00 50.00 O +ATOM 945 H SER A 57 -2.144 -10.188 8.455 1.00 50.00 H +ATOM 946 HA SER A 57 -3.586 -12.463 9.594 1.00 50.00 H +ATOM 947 1HB SER A 57 -5.742 -11.535 9.497 1.00 50.00 H +ATOM 948 2HB SER A 57 -4.798 -10.219 10.178 1.00 50.00 H +ATOM 949 HG SER A 57 -4.664 -10.111 7.520 1.00 50.00 H +ATOM 950 N LEU A 58 -4.218 -13.266 7.314 1.00 50.00 N +ATOM 951 CA LEU A 58 -4.436 -13.941 6.075 1.00 50.00 C +ATOM 952 C LEU A 58 -5.301 -13.124 5.124 1.00 50.00 C +ATOM 953 O LEU A 58 -5.033 -13.006 3.920 1.00 50.00 O +ATOM 954 CB LEU A 58 -5.152 -15.256 6.423 1.00 50.00 C +ATOM 955 CG LEU A 58 -5.598 -16.085 5.253 1.00 50.00 C +ATOM 956 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 50.00 C +ATOM 957 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 50.00 C +ATOM 958 H LEU A 58 -4.504 -13.712 8.174 1.00 50.00 H +ATOM 959 HA LEU A 58 -3.469 -14.140 5.615 1.00 50.00 H +ATOM 960 1HB LEU A 58 -4.482 -15.867 7.025 1.00 50.00 H +ATOM 961 2HB LEU A 58 -6.034 -15.024 7.020 1.00 50.00 H +ATOM 962 HG LEU A 58 -6.362 -15.544 4.694 1.00 50.00 H +ATOM 963 1HD1 LEU A 58 -4.660 -16.885 3.492 1.00 50.00 H +ATOM 964 2HD1 LEU A 58 -4.011 -15.315 4.023 1.00 50.00 H +ATOM 965 3HD1 LEU A 58 -3.598 -16.798 4.917 1.00 50.00 H +ATOM 966 1HD2 LEU A 58 -6.502 -18.013 4.903 1.00 50.00 H +ATOM 967 2HD2 LEU A 58 -5.415 -17.956 6.311 1.00 50.00 H +ATOM 968 3HD2 LEU A 58 -7.030 -17.216 6.404 1.00 50.00 H +ATOM 969 N MET A 59 -6.369 -12.552 5.676 1.00 50.00 N +ATOM 970 CA MET A 59 -7.305 -11.765 4.882 1.00 50.00 C +ATOM 971 C MET A 59 -6.557 -10.573 4.229 1.00 50.00 C +ATOM 972 O MET A 59 -6.688 -10.366 3.023 1.00 50.00 O +ATOM 973 CB MET A 59 -8.519 -11.436 5.762 1.00 50.00 C +ATOM 974 CG MET A 59 -9.215 -10.126 5.500 1.00 50.00 C +ATOM 975 SD MET A 59 -11.002 -10.362 5.579 1.00 50.00 S +ATOM 976 CE MET A 59 -11.423 -8.660 5.222 1.00 50.00 C +ATOM 977 H MET A 59 -6.537 -12.664 6.666 1.00 50.00 H +ATOM 978 HA MET A 59 -7.621 -12.362 4.027 1.00 50.00 H +ATOM 979 1HB MET A 59 -9.272 -12.215 5.649 1.00 50.00 H +ATOM 980 2HB MET A 59 -8.216 -11.423 6.810 1.00 50.00 H +ATOM 981 1HG MET A 59 -8.903 -9.393 6.243 1.00 50.00 H +ATOM 982 2HG MET A 59 -8.932 -9.754 4.515 1.00 50.00 H +ATOM 983 1HE MET A 59 -12.507 -8.547 5.215 1.00 50.00 H +ATOM 984 2HE MET A 59 -10.994 -8.011 5.987 1.00 50.00 H +ATOM 985 3HE MET A 59 -11.023 -8.383 4.246 1.00 50.00 H +ATOM 986 N HIS A 60 -5.693 -9.893 5.001 1.00 50.00 N +ATOM 987 CA HIS A 60 -4.972 -8.718 4.531 1.00 50.00 C +ATOM 988 C HIS A 60 -3.841 -9.015 3.534 1.00 50.00 C +ATOM 989 O HIS A 60 -3.699 -8.288 2.535 1.00 50.00 O +ATOM 990 CB HIS A 60 -4.506 -7.899 5.717 1.00 50.00 C +ATOM 991 CG HIS A 60 -5.632 -7.186 6.398 1.00 50.00 C +ATOM 992 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 50.00 N +ATOM 993 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.00 C +ATOM 994 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 50.00 C +ATOM 995 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 50.00 N +ATOM 996 H HIS A 60 -5.543 -10.217 5.946 1.00 50.00 H +ATOM 997 HA HIS A 60 -5.636 -8.103 3.924 1.00 50.00 H +ATOM 998 1HB HIS A 60 -4.013 -8.551 6.439 1.00 50.00 H +ATOM 999 2HB HIS A 60 -3.772 -7.164 5.386 1.00 50.00 H +ATOM 1000 HD2 HIS A 60 -7.460 -7.802 5.382 1.00 50.00 H +ATOM 1001 HE1 HIS A 60 -6.807 -5.114 8.615 1.00 50.00 H +ATOM 1002 HE2 HIS A 60 -8.559 -6.194 7.112 1.00 50.00 H +ATOM 1003 N ILE A 61 -3.088 -10.101 3.754 1.00 50.00 N +ATOM 1004 CA ILE A 61 -2.111 -10.497 2.775 1.00 50.00 C +ATOM 1005 C ILE A 61 -2.778 -10.808 1.444 1.00 50.00 C +ATOM 1006 O ILE A 61 -2.316 -10.386 0.394 1.00 50.00 O +ATOM 1007 CB ILE A 61 -1.108 -11.538 3.265 1.00 50.00 C +ATOM 1008 CG1 ILE A 61 0.064 -11.626 2.259 1.00 50.00 C +ATOM 1009 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 50.00 C +ATOM 1010 CD1 ILE A 61 1.179 -12.565 2.674 1.00 50.00 C +ATOM 1011 H ILE A 61 -3.192 -10.650 4.595 1.00 50.00 H +ATOM 1012 HA ILE A 61 -1.534 -9.619 2.488 1.00 50.00 H +ATOM 1013 HB ILE A 61 -0.679 -11.212 4.212 1.00 50.00 H +ATOM 1014 1HG1 ILE A 61 -0.311 -11.958 1.292 1.00 50.00 H +ATOM 1015 2HG1 ILE A 61 0.497 -10.636 2.118 1.00 50.00 H +ATOM 1016 1HG2 ILE A 61 -0.977 -13.589 3.830 1.00 50.00 H +ATOM 1017 2HG2 ILE A 61 -2.523 -12.805 4.230 1.00 50.00 H +ATOM 1018 3HG2 ILE A 61 -2.160 -13.247 2.546 1.00 50.00 H +ATOM 1019 1HD1 ILE A 61 1.958 -12.564 1.911 1.00 50.00 H +ATOM 1020 2HD1 ILE A 61 1.600 -12.233 3.623 1.00 50.00 H +ATOM 1021 3HD1 ILE A 61 0.783 -13.573 2.786 1.00 50.00 H +ATOM 1022 N LEU A 62 -3.911 -11.487 1.485 1.00 50.00 N +ATOM 1023 CA LEU A 62 -4.603 -11.906 0.267 1.00 50.00 C +ATOM 1024 C LEU A 62 -5.144 -10.728 -0.497 1.00 50.00 C +ATOM 1025 O LEU A 62 -4.907 -10.608 -1.679 1.00 50.00 O +ATOM 1026 CB LEU A 62 -5.698 -12.922 0.562 1.00 50.00 C +ATOM 1027 CG LEU A 62 -5.184 -14.344 0.883 1.00 50.00 C +ATOM 1028 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 50.00 C +ATOM 1029 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 50.00 C +ATOM 1030 H LEU A 62 -4.309 -11.723 2.383 1.00 50.00 H +ATOM 1031 HA LEU A 62 -3.879 -12.374 -0.398 1.00 50.00 H +ATOM 1032 1HB LEU A 62 -6.280 -12.569 1.412 1.00 50.00 H +ATOM 1033 2HB LEU A 62 -6.358 -12.983 -0.303 1.00 50.00 H +ATOM 1034 HG LEU A 62 -4.359 -14.281 1.593 1.00 50.00 H +ATOM 1035 1HD1 LEU A 62 -5.873 -16.186 1.775 1.00 50.00 H +ATOM 1036 2HD1 LEU A 62 -6.570 -14.716 2.496 1.00 50.00 H +ATOM 1037 3HD1 LEU A 62 -7.130 -15.278 0.903 1.00 50.00 H +ATOM 1038 1HD2 LEU A 62 -4.334 -16.044 -0.119 1.00 50.00 H +ATOM 1039 2HD2 LEU A 62 -5.507 -15.126 -1.092 1.00 50.00 H +ATOM 1040 3HD2 LEU A 62 -3.875 -14.472 -0.816 1.00 50.00 H +ATOM 1041 N PHE A 63 -5.841 -9.823 0.185 1.00 50.00 N +ATOM 1042 CA PHE A 63 -6.357 -8.625 -0.498 1.00 50.00 C +ATOM 1043 C PHE A 63 -5.230 -7.714 -0.990 1.00 50.00 C +ATOM 1044 O PHE A 63 -5.304 -7.255 -2.120 1.00 50.00 O +ATOM 1045 CB PHE A 63 -7.397 -7.870 0.338 1.00 50.00 C +ATOM 1046 CG PHE A 63 -8.746 -8.516 0.254 1.00 50.00 C +ATOM 1047 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 50.00 C +ATOM 1048 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 50.00 C +ATOM 1049 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 50.00 C +ATOM 1050 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 50.00 C +ATOM 1051 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 50.00 C +ATOM 1052 H PHE A 63 -6.024 -9.944 1.171 1.00 50.00 H +ATOM 1053 HA PHE A 63 -6.842 -8.937 -1.424 1.00 50.00 H +ATOM 1054 1HB PHE A 63 -7.075 -7.840 1.378 1.00 50.00 H +ATOM 1055 2HB PHE A 63 -7.467 -6.841 -0.012 1.00 50.00 H +ATOM 1056 HD1 PHE A 63 -9.064 -7.894 -1.787 1.00 50.00 H +ATOM 1057 HD2 PHE A 63 -8.701 -9.365 2.227 1.00 50.00 H +ATOM 1058 HE1 PHE A 63 -11.236 -9.032 -2.026 1.00 50.00 H +ATOM 1059 HE2 PHE A 63 -10.876 -10.516 1.968 1.00 50.00 H +ATOM 1060 HZ PHE A 63 -12.135 -10.363 -0.142 1.00 50.00 H +ATOM 1061 N ASN A 64 -4.225 -7.449 -0.141 1.00 50.00 N +ATOM 1062 CA ASN A 64 -3.080 -6.580 -0.475 1.00 50.00 C +ATOM 1063 C ASN A 64 -2.411 -7.174 -1.748 1.00 50.00 C +ATOM 1064 O ASN A 64 -2.131 -6.479 -2.711 1.00 50.00 O +ATOM 1065 CB ASN A 64 -2.055 -6.409 0.697 1.00 50.00 C +ATOM 1066 CG ASN A 64 -2.584 -5.575 1.875 1.00 50.00 C +ATOM 1067 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 50.00 O +ATOM 1068 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 50.00 N +ATOM 1069 H ASN A 64 -4.269 -7.875 0.774 1.00 50.00 H +ATOM 1070 HA ASN A 64 -3.459 -5.586 -0.716 1.00 50.00 H +ATOM 1071 1HB ASN A 64 -1.771 -7.391 1.078 1.00 50.00 H +ATOM 1072 2HB ASN A 64 -1.151 -5.929 0.322 1.00 50.00 H +ATOM 1073 1HD2 ASN A 64 -4.168 -4.413 2.275 1.00 50.00 H +ATOM 1074 2HD2 ASN A 64 -4.133 -5.111 0.691 1.00 50.00 H +ATOM 1075 N LEU A 65 -2.199 -8.486 -1.777 1.00 50.00 N +ATOM 1076 CA LEU A 65 -1.493 -9.070 -2.897 1.00 50.00 C +ATOM 1077 C LEU A 65 -2.321 -9.122 -4.143 1.00 50.00 C +ATOM 1078 O LEU A 65 -1.753 -9.100 -5.238 1.00 50.00 O +ATOM 1079 CB LEU A 65 -0.838 -10.390 -2.558 1.00 50.00 C +ATOM 1080 CG LEU A 65 0.387 -10.370 -1.652 1.00 50.00 C +ATOM 1081 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 50.00 C +ATOM 1082 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 50.00 C +ATOM 1083 H LEU A 65 -2.521 -9.086 -1.031 1.00 50.00 H +ATOM 1084 HA LEU A 65 -0.705 -8.384 -3.204 1.00 50.00 H +ATOM 1085 1HB LEU A 65 -1.573 -11.027 -2.069 1.00 50.00 H +ATOM 1086 2HB LEU A 65 -0.529 -10.873 -3.485 1.00 50.00 H +ATOM 1087 HG LEU A 65 0.093 -10.060 -0.649 1.00 50.00 H +ATOM 1088 1HD1 LEU A 65 1.904 -11.660 -0.876 1.00 50.00 H +ATOM 1089 2HD1 LEU A 65 0.321 -12.437 -1.114 1.00 50.00 H +ATOM 1090 3HD1 LEU A 65 1.352 -12.068 -2.517 1.00 50.00 H +ATOM 1091 1HD2 LEU A 65 2.309 -9.499 -1.371 1.00 50.00 H +ATOM 1092 2HD2 LEU A 65 1.837 -9.726 -3.072 1.00 50.00 H +ATOM 1093 3HD2 LEU A 65 1.104 -8.419 -2.112 1.00 50.00 H +ATOM 1094 N LEU A 66 -3.648 -9.213 -3.991 1.00 50.00 N +ATOM 1095 CA LEU A 66 -4.563 -9.251 -5.117 1.00 50.00 C +ATOM 1096 C LEU A 66 -4.473 -7.920 -5.865 1.00 50.00 C +ATOM 1097 O LEU A 66 -4.302 -7.881 -7.097 1.00 50.00 O +ATOM 1098 CB LEU A 66 -6.010 -9.475 -4.619 1.00 50.00 C +ATOM 1099 CG LEU A 66 -7.058 -9.497 -5.758 1.00 50.00 C +ATOM 1100 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 50.00 C +ATOM 1101 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 50.00 C +ATOM 1102 H LEU A 66 -4.020 -9.257 -3.053 1.00 50.00 H +ATOM 1103 HA LEU A 66 -4.281 -10.081 -5.763 1.00 50.00 H +ATOM 1104 1HB LEU A 66 -6.051 -10.423 -4.085 1.00 50.00 H +ATOM 1105 2HB LEU A 66 -6.265 -8.677 -3.921 1.00 50.00 H +ATOM 1106 HG LEU A 66 -6.881 -8.658 -6.432 1.00 50.00 H +ATOM 1107 1HD1 LEU A 66 -7.619 -10.692 -7.467 1.00 50.00 H +ATOM 1108 2HD1 LEU A 66 -5.873 -10.673 -7.127 1.00 50.00 H +ATOM 1109 3HD1 LEU A 66 -6.970 -11.627 -6.099 1.00 50.00 H +ATOM 1110 1HD2 LEU A 66 -9.198 -9.405 -6.073 1.00 50.00 H +ATOM 1111 2HD2 LEU A 66 -8.714 -10.224 -4.568 1.00 50.00 H +ATOM 1112 3HD2 LEU A 66 -8.621 -8.450 -4.686 1.00 50.00 H +ATOM 1113 N TRP A 67 -4.608 -6.837 -5.103 1.00 50.00 N +ATOM 1114 CA TRP A 67 -4.509 -5.468 -5.590 1.00 50.00 C +ATOM 1115 C TRP A 67 -3.137 -5.134 -6.157 1.00 50.00 C +ATOM 1116 O TRP A 67 -3.056 -4.532 -7.203 1.00 50.00 O +ATOM 1117 CB TRP A 67 -4.807 -4.477 -4.453 1.00 50.00 C +ATOM 1118 CG TRP A 67 -6.264 -4.259 -4.169 1.00 50.00 C +ATOM 1119 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 50.00 C +ATOM 1120 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 50.00 C +ATOM 1121 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 50.00 N +ATOM 1122 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 50.00 C +ATOM 1123 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 50.00 C +ATOM 1124 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 50.00 C +ATOM 1125 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 50.00 C +ATOM 1126 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 50.00 C +ATOM 1127 H TRP A 67 -4.791 -6.999 -4.123 1.00 50.00 H +ATOM 1128 HA TRP A 67 -5.247 -5.328 -6.380 1.00 50.00 H +ATOM 1129 1HB TRP A 67 -4.341 -4.829 -3.532 1.00 50.00 H +ATOM 1130 2HB TRP A 67 -4.370 -3.508 -4.691 1.00 50.00 H +ATOM 1131 HD1 TRP A 67 -6.458 -4.892 -2.084 1.00 50.00 H +ATOM 1132 HE1 TRP A 67 -8.906 -4.153 -2.335 1.00 50.00 H +ATOM 1133 HE3 TRP A 67 -6.239 -3.244 -6.930 1.00 50.00 H +ATOM 1134 HZ2 TRP A 67 -10.571 -3.081 -4.345 1.00 50.00 H +ATOM 1135 HZ3 TRP A 67 -8.281 -2.405 -7.983 1.00 50.00 H +ATOM 1136 HH2 TRP A 67 -10.457 -2.310 -6.689 1.00 50.00 H +ATOM 1137 N TRP A 68 -2.074 -5.500 -5.420 1.00 50.00 N +ATOM 1138 CA TRP A 68 -0.684 -5.395 -5.889 1.00 50.00 C +ATOM 1139 C TRP A 68 -0.505 -6.141 -7.224 1.00 50.00 C +ATOM 1140 O TRP A 68 0.033 -5.577 -8.190 1.00 50.00 O +ATOM 1141 CB TRP A 68 0.308 -5.932 -4.838 1.00 50.00 C +ATOM 1142 CG TRP A 68 1.683 -6.181 -5.418 1.00 50.00 C +ATOM 1143 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 50.00 C +ATOM 1144 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 50.00 C +ATOM 1145 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 50.00 N +ATOM 1146 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 50.00 C +ATOM 1147 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 50.00 C +ATOM 1148 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 50.00 C +ATOM 1149 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 50.00 C +ATOM 1150 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 50.00 C +ATOM 1151 H TRP A 68 -2.255 -5.865 -4.496 1.00 50.00 H +ATOM 1152 HA TRP A 68 -0.457 -4.344 -6.065 1.00 50.00 H +ATOM 1153 1HB TRP A 68 0.394 -5.217 -4.020 1.00 50.00 H +ATOM 1154 2HB TRP A 68 -0.073 -6.863 -4.420 1.00 50.00 H +ATOM 1155 HD1 TRP A 68 1.605 -8.298 -5.958 1.00 50.00 H +ATOM 1156 HE1 TRP A 68 4.001 -7.921 -6.793 1.00 50.00 H +ATOM 1157 HE3 TRP A 68 2.015 -3.335 -4.795 1.00 50.00 H +ATOM 1158 HZ2 TRP A 68 5.838 -5.782 -7.031 1.00 50.00 H +ATOM 1159 HZ3 TRP A 68 4.170 -2.164 -5.303 1.00 50.00 H +ATOM 1160 HH2 TRP A 68 6.091 -3.416 -6.362 1.00 50.00 H +ATOM 1161 N TRP A 69 -1.001 -7.382 -7.298 1.00 50.00 N +ATOM 1162 CA TRP A 69 -0.869 -8.150 -8.513 1.00 50.00 C +ATOM 1163 C TRP A 69 -1.570 -7.446 -9.699 1.00 50.00 C +ATOM 1164 O TRP A 69 -1.030 -7.378 -10.803 1.00 50.00 O +ATOM 1165 CB TRP A 69 -1.414 -9.583 -8.302 1.00 50.00 C +ATOM 1166 CG TRP A 69 -1.372 -10.553 -9.508 1.00 50.00 C +ATOM 1167 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 50.00 C +ATOM 1168 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 50.00 C +ATOM 1169 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 50.00 N +ATOM 1170 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 50.00 C +ATOM 1171 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 50.00 C +ATOM 1172 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 50.00 C +ATOM 1173 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 50.00 C +ATOM 1174 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 50.00 C +ATOM 1175 H TRP A 69 -1.472 -7.793 -6.505 1.00 50.00 H +ATOM 1176 HA TRP A 69 0.188 -8.211 -8.770 1.00 50.00 H +ATOM 1177 1HB TRP A 69 -0.856 -10.070 -7.502 1.00 50.00 H +ATOM 1178 2HB TRP A 69 -2.457 -9.533 -7.990 1.00 50.00 H +ATOM 1179 HD1 TRP A 69 0.634 -10.268 -10.296 1.00 50.00 H +ATOM 1180 HE1 TRP A 69 -0.050 -12.042 -12.032 1.00 50.00 H +ATOM 1181 HE3 TRP A 69 -4.103 -11.190 -8.595 1.00 50.00 H +ATOM 1182 HZ2 TRP A 69 -2.309 -13.633 -12.610 1.00 50.00 H +ATOM 1183 HZ3 TRP A 69 -5.472 -12.904 -9.771 1.00 50.00 H +ATOM 1184 HH2 TRP A 69 -4.573 -14.096 -11.781 1.00 50.00 H +ATOM 1185 N TYR A 70 -2.786 -6.954 -9.458 1.00 50.00 N +ATOM 1186 CA TYR A 70 -3.540 -6.270 -10.506 1.00 50.00 C +ATOM 1187 C TYR A 70 -2.980 -4.895 -10.900 1.00 50.00 C +ATOM 1188 O TYR A 70 -2.765 -4.616 -12.073 1.00 50.00 O +ATOM 1189 CB TYR A 70 -5.022 -6.132 -10.117 1.00 50.00 C +ATOM 1190 CG TYR A 70 -5.914 -5.689 -11.251 1.00 50.00 C +ATOM 1191 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 50.00 C +ATOM 1192 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 50.00 C +ATOM 1193 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 50.00 C +ATOM 1194 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 50.00 C +ATOM 1195 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 50.00 C +ATOM 1196 OH TYR A 70 -8.329 -4.339 -14.391 1.00 50.00 O +ATOM 1197 H TYR A 70 -3.197 -7.052 -8.541 1.00 50.00 H +ATOM 1198 HA TYR A 70 -3.477 -6.862 -11.420 1.00 50.00 H +ATOM 1199 1HB TYR A 70 -5.392 -7.090 -9.748 1.00 50.00 H +ATOM 1200 2HB TYR A 70 -5.120 -5.410 -9.307 1.00 50.00 H +ATOM 1201 HD1 TYR A 70 -5.895 -7.581 -12.282 1.00 50.00 H +ATOM 1202 HD2 TYR A 70 -6.120 -3.681 -10.522 1.00 50.00 H +ATOM 1203 HE1 TYR A 70 -7.319 -6.825 -14.148 1.00 50.00 H +ATOM 1204 HE2 TYR A 70 -7.497 -2.907 -12.404 1.00 50.00 H +ATOM 1205 HH TYR A 70 -8.540 -3.417 -14.223 1.00 50.00 H +ATOM 1206 N LEU A 71 -2.780 -4.013 -9.924 1.00 50.00 N +ATOM 1207 CA LEU A 71 -2.413 -2.653 -10.235 1.00 50.00 C +ATOM 1208 C LEU A 71 -0.921 -2.582 -10.456 1.00 50.00 C +ATOM 1209 O LEU A 71 -0.467 -2.045 -11.473 1.00 50.00 O +ATOM 1210 CB LEU A 71 -2.797 -1.705 -9.122 1.00 50.00 C +ATOM 1211 CG LEU A 71 -4.264 -1.587 -8.739 1.00 50.00 C +ATOM 1212 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 50.00 C +ATOM 1213 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 50.00 C +ATOM 1214 H LEU A 71 -2.883 -4.286 -8.957 1.00 50.00 H +ATOM 1215 HA LEU A 71 -2.944 -2.349 -11.137 1.00 50.00 H +ATOM 1216 1HB LEU A 71 -2.270 -2.001 -8.216 1.00 50.00 H +ATOM 1217 2HB LEU A 71 -2.473 -0.700 -9.394 1.00 50.00 H +ATOM 1218 HG LEU A 71 -4.650 -2.571 -8.470 1.00 50.00 H +ATOM 1219 1HD1 LEU A 71 -5.429 -0.535 -7.314 1.00 50.00 H +ATOM 1220 2HD1 LEU A 71 -3.806 -1.002 -6.753 1.00 50.00 H +ATOM 1221 3HD1 LEU A 71 -3.998 0.343 -7.903 1.00 50.00 H +ATOM 1222 1HD2 LEU A 71 -6.131 -0.969 -9.587 1.00 50.00 H +ATOM 1223 2HD2 LEU A 71 -4.718 -0.053 -10.163 1.00 50.00 H +ATOM 1224 3HD2 LEU A 71 -5.002 -1.711 -10.746 1.00 50.00 H +ATOM 1225 N GLY A 72 -0.167 -3.153 -9.507 1.00 50.00 N +ATOM 1226 CA GLY A 72 1.261 -3.414 -9.673 1.00 50.00 C +ATOM 1227 C GLY A 72 1.555 -3.968 -11.044 1.00 50.00 C +ATOM 1228 O GLY A 72 2.327 -3.414 -11.753 1.00 50.00 O +ATOM 1229 H GLY A 72 -0.617 -3.411 -8.640 1.00 50.00 H +ATOM 1230 1HA GLY A 72 1.820 -2.490 -9.521 1.00 50.00 H +ATOM 1231 2HA GLY A 72 1.593 -4.119 -8.912 1.00 50.00 H +ATOM 1232 N GLY A 73 0.899 -5.063 -11.424 1.00 50.00 N +ATOM 1233 CA GLY A 73 1.183 -5.747 -12.682 1.00 50.00 C +ATOM 1234 C GLY A 73 0.863 -4.909 -13.921 1.00 50.00 C +ATOM 1235 O GLY A 73 1.577 -4.934 -14.938 1.00 50.00 O +ATOM 1236 H GLY A 73 0.180 -5.429 -10.816 1.00 50.00 H +ATOM 1237 1HA GLY A 73 2.237 -6.024 -12.716 1.00 50.00 H +ATOM 1238 2HA GLY A 73 0.607 -6.670 -12.732 1.00 50.00 H +ATOM 1239 N ALA A 74 -0.223 -4.141 -13.839 1.00 50.00 N +ATOM 1240 CA ALA A 74 -0.575 -3.209 -14.906 1.00 50.00 C +ATOM 1241 C ALA A 74 0.552 -2.153 -15.061 1.00 50.00 C +ATOM 1242 O ALA A 74 1.084 -1.951 -16.130 1.00 50.00 O +ATOM 1243 CB ALA A 74 -1.916 -2.541 -14.594 1.00 50.00 C +ATOM 1244 H ALA A 74 -0.816 -4.203 -13.024 1.00 50.00 H +ATOM 1245 HA ALA A 74 -0.665 -3.775 -15.834 1.00 50.00 H +ATOM 1246 1HB ALA A 74 -2.172 -1.847 -15.395 1.00 50.00 H +ATOM 1247 2HB ALA A 74 -2.692 -3.303 -14.512 1.00 50.00 H +ATOM 1248 3HB ALA A 74 -1.841 -1.998 -13.653 1.00 50.00 H +ATOM 1249 N VAL A 75 0.937 -1.525 -13.955 1.00 0.00 N +ATOM 1250 CA VAL A 75 1.968 -0.521 -14.014 1.00 0.00 C +ATOM 1251 C VAL A 75 3.241 -1.045 -14.673 1.00 0.00 C +ATOM 1252 O VAL A 75 3.751 -0.428 -15.568 1.00 0.00 O +ATOM 1253 CB VAL A 75 2.252 0.101 -12.645 1.00 0.00 C +ATOM 1254 CG1 VAL A 75 3.484 1.001 -12.706 1.00 0.00 C +ATOM 1255 CG2 VAL A 75 1.047 0.905 -12.207 1.00 0.00 C +ATOM 1256 H VAL A 75 0.513 -1.743 -13.065 1.00 0.00 H +ATOM 1257 HA VAL A 75 1.636 0.277 -14.679 1.00 0.00 H +ATOM 1258 HB VAL A 75 2.447 -0.696 -11.927 1.00 0.00 H +ATOM 1259 1HG1 VAL A 75 3.668 1.433 -11.722 1.00 0.00 H +ATOM 1260 2HG1 VAL A 75 4.349 0.413 -13.011 1.00 0.00 H +ATOM 1261 3HG1 VAL A 75 3.315 1.801 -13.426 1.00 0.00 H +ATOM 1262 1HG2 VAL A 75 1.242 1.351 -11.232 1.00 0.00 H +ATOM 1263 2HG2 VAL A 75 0.852 1.693 -12.934 1.00 0.00 H +ATOM 1264 3HG2 VAL A 75 0.178 0.250 -12.139 1.00 0.00 H +ATOM 1265 N GLU A 76 3.756 -2.172 -14.204 1.00 50.00 N +ATOM 1266 CA GLU A 76 4.966 -2.780 -14.764 1.00 50.00 C +ATOM 1267 C GLU A 76 4.819 -3.061 -16.229 1.00 50.00 C +ATOM 1268 O GLU A 76 5.722 -2.745 -17.009 1.00 50.00 O +ATOM 1269 CB GLU A 76 5.337 -4.079 -14.036 1.00 50.00 C +ATOM 1270 CG GLU A 76 6.632 -4.773 -14.469 1.00 50.00 C +ATOM 1271 CD GLU A 76 7.185 -5.644 -13.353 1.00 50.00 C +ATOM 1272 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 50.00 O +ATOM 1273 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 50.00 O +ATOM 1274 H GLU A 76 3.291 -2.624 -13.430 1.00 50.00 H +ATOM 1275 HA GLU A 76 5.792 -2.078 -14.646 1.00 50.00 H +ATOM 1276 1HB GLU A 76 5.434 -3.883 -12.968 1.00 50.00 H +ATOM 1277 2HB GLU A 76 4.537 -4.809 -14.164 1.00 50.00 H +ATOM 1278 1HG GLU A 76 6.428 -5.385 -15.347 1.00 50.00 H +ATOM 1279 2HG GLU A 76 7.362 -4.015 -14.750 1.00 50.00 H +ATOM 1280 N LYS A 77 3.690 -3.654 -16.619 1.00 0.00 N +ATOM 1281 CA LYS A 77 3.480 -4.008 -18.008 1.00 0.00 C +ATOM 1282 C LYS A 77 3.437 -2.774 -18.907 1.00 0.00 C +ATOM 1283 O LYS A 77 4.030 -2.773 -19.957 1.00 0.00 O +ATOM 1284 CB LYS A 77 2.196 -4.841 -18.189 1.00 0.00 C +ATOM 1285 CG LYS A 77 2.086 -5.643 -19.492 1.00 0.00 C +ATOM 1286 CD LYS A 77 3.211 -6.686 -19.720 1.00 0.00 C +ATOM 1287 CE LYS A 77 3.499 -7.653 -18.543 1.00 0.00 C +ATOM 1288 NZ LYS A 77 4.758 -7.393 -17.739 1.00 0.00 N +ATOM 1289 H LYS A 77 2.968 -3.862 -15.944 1.00 0.00 H +ATOM 1290 HA LYS A 77 4.326 -4.609 -18.344 1.00 0.00 H +ATOM 1291 1HB LYS A 77 2.107 -5.555 -17.369 1.00 0.00 H +ATOM 1292 2HB LYS A 77 1.327 -4.184 -18.147 1.00 0.00 H +ATOM 1293 1HG LYS A 77 1.140 -6.186 -19.507 1.00 0.00 H +ATOM 1294 2HG LYS A 77 2.106 -4.961 -20.342 1.00 0.00 H +ATOM 1295 1HD LYS A 77 2.960 -7.311 -20.578 1.00 0.00 H +ATOM 1296 2HD LYS A 77 4.148 -6.170 -19.930 1.00 0.00 H +ATOM 1297 1HE LYS A 77 2.672 -7.620 -17.835 1.00 0.00 H +ATOM 1298 2HE LYS A 77 3.584 -8.672 -18.921 1.00 0.00 H +ATOM 1299 1HZ LYS A 77 4.838 -8.083 -17.005 1.00 0.00 H +ATOM 1300 2HZ LYS A 77 5.564 -7.452 -18.346 1.00 0.00 H +ATOM 1301 3HZ LYS A 77 4.712 -6.471 -17.330 1.00 0.00 H +ATOM 1302 N ARG A 78 2.723 -1.724 -18.505 1.00 0.00 N +ATOM 1303 CA ARG A 78 2.514 -0.619 -19.436 1.00 0.00 C +ATOM 1304 C ARG A 78 3.598 0.461 -19.350 1.00 0.00 C +ATOM 1305 O ARG A 78 3.911 1.074 -20.358 1.00 0.00 O +ATOM 1306 CB ARG A 78 1.118 -0.004 -19.323 1.00 0.00 C +ATOM 1307 CG ARG A 78 -0.024 -0.962 -18.987 1.00 0.00 C +ATOM 1308 CD ARG A 78 -0.719 -1.698 -20.137 1.00 0.00 C +ATOM 1309 NE ARG A 78 -1.293 -2.982 -19.645 1.00 0.00 N +ATOM 1310 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 0.00 C +ATOM 1311 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 0.00 N +ATOM 1312 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 0.00 N +ATOM 1313 H ARG A 78 2.323 -1.669 -17.579 1.00 0.00 H +ATOM 1314 HA ARG A 78 2.624 -0.998 -20.453 1.00 0.00 H +ATOM 1315 1HB ARG A 78 1.121 0.764 -18.551 1.00 0.00 H +ATOM 1316 2HB ARG A 78 0.856 0.479 -20.264 1.00 0.00 H +ATOM 1317 1HG ARG A 78 0.344 -1.752 -18.332 1.00 0.00 H +ATOM 1318 2HG ARG A 78 -0.822 -0.415 -18.483 1.00 0.00 H +ATOM 1319 1HD ARG A 78 -1.520 -1.076 -20.535 1.00 0.00 H +ATOM 1320 2HD ARG A 78 0.004 -1.907 -20.925 1.00 0.00 H +ATOM 1321 HE ARG A 78 -0.853 -3.841 -19.948 1.00 0.00 H +ATOM 1322 1HH1 ARG A 78 -2.774 -1.144 -18.644 1.00 0.00 H +ATOM 1323 2HH1 ARG A 78 -3.833 -2.219 -17.760 1.00 0.00 H +ATOM 1324 1HH2 ARG A 78 -2.228 -5.164 -18.765 1.00 0.00 H +ATOM 1325 2HH2 ARG A 78 -3.528 -4.463 -17.828 1.00 0.00 H +ATOM 1326 N LEU A 79 4.149 0.681 -18.148 1.00 0.00 N +ATOM 1327 CA LEU A 79 5.096 1.764 -17.836 1.00 0.00 C +ATOM 1328 C LEU A 79 6.501 1.265 -17.501 1.00 0.00 C +ATOM 1329 O LEU A 79 7.452 2.044 -17.471 1.00 0.00 O +ATOM 1330 CB LEU A 79 4.569 2.617 -16.657 1.00 0.00 C +ATOM 1331 CG LEU A 79 3.120 3.071 -16.820 1.00 0.00 C +ATOM 1332 CD1 LEU A 79 2.574 3.988 -15.717 1.00 0.00 C +ATOM 1333 CD2 LEU A 79 3.013 3.776 -18.170 1.00 0.00 C +ATOM 1334 H LEU A 79 3.877 0.040 -17.417 1.00 0.00 H +ATOM 1335 HA LEU A 79 5.192 2.402 -18.713 1.00 0.00 H +ATOM 1336 1HB LEU A 79 4.649 2.032 -15.742 1.00 0.00 H +ATOM 1337 2HB LEU A 79 5.201 3.499 -16.556 1.00 0.00 H +ATOM 1338 HG LEU A 79 2.461 2.203 -16.789 1.00 0.00 H +ATOM 1339 1HD1 LEU A 79 1.538 4.246 -15.938 1.00 0.00 H +ATOM 1340 2HD1 LEU A 79 2.622 3.472 -14.758 1.00 0.00 H +ATOM 1341 3HD1 LEU A 79 3.172 4.897 -15.671 1.00 0.00 H +ATOM 1342 1HD2 LEU A 79 1.988 4.115 -18.323 1.00 0.00 H +ATOM 1343 2HD2 LEU A 79 3.686 4.634 -18.187 1.00 0.00 H +ATOM 1344 3HD2 LEU A 79 3.289 3.083 -18.965 1.00 0.00 H +ATOM 1345 N GLY A 80 6.649 -0.029 -17.226 1.00 0.00 N +ATOM 1346 CA GLY A 80 7.936 -0.594 -16.899 1.00 0.00 C +ATOM 1347 C GLY A 80 8.149 -0.945 -15.420 1.00 0.00 C +ATOM 1348 O GLY A 80 7.558 -0.357 -14.517 1.00 0.00 O +ATOM 1349 H GLY A 80 5.838 -0.631 -17.247 1.00 0.00 H +ATOM 1350 1HA GLY A 80 8.090 -1.506 -17.476 1.00 0.00 H +ATOM 1351 2HA GLY A 80 8.723 0.103 -17.185 1.00 0.00 H +ATOM 1352 N SER A 81 9.084 -1.876 -15.218 1.00 50.00 N +ATOM 1353 CA SER A 81 9.610 -2.278 -13.960 1.00 50.00 C +ATOM 1354 C SER A 81 10.106 -1.141 -13.084 1.00 50.00 C +ATOM 1355 O SER A 81 9.786 -1.094 -11.849 1.00 50.00 O +ATOM 1356 CB SER A 81 10.738 -3.281 -14.214 1.00 50.00 C +ATOM 1357 OG SER A 81 10.175 -4.509 -14.616 1.00 50.00 O +ATOM 1358 H SER A 81 9.429 -2.317 -16.059 1.00 50.00 H +ATOM 1359 HA SER A 81 8.813 -2.756 -13.388 1.00 50.00 H +ATOM 1360 1HB SER A 81 11.404 -2.892 -14.984 1.00 50.00 H +ATOM 1361 2HB SER A 81 11.325 -3.405 -13.305 1.00 50.00 H +ATOM 1362 HG SER A 81 9.224 -4.376 -14.620 1.00 50.00 H +ATOM 1363 N GLY A 82 10.856 -0.221 -13.693 1.00 50.00 N +ATOM 1364 CA GLY A 82 11.415 0.917 -12.984 1.00 50.00 C +ATOM 1365 C GLY A 82 10.372 1.795 -12.292 1.00 50.00 C +ATOM 1366 O GLY A 82 10.554 2.254 -11.157 1.00 50.00 O +ATOM 1367 H GLY A 82 11.039 -0.323 -14.681 1.00 50.00 H +ATOM 1368 1HA GLY A 82 12.119 0.566 -12.229 1.00 50.00 H +ATOM 1369 2HA GLY A 82 11.975 1.540 -13.680 1.00 50.00 H +ATOM 1370 N LYS A 83 9.278 2.055 -13.004 1.00 50.00 N +ATOM 1371 CA LYS A 83 8.226 2.884 -12.535 1.00 50.00 C +ATOM 1372 C LYS A 83 7.602 2.218 -11.293 1.00 50.00 C +ATOM 1373 O LYS A 83 7.356 2.866 -10.289 1.00 50.00 O +ATOM 1374 CB LYS A 83 7.191 3.021 -13.651 1.00 50.00 C +ATOM 1375 CG LYS A 83 5.988 3.878 -13.250 1.00 50.00 C +ATOM 1376 CD LYS A 83 6.355 5.312 -12.950 1.00 50.00 C +ATOM 1377 CE LYS A 83 6.635 6.065 -14.247 1.00 50.00 C +ATOM 1378 NZ LYS A 83 6.858 7.468 -13.855 1.00 50.00 N +ATOM 1379 H LYS A 83 9.204 1.637 -13.920 1.00 50.00 H +ATOM 1380 HA LYS A 83 8.639 3.864 -12.294 1.00 50.00 H +ATOM 1381 1HB LYS A 83 7.659 3.468 -14.529 1.00 50.00 H +ATOM 1382 2HB LYS A 83 6.833 2.032 -13.939 1.00 50.00 H +ATOM 1383 1HG LYS A 83 5.256 3.879 -14.058 1.00 50.00 H +ATOM 1384 2HG LYS A 83 5.521 3.456 -12.361 1.00 50.00 H +ATOM 1385 1HD LYS A 83 5.535 5.794 -12.416 1.00 50.00 H +ATOM 1386 2HD LYS A 83 7.241 5.336 -12.316 1.00 50.00 H +ATOM 1387 1HE LYS A 83 7.508 5.635 -14.735 1.00 50.00 H +ATOM 1388 2HE LYS A 83 5.783 5.962 -14.919 1.00 50.00 H +ATOM 1389 1HZ LYS A 83 7.050 8.022 -14.678 1.00 50.00 H +ATOM 1390 2HZ LYS A 83 6.033 7.825 -13.394 1.00 50.00 H +ATOM 1391 3HZ LYS A 83 7.645 7.521 -13.224 1.00 50.00 H +ATOM 1392 N LEU A 84 7.378 0.901 -11.364 1.00 50.00 N +ATOM 1393 CA LEU A 84 6.795 0.167 -10.239 1.00 50.00 C +ATOM 1394 C LEU A 84 7.734 0.212 -9.052 1.00 50.00 C +ATOM 1395 O LEU A 84 7.288 0.418 -7.942 1.00 50.00 O +ATOM 1396 CB LEU A 84 6.500 -1.289 -10.587 1.00 50.00 C +ATOM 1397 CG LEU A 84 5.770 -2.089 -9.484 1.00 50.00 C +ATOM 1398 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 50.00 C +ATOM 1399 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 50.00 C +ATOM 1400 H LEU A 84 7.614 0.400 -12.209 1.00 50.00 H +ATOM 1401 HA LEU A 84 5.852 0.641 -9.968 1.00 50.00 H +ATOM 1402 1HB LEU A 84 5.885 -1.314 -11.485 1.00 50.00 H +ATOM 1403 2HB LEU A 84 7.442 -1.793 -10.803 1.00 50.00 H +ATOM 1404 HG LEU A 84 6.429 -2.208 -8.624 1.00 50.00 H +ATOM 1405 1HD1 LEU A 84 4.070 -1.954 -8.194 1.00 50.00 H +ATOM 1406 2HD1 LEU A 84 4.856 -0.398 -8.548 1.00 50.00 H +ATOM 1407 3HD1 LEU A 84 3.854 -1.191 -9.787 1.00 50.00 H +ATOM 1408 1HD2 LEU A 84 4.857 -4.018 -9.192 1.00 50.00 H +ATOM 1409 2HD2 LEU A 84 4.700 -3.372 -10.844 1.00 50.00 H +ATOM 1410 3HD2 LEU A 84 6.260 -4.026 -10.288 1.00 50.00 H +ATOM 1411 N ILE A 85 9.040 0.020 -9.313 1.00 50.00 N +ATOM 1412 CA ILE A 85 10.052 0.154 -8.261 1.00 50.00 C +ATOM 1413 C ILE A 85 9.995 1.480 -7.489 1.00 50.00 C +ATOM 1414 O ILE A 85 9.971 1.471 -6.252 1.00 50.00 O +ATOM 1415 CB ILE A 85 11.462 -0.097 -8.811 1.00 50.00 C +ATOM 1416 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 50.00 C +ATOM 1417 CG2 ILE A 85 12.559 0.372 -7.830 1.00 50.00 C +ATOM 1418 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 50.00 C +ATOM 1419 H ILE A 85 9.333 -0.221 -10.249 1.00 50.00 H +ATOM 1420 HA ILE A 85 9.849 -0.588 -7.490 1.00 50.00 H +ATOM 1421 HB ILE A 85 11.589 0.446 -9.747 1.00 50.00 H +ATOM 1422 1HG1 ILE A 85 11.755 -2.134 -8.155 1.00 50.00 H +ATOM 1423 2HG1 ILE A 85 10.720 -1.980 -9.567 1.00 50.00 H +ATOM 1424 1HG2 ILE A 85 13.540 0.174 -8.260 1.00 50.00 H +ATOM 1425 2HG2 ILE A 85 12.451 1.440 -7.648 1.00 50.00 H +ATOM 1426 3HG2 ILE A 85 12.460 -0.168 -6.888 1.00 50.00 H +ATOM 1427 1HD1 ILE A 85 12.861 -2.997 -10.155 1.00 50.00 H +ATOM 1428 2HD1 ILE A 85 12.679 -1.419 -10.957 1.00 50.00 H +ATOM 1429 3HD1 ILE A 85 13.727 -1.576 -9.527 1.00 50.00 H +ATOM 1430 N VAL A 86 9.961 2.605 -8.208 1.00 50.00 N +ATOM 1431 CA VAL A 86 10.009 3.909 -7.558 1.00 50.00 C +ATOM 1432 C VAL A 86 8.719 4.231 -6.824 1.00 50.00 C +ATOM 1433 O VAL A 86 8.755 4.711 -5.708 1.00 50.00 O +ATOM 1434 CB VAL A 86 10.276 5.038 -8.597 1.00 50.00 C +ATOM 1435 CG1 VAL A 86 10.617 6.361 -7.906 1.00 50.00 C +ATOM 1436 CG2 VAL A 86 11.345 4.617 -9.595 1.00 50.00 C +ATOM 1437 H VAL A 86 9.901 2.559 -9.215 1.00 50.00 H +ATOM 1438 HA VAL A 86 10.825 3.905 -6.835 1.00 50.00 H +ATOM 1439 HB VAL A 86 9.352 5.250 -9.135 1.00 50.00 H +ATOM 1440 1HG1 VAL A 86 10.798 7.129 -8.659 1.00 50.00 H +ATOM 1441 2HG1 VAL A 86 9.785 6.665 -7.271 1.00 50.00 H +ATOM 1442 3HG1 VAL A 86 11.512 6.233 -7.297 1.00 50.00 H +ATOM 1443 1HG2 VAL A 86 11.512 5.422 -10.310 1.00 50.00 H +ATOM 1444 2HG2 VAL A 86 12.273 4.403 -9.065 1.00 50.00 H +ATOM 1445 3HG2 VAL A 86 11.016 3.723 -10.126 1.00 50.00 H +ATOM 1446 N ILE A 87 7.568 3.959 -7.452 1.00 0.00 N +ATOM 1447 CA ILE A 87 6.301 4.050 -6.723 1.00 0.00 C +ATOM 1448 C ILE A 87 6.347 3.286 -5.395 1.00 0.00 C +ATOM 1449 O ILE A 87 6.035 3.790 -4.315 1.00 0.00 O +ATOM 1450 CB ILE A 87 5.153 3.547 -7.559 1.00 0.00 C +ATOM 1451 CG1 ILE A 87 4.917 4.503 -8.700 1.00 0.00 C +ATOM 1452 CG2 ILE A 87 3.886 3.410 -6.707 1.00 0.00 C +ATOM 1453 CD1 ILE A 87 3.870 3.984 -9.679 1.00 0.00 C +ATOM 1454 H ILE A 87 7.557 3.690 -8.426 1.00 0.00 H +ATOM 1455 HA ILE A 87 6.115 5.096 -6.482 1.00 0.00 H +ATOM 1456 HB ILE A 87 5.406 2.572 -7.975 1.00 0.00 H +ATOM 1457 1HG1 ILE A 87 4.592 5.465 -8.307 1.00 0.00 H +ATOM 1458 2HG1 ILE A 87 5.852 4.669 -9.235 1.00 0.00 H +ATOM 1459 1HG2 ILE A 87 3.068 3.046 -7.328 1.00 0.00 H +ATOM 1460 2HG2 ILE A 87 4.067 2.705 -5.897 1.00 0.00 H +ATOM 1461 3HG2 ILE A 87 3.621 4.382 -6.290 1.00 0.00 H +ATOM 1462 1HD1 ILE A 87 3.735 4.707 -10.484 1.00 0.00 H +ATOM 1463 2HD1 ILE A 87 4.202 3.033 -10.097 1.00 0.00 H +ATOM 1464 3HD1 ILE A 87 2.924 3.841 -9.158 1.00 0.00 H +ATOM 1465 N THR A 88 6.822 2.059 -5.482 1.00 50.00 N +ATOM 1466 CA THR A 88 6.922 1.186 -4.321 1.00 50.00 C +ATOM 1467 C THR A 88 7.886 1.747 -3.275 1.00 50.00 C +ATOM 1468 O THR A 88 7.535 1.757 -2.122 1.00 50.00 O +ATOM 1469 CB THR A 88 7.357 -0.224 -4.730 1.00 50.00 C +ATOM 1470 OG1 THR A 88 6.422 -0.762 -5.652 1.00 50.00 O +ATOM 1471 CG2 THR A 88 7.452 -1.156 -3.491 1.00 50.00 C +ATOM 1472 H THR A 88 7.125 1.717 -6.383 1.00 50.00 H +ATOM 1473 HA THR A 88 5.940 1.120 -3.852 1.00 50.00 H +ATOM 1474 HB THR A 88 8.332 -0.178 -5.214 1.00 50.00 H +ATOM 1475 HG1 THR A 88 5.726 -0.120 -5.812 1.00 50.00 H +ATOM 1476 1HG2 THR A 88 7.763 -2.151 -3.808 1.00 50.00 H +ATOM 1477 2HG2 THR A 88 8.182 -0.754 -2.788 1.00 50.00 H +ATOM 1478 3HG2 THR A 88 6.478 -1.218 -3.007 1.00 50.00 H +ATOM 1479 N LEU A 89 9.103 2.178 -3.682 1.00 50.00 N +ATOM 1480 CA LEU A 89 10.076 2.716 -2.711 1.00 50.00 C +ATOM 1481 C LEU A 89 9.571 3.945 -1.995 1.00 50.00 C +ATOM 1482 O LEU A 89 9.786 4.104 -0.784 1.00 50.00 O +ATOM 1483 CB LEU A 89 11.431 3.055 -3.334 1.00 50.00 C +ATOM 1484 CG LEU A 89 12.201 1.847 -3.879 1.00 50.00 C +ATOM 1485 CD1 LEU A 89 13.495 2.314 -4.517 1.00 50.00 C +ATOM 1486 CD2 LEU A 89 12.478 0.780 -2.813 1.00 50.00 C +ATOM 1487 H LEU A 89 9.356 2.134 -4.659 1.00 50.00 H +ATOM 1488 HA LEU A 89 10.253 1.962 -1.945 1.00 50.00 H +ATOM 1489 1HB LEU A 89 11.272 3.756 -4.151 1.00 50.00 H +ATOM 1490 2HB LEU A 89 12.048 3.543 -2.580 1.00 50.00 H +ATOM 1491 HG LEU A 89 11.623 1.376 -4.675 1.00 50.00 H +ATOM 1492 1HD1 LEU A 89 14.041 1.454 -4.904 1.00 50.00 H +ATOM 1493 2HD1 LEU A 89 13.271 2.999 -5.335 1.00 50.00 H +ATOM 1494 3HD1 LEU A 89 14.104 2.825 -3.772 1.00 50.00 H +ATOM 1495 1HD2 LEU A 89 13.025 -0.050 -3.262 1.00 50.00 H +ATOM 1496 2HD2 LEU A 89 13.073 1.214 -2.009 1.00 50.00 H +ATOM 1497 3HD2 LEU A 89 11.533 0.415 -2.409 1.00 50.00 H +ATOM 1498 N ILE A 90 8.956 4.853 -2.758 1.00 50.00 N +ATOM 1499 CA ILE A 90 8.586 6.157 -2.274 1.00 50.00 C +ATOM 1500 C ILE A 90 7.365 5.962 -1.377 1.00 50.00 C +ATOM 1501 O ILE A 90 7.276 6.526 -0.309 1.00 50.00 O +ATOM 1502 CB ILE A 90 8.273 7.139 -3.453 1.00 50.00 C +ATOM 1503 CG1 ILE A 90 9.542 7.497 -4.241 1.00 50.00 C +ATOM 1504 CG2 ILE A 90 7.712 8.439 -2.883 1.00 50.00 C +ATOM 1505 CD1 ILE A 90 9.295 8.447 -5.431 1.00 50.00 C +ATOM 1506 H ILE A 90 8.746 4.605 -3.714 1.00 50.00 H +ATOM 1507 HA ILE A 90 9.421 6.564 -1.706 1.00 50.00 H +ATOM 1508 HB ILE A 90 7.541 6.685 -4.120 1.00 50.00 H +ATOM 1509 1HG1 ILE A 90 10.263 7.968 -3.574 1.00 50.00 H +ATOM 1510 2HG1 ILE A 90 10.001 6.586 -4.626 1.00 50.00 H +ATOM 1511 1HG2 ILE A 90 7.492 9.128 -3.698 1.00 50.00 H +ATOM 1512 2HG2 ILE A 90 6.798 8.229 -2.329 1.00 50.00 H +ATOM 1513 3HG2 ILE A 90 8.446 8.890 -2.214 1.00 50.00 H +ATOM 1514 1HD1 ILE A 90 10.240 8.651 -5.936 1.00 50.00 H +ATOM 1515 2HD1 ILE A 90 8.602 7.980 -6.132 1.00 50.00 H +ATOM 1516 3HD1 ILE A 90 8.869 9.381 -5.068 1.00 50.00 H +ATOM 1517 N SER A 91 6.402 5.187 -1.852 1.00 0.00 N +ATOM 1518 CA SER A 91 5.208 4.935 -1.044 1.00 0.00 C +ATOM 1519 C SER A 91 5.547 4.204 0.290 1.00 0.00 C +ATOM 1520 O SER A 91 5.039 4.591 1.340 1.00 0.00 O +ATOM 1521 CB SER A 91 4.110 4.212 -1.827 1.00 0.00 C +ATOM 1522 OG SER A 91 4.491 2.930 -2.196 1.00 0.00 O +ATOM 1523 H SER A 91 6.476 4.764 -2.766 1.00 0.00 H +ATOM 1524 HA SER A 91 4.803 5.894 -0.716 1.00 0.00 H +ATOM 1525 1HB SER A 91 3.207 4.155 -1.219 1.00 0.00 H +ATOM 1526 2HB SER A 91 3.866 4.783 -2.722 1.00 0.00 H +ATOM 1527 HG SER A 91 5.381 2.810 -1.856 1.00 0.00 H +ATOM 1528 N ALA A 92 6.430 3.205 0.228 1.00 50.00 N +ATOM 1529 CA ALA A 92 6.840 2.475 1.432 1.00 50.00 C +ATOM 1530 C ALA A 92 7.502 3.372 2.431 1.00 50.00 C +ATOM 1531 O ALA A 92 7.243 3.299 3.607 1.00 50.00 O +ATOM 1532 CB ALA A 92 7.735 1.288 1.123 1.00 50.00 C +ATOM 1533 H ALA A 92 6.825 2.944 -0.664 1.00 50.00 H +ATOM 1534 HA ALA A 92 5.942 2.096 1.920 1.00 50.00 H +ATOM 1535 1HB ALA A 92 8.007 0.786 2.052 1.00 50.00 H +ATOM 1536 2HB ALA A 92 7.204 0.590 0.475 1.00 50.00 H +ATOM 1537 3HB ALA A 92 8.637 1.634 0.620 1.00 50.00 H +ATOM 1538 N LEU A 93 8.399 4.234 1.958 1.00 50.00 N +ATOM 1539 CA LEU A 93 9.170 5.085 2.841 1.00 50.00 C +ATOM 1540 C LEU A 93 8.297 6.157 3.469 1.00 50.00 C +ATOM 1541 O LEU A 93 8.377 6.406 4.685 1.00 50.00 O +ATOM 1542 CB LEU A 93 10.253 5.742 2.020 1.00 50.00 C +ATOM 1543 CG LEU A 93 11.255 6.538 2.751 1.00 50.00 C +ATOM 1544 CD1 LEU A 93 12.007 5.714 3.787 1.00 50.00 C +ATOM 1545 CD2 LEU A 93 12.182 7.127 1.678 1.00 50.00 C +ATOM 1546 H LEU A 93 8.547 4.297 0.961 1.00 50.00 H +ATOM 1547 HA LEU A 93 9.617 4.464 3.616 1.00 50.00 H +ATOM 1548 1HB LEU A 93 10.794 4.969 1.477 1.00 50.00 H +ATOM 1549 2HB LEU A 93 9.784 6.407 1.294 1.00 50.00 H +ATOM 1550 HG LEU A 93 10.754 7.324 3.316 1.00 50.00 H +ATOM 1551 1HD1 LEU A 93 12.733 6.347 4.298 1.00 50.00 H +ATOM 1552 2HD1 LEU A 93 11.301 5.313 4.515 1.00 50.00 H +ATOM 1553 3HD1 LEU A 93 12.526 4.894 3.292 1.00 50.00 H +ATOM 1554 1HD2 LEU A 93 12.953 7.733 2.156 1.00 50.00 H +ATOM 1555 2HD2 LEU A 93 12.652 6.318 1.119 1.00 50.00 H +ATOM 1556 3HD2 LEU A 93 11.601 7.749 0.997 1.00 50.00 H +ATOM 1557 N LEU A 94 7.495 6.824 2.628 1.00 50.00 N +ATOM 1558 CA LEU A 94 6.707 7.958 3.091 1.00 50.00 C +ATOM 1559 C LEU A 94 5.571 7.467 3.996 1.00 50.00 C +ATOM 1560 O LEU A 94 5.290 8.079 5.050 1.00 50.00 O +ATOM 1561 CB LEU A 94 6.173 8.810 1.927 1.00 50.00 C +ATOM 1562 CG LEU A 94 7.132 9.898 1.446 1.00 50.00 C +ATOM 1563 CD1 LEU A 94 8.345 9.321 0.768 1.00 50.00 C +ATOM 1564 CD2 LEU A 94 6.449 10.832 0.477 1.00 50.00 C +ATOM 1565 H LEU A 94 7.431 6.543 1.660 1.00 50.00 H +ATOM 1566 HA LEU A 94 7.344 8.594 3.704 1.00 50.00 H +ATOM 1567 1HB LEU A 94 5.953 8.152 1.088 1.00 50.00 H +ATOM 1568 2HB LEU A 94 5.245 9.286 2.242 1.00 50.00 H +ATOM 1569 HG LEU A 94 7.483 10.477 2.300 1.00 50.00 H +ATOM 1570 1HD1 LEU A 94 8.999 10.130 0.442 1.00 50.00 H +ATOM 1571 2HD1 LEU A 94 8.882 8.680 1.467 1.00 50.00 H +ATOM 1572 3HD1 LEU A 94 8.034 8.736 -0.097 1.00 50.00 H +ATOM 1573 1HD2 LEU A 94 7.154 11.597 0.151 1.00 50.00 H +ATOM 1574 2HD2 LEU A 94 6.100 10.268 -0.388 1.00 50.00 H +ATOM 1575 3HD2 LEU A 94 5.599 11.307 0.967 1.00 50.00 H +ATOM 1576 N SER A 95 4.954 6.337 3.622 1.00 0.00 N +ATOM 1577 CA SER A 95 3.843 5.829 4.401 1.00 0.00 C +ATOM 1578 C SER A 95 4.321 5.391 5.758 1.00 0.00 C +ATOM 1579 O SER A 95 3.698 5.677 6.778 1.00 0.00 O +ATOM 1580 CB SER A 95 3.111 4.724 3.641 1.00 0.00 C +ATOM 1581 OG SER A 95 3.912 3.569 3.503 1.00 0.00 O +ATOM 1582 H SER A 95 5.252 5.830 2.801 1.00 0.00 H +ATOM 1583 HA SER A 95 3.144 6.647 4.582 1.00 0.00 H +ATOM 1584 1HB SER A 95 2.193 4.466 4.169 1.00 0.00 H +ATOM 1585 2HB SER A 95 2.829 5.087 2.654 1.00 0.00 H +ATOM 1586 HG SER A 95 4.745 3.772 3.935 1.00 0.00 H +ATOM 1587 N GLY A 96 5.503 4.771 5.800 1.00 50.00 N +ATOM 1588 CA GLY A 96 6.095 4.361 7.071 1.00 50.00 C +ATOM 1589 C GLY A 96 6.446 5.548 7.947 1.00 50.00 C +ATOM 1590 O GLY A 96 6.265 5.519 9.192 1.00 50.00 O +ATOM 1591 H GLY A 96 6.000 4.580 4.942 1.00 50.00 H +ATOM 1592 1HA GLY A 96 5.399 3.714 7.605 1.00 50.00 H +ATOM 1593 2HA GLY A 96 6.995 3.777 6.881 1.00 50.00 H +ATOM 1594 N TYR A 97 7.016 6.591 7.325 1.00 50.00 N +ATOM 1595 CA TYR A 97 7.429 7.741 8.084 1.00 50.00 C +ATOM 1596 C TYR A 97 6.207 8.365 8.764 1.00 50.00 C +ATOM 1597 O TYR A 97 6.279 8.743 9.932 1.00 50.00 O +ATOM 1598 CB TYR A 97 8.167 8.772 7.209 1.00 50.00 C +ATOM 1599 CG TYR A 97 8.054 10.160 7.699 1.00 50.00 C +ATOM 1600 CD1 TYR A 97 8.759 10.611 8.792 1.00 50.00 C +ATOM 1601 CD2 TYR A 97 7.176 11.028 7.098 1.00 50.00 C +ATOM 1602 CE1 TYR A 97 8.588 11.892 9.267 1.00 50.00 C +ATOM 1603 CE2 TYR A 97 7.029 12.314 7.551 1.00 50.00 C +ATOM 1604 CZ TYR A 97 7.723 12.736 8.640 1.00 50.00 C +ATOM 1605 OH TYR A 97 7.527 14.074 9.012 1.00 50.00 O +ATOM 1606 H TYR A 97 7.161 6.583 6.326 1.00 50.00 H +ATOM 1607 HA TYR A 97 8.114 7.412 8.866 1.00 50.00 H +ATOM 1608 1HB TYR A 97 9.226 8.515 7.158 1.00 50.00 H +ATOM 1609 2HB TYR A 97 7.772 8.737 6.194 1.00 50.00 H +ATOM 1610 HD1 TYR A 97 9.466 9.951 9.295 1.00 50.00 H +ATOM 1611 HD2 TYR A 97 6.581 10.698 6.247 1.00 50.00 H +ATOM 1612 HE1 TYR A 97 9.155 12.232 10.133 1.00 50.00 H +ATOM 1613 HE2 TYR A 97 6.354 12.999 7.038 1.00 50.00 H +ATOM 1614 HH TYR A 97 6.906 14.486 8.406 1.00 50.00 H +ATOM 1615 N VAL A 98 5.116 8.534 7.998 1.00 50.00 N +ATOM 1616 CA VAL A 98 3.931 9.200 8.509 1.00 50.00 C +ATOM 1617 C VAL A 98 3.227 8.362 9.576 1.00 50.00 C +ATOM 1618 O VAL A 98 2.778 8.887 10.587 1.00 50.00 O +ATOM 1619 CB VAL A 98 2.959 9.508 7.364 1.00 50.00 C +ATOM 1620 CG1 VAL A 98 1.630 10.007 7.929 1.00 50.00 C +ATOM 1621 CG2 VAL A 98 3.566 10.569 6.426 1.00 50.00 C +ATOM 1622 H VAL A 98 5.117 8.192 7.048 1.00 50.00 H +ATOM 1623 HA VAL A 98 4.235 10.139 8.973 1.00 50.00 H +ATOM 1624 HB VAL A 98 2.771 8.592 6.803 1.00 50.00 H +ATOM 1625 1HG1 VAL A 98 0.944 10.223 7.109 1.00 50.00 H +ATOM 1626 2HG1 VAL A 98 1.197 9.240 8.571 1.00 50.00 H +ATOM 1627 3HG1 VAL A 98 1.799 10.914 8.509 1.00 50.00 H +ATOM 1628 1HG2 VAL A 98 2.868 10.780 5.616 1.00 50.00 H +ATOM 1629 2HG2 VAL A 98 3.759 11.484 6.987 1.00 50.00 H +ATOM 1630 3HG2 VAL A 98 4.502 10.195 6.010 1.00 50.00 H +ATOM 1631 N GLN A 99 3.113 7.057 9.316 1.00 0.00 N +ATOM 1632 CA GLN A 99 2.569 6.129 10.276 1.00 0.00 C +ATOM 1633 C GLN A 99 3.281 6.186 11.594 1.00 0.00 C +ATOM 1634 O GLN A 99 2.622 6.243 12.666 1.00 0.00 O +ATOM 1635 CB GLN A 99 2.586 4.711 9.767 1.00 0.00 C +ATOM 1636 CG GLN A 99 1.851 3.725 10.713 1.00 0.00 C +ATOM 1637 CD GLN A 99 0.413 4.112 11.016 1.00 0.00 C +ATOM 1638 OE1 GLN A 99 -0.287 4.645 10.151 1.00 0.00 O +ATOM 1639 NE2 GLN A 99 -0.015 3.918 12.278 1.00 0.00 N +ATOM 1640 H GLN A 99 3.419 6.712 8.417 1.00 0.00 H +ATOM 1641 HA GLN A 99 1.532 6.401 10.471 1.00 0.00 H +ATOM 1642 1HB GLN A 99 2.115 4.671 8.785 1.00 0.00 H +ATOM 1643 2HB GLN A 99 3.617 4.379 9.648 1.00 0.00 H +ATOM 1644 1HG GLN A 99 1.833 2.738 10.250 1.00 0.00 H +ATOM 1645 2HG GLN A 99 2.385 3.682 11.662 1.00 0.00 H +ATOM 1646 1HE2 GLN A 99 -0.954 4.156 12.531 1.00 0.00 H +ATOM 1647 2HE2 GLN A 99 0.605 3.536 12.964 1.00 0.00 H +ATOM 1648 N GLN A 100 4.618 6.153 11.562 1.00 50.00 N +ATOM 1649 CA GLN A 100 5.358 6.124 12.827 1.00 50.00 C +ATOM 1650 C GLN A 100 5.259 7.443 13.552 1.00 50.00 C +ATOM 1651 O GLN A 100 5.189 7.459 14.771 1.00 50.00 O +ATOM 1652 CB GLN A 100 6.797 5.657 12.707 1.00 50.00 C +ATOM 1653 CG GLN A 100 7.753 6.506 11.875 1.00 50.00 C +ATOM 1654 CD GLN A 100 8.272 7.746 12.567 1.00 50.00 C +ATOM 1655 OE1 GLN A 100 8.501 7.721 13.799 1.00 50.00 O +ATOM 1656 NE2 GLN A 100 8.372 8.906 11.784 1.00 50.00 N +ATOM 1657 H GLN A 100 5.131 6.148 10.692 1.00 50.00 H +ATOM 1658 HA GLN A 100 4.860 5.429 13.503 1.00 50.00 H +ATOM 1659 1HB GLN A 100 7.241 5.588 13.700 1.00 50.00 H +ATOM 1660 2HB GLN A 100 6.820 4.660 12.268 1.00 50.00 H +ATOM 1661 1HG GLN A 100 8.621 5.903 11.609 1.00 50.00 H +ATOM 1662 2HG GLN A 100 7.238 6.837 10.973 1.00 50.00 H +ATOM 1663 1HE2 GLN A 100 8.709 9.757 12.190 1.00 50.00 H +ATOM 1664 2HE2 GLN A 100 8.106 8.884 10.820 1.00 50.00 H +ATOM 1665 N LYS A 101 5.190 8.553 12.807 1.00 50.00 N +ATOM 1666 CA LYS A 101 5.031 9.873 13.424 1.00 50.00 C +ATOM 1667 C LYS A 101 3.754 9.975 14.282 1.00 50.00 C +ATOM 1668 O LYS A 101 3.794 10.557 15.316 1.00 50.00 O +ATOM 1669 CB LYS A 101 4.981 10.975 12.367 1.00 50.00 C +ATOM 1670 CG LYS A 101 4.988 12.386 12.914 1.00 50.00 C +ATOM 1671 CD LYS A 101 6.120 12.644 13.905 1.00 50.00 C +ATOM 1672 CE LYS A 101 7.499 12.193 13.422 1.00 50.00 C +ATOM 1673 NZ LYS A 101 8.499 12.404 14.515 1.00 50.00 N +ATOM 1674 H LYS A 101 5.248 8.484 11.801 1.00 50.00 H +ATOM 1675 HA LYS A 101 5.889 10.058 14.071 1.00 50.00 H +ATOM 1676 1HB LYS A 101 5.837 10.877 11.698 1.00 50.00 H +ATOM 1677 2HB LYS A 101 4.080 10.860 11.764 1.00 50.00 H +ATOM 1678 1HG LYS A 101 5.093 13.095 12.092 1.00 50.00 H +ATOM 1679 2HG LYS A 101 4.045 12.584 13.422 1.00 50.00 H +ATOM 1680 1HD LYS A 101 6.182 13.712 14.117 1.00 50.00 H +ATOM 1681 2HD LYS A 101 5.914 12.118 14.837 1.00 50.00 H +ATOM 1682 1HE LYS A 101 7.461 11.140 13.146 1.00 50.00 H +ATOM 1683 2HE LYS A 101 7.781 12.767 12.540 1.00 50.00 H +ATOM 1684 1HZ LYS A 101 9.412 12.107 14.199 1.00 50.00 H +ATOM 1685 2HZ LYS A 101 8.530 13.384 14.760 1.00 50.00 H +ATOM 1686 3HZ LYS A 101 8.232 11.864 15.325 1.00 50.00 H +ATOM 1687 N PHE A 102 2.632 9.439 13.796 1.00 50.00 N +ATOM 1688 CA PHE A 102 1.340 9.565 14.477 1.00 50.00 C +ATOM 1689 C PHE A 102 1.176 8.532 15.569 1.00 50.00 C +ATOM 1690 O PHE A 102 0.634 8.844 16.586 1.00 50.00 O +ATOM 1691 CB PHE A 102 0.148 9.354 13.541 1.00 50.00 C +ATOM 1692 CG PHE A 102 -0.050 10.422 12.493 1.00 50.00 C +ATOM 1693 CD1 PHE A 102 0.611 11.648 12.537 1.00 50.00 C +ATOM 1694 CD2 PHE A 102 -0.979 10.198 11.458 1.00 50.00 C +ATOM 1695 CE1 PHE A 102 0.380 12.612 11.555 1.00 50.00 C +ATOM 1696 CE2 PHE A 102 -1.219 11.161 10.484 1.00 50.00 C +ATOM 1697 CZ PHE A 102 -0.535 12.368 10.533 1.00 50.00 C +ATOM 1698 H PHE A 102 2.682 8.929 12.926 1.00 50.00 H +ATOM 1699 HA PHE A 102 1.261 10.574 14.885 1.00 50.00 H +ATOM 1700 1HB PHE A 102 0.259 8.404 13.019 1.00 50.00 H +ATOM 1701 2HB PHE A 102 -0.769 9.300 14.126 1.00 50.00 H +ATOM 1702 HD1 PHE A 102 1.312 11.846 13.348 1.00 50.00 H +ATOM 1703 HD2 PHE A 102 -1.512 9.247 11.427 1.00 50.00 H +ATOM 1704 HE1 PHE A 102 0.917 13.560 11.586 1.00 50.00 H +ATOM 1705 HE2 PHE A 102 -1.938 10.975 9.687 1.00 50.00 H +ATOM 1706 HZ PHE A 102 -0.717 13.124 9.771 1.00 50.00 H +ATOM 1707 N SER A 103 1.654 7.309 15.330 1.00 0.00 N +ATOM 1708 CA SER A 103 1.315 6.144 16.135 1.00 0.00 C +ATOM 1709 C SER A 103 2.443 5.200 16.547 1.00 0.00 C +ATOM 1710 O SER A 103 2.187 4.151 17.118 1.00 0.00 O +ATOM 1711 CB SER A 103 0.337 5.332 15.294 1.00 0.00 C +ATOM 1712 OG SER A 103 -0.769 6.158 15.067 1.00 0.00 O +ATOM 1713 H SER A 103 2.283 7.200 14.547 1.00 0.00 H +ATOM 1714 HA SER A 103 0.844 6.486 17.058 1.00 0.00 H +ATOM 1715 1HB SER A 103 0.819 5.031 14.364 1.00 0.00 H +ATOM 1716 2HB SER A 103 0.064 4.424 15.829 1.00 0.00 H +ATOM 1717 HG SER A 103 -0.576 6.987 15.511 1.00 0.00 H +ATOM 1718 N GLY A 104 3.687 5.523 16.176 1.00 0.00 N +ATOM 1719 CA GLY A 104 4.832 4.717 16.553 1.00 0.00 C +ATOM 1720 C GLY A 104 5.183 3.600 15.574 1.00 0.00 C +ATOM 1721 O GLY A 104 4.581 3.426 14.517 1.00 0.00 O +ATOM 1722 H GLY A 104 3.831 6.352 15.617 1.00 0.00 H +ATOM 1723 1HA GLY A 104 5.709 5.356 16.656 1.00 0.00 H +ATOM 1724 2HA GLY A 104 4.651 4.261 17.526 1.00 0.00 H +ATOM 1725 N PRO A 105 6.245 2.837 15.894 1.00 0.00 N +ATOM 1726 CA PRO A 105 6.893 1.975 14.910 1.00 0.00 C +ATOM 1727 C PRO A 105 6.270 0.549 14.653 1.00 0.00 C +ATOM 1728 O PRO A 105 6.781 -0.221 13.835 1.00 0.00 O +ATOM 1729 CB PRO A 105 8.278 1.853 15.527 1.00 0.00 C +ATOM 1730 CG PRO A 105 7.991 1.863 17.020 1.00 0.00 C +ATOM 1731 CD PRO A 105 6.945 2.907 17.178 1.00 0.00 C +ATOM 1732 HA PRO A 105 6.915 2.489 13.938 1.00 0.00 H +ATOM 1733 1HB PRO A 105 8.763 0.928 15.182 1.00 0.00 H +ATOM 1734 2HB PRO A 105 8.911 2.690 15.198 1.00 0.00 H +ATOM 1735 1HG PRO A 105 7.655 0.869 17.349 1.00 0.00 H +ATOM 1736 2HG PRO A 105 8.909 2.090 17.582 1.00 0.00 H +ATOM 1737 1HD PRO A 105 6.290 2.646 18.022 1.00 0.00 H +ATOM 1738 2HD PRO A 105 7.423 3.883 17.346 1.00 0.00 H +ATOM 1739 N TRP A 106 5.212 0.207 15.388 1.00 0.00 N +ATOM 1740 CA TRP A 106 4.683 -1.163 15.429 1.00 0.00 C +ATOM 1741 C TRP A 106 3.568 -1.294 14.451 1.00 0.00 C +ATOM 1742 O TRP A 106 2.377 -1.399 14.832 1.00 0.00 O +ATOM 1743 CB TRP A 106 4.198 -1.503 16.838 1.00 0.00 C +ATOM 1744 CG TRP A 106 5.283 -1.363 17.794 1.00 0.00 C +ATOM 1745 CD1 TRP A 106 5.432 -0.375 18.707 1.00 0.00 C +ATOM 1746 CD2 TRP A 106 6.445 -2.191 17.891 1.00 0.00 C +ATOM 1747 NE1 TRP A 106 6.583 -0.576 19.437 1.00 0.00 N +ATOM 1748 CE2 TRP A 106 7.248 -1.663 18.928 1.00 0.00 C +ATOM 1749 CE3 TRP A 106 6.886 -3.323 17.214 1.00 0.00 C +ATOM 1750 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 0.00 C +ATOM 1751 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 0.00 C +ATOM 1752 CH2 TRP A 106 8.883 -3.334 18.635 1.00 0.00 C +ATOM 1753 H TRP A 106 4.761 0.925 15.937 1.00 0.00 H +ATOM 1754 HA TRP A 106 5.484 -1.851 15.159 1.00 0.00 H +ATOM 1755 1HB TRP A 106 3.375 -0.841 17.109 1.00 0.00 H +ATOM 1756 2HB TRP A 106 3.816 -2.524 16.855 1.00 0.00 H +ATOM 1757 HD1 TRP A 106 4.743 0.456 18.843 1.00 0.00 H +ATOM 1758 HE1 TRP A 106 6.889 -0.015 20.219 1.00 0.00 H +ATOM 1759 HE3 TRP A 106 6.291 -3.770 16.418 1.00 0.00 H +ATOM 1760 HZ2 TRP A 106 9.076 -1.805 20.096 1.00 0.00 H +ATOM 1761 HZ3 TRP A 106 8.487 -4.754 17.039 1.00 0.00 H +ATOM 1762 HH2 TRP A 106 9.823 -3.805 18.922 1.00 0.00 H +ATOM 1763 N PHE A 107 3.953 -1.253 13.172 1.00 0.00 N +ATOM 1764 CA PHE A 107 3.036 -1.371 12.064 1.00 0.00 C +ATOM 1765 C PHE A 107 3.677 -2.206 10.985 1.00 0.00 C +ATOM 1766 O PHE A 107 4.894 -2.447 10.990 1.00 0.00 O +ATOM 1767 CB PHE A 107 2.685 0.028 11.552 1.00 0.00 C +ATOM 1768 CG PHE A 107 3.828 0.751 10.923 1.00 0.00 C +ATOM 1769 CD1 PHE A 107 4.694 1.473 11.696 1.00 0.00 C +ATOM 1770 CD2 PHE A 107 4.036 0.686 9.563 1.00 0.00 C +ATOM 1771 CE1 PHE A 107 5.754 2.149 11.138 1.00 0.00 C +ATOM 1772 CE2 PHE A 107 5.099 1.359 8.987 1.00 0.00 C +ATOM 1773 CZ PHE A 107 5.967 2.072 9.789 1.00 0.00 C +ATOM 1774 H PHE A 107 4.938 -1.133 12.985 1.00 0.00 H +ATOM 1775 HA PHE A 107 2.129 -1.864 12.416 1.00 0.00 H +ATOM 1776 1HB PHE A 107 1.886 -0.044 10.816 1.00 0.00 H +ATOM 1777 2HB PHE A 107 2.315 0.635 12.377 1.00 0.00 H +ATOM 1778 HD1 PHE A 107 4.540 1.511 12.775 1.00 0.00 H +ATOM 1779 HD2 PHE A 107 3.345 0.121 8.937 1.00 0.00 H +ATOM 1780 HE1 PHE A 107 6.416 2.740 11.770 1.00 0.00 H +ATOM 1781 HE2 PHE A 107 5.254 1.330 7.909 1.00 0.00 H +ATOM 1782 HZ PHE A 107 6.823 2.575 9.342 1.00 0.00 H +ATOM 1783 N GLY A 108 2.854 -2.671 10.045 1.00 0.00 N +ATOM 1784 CA GLY A 108 3.360 -3.397 8.913 1.00 0.00 C +ATOM 1785 C GLY A 108 2.290 -3.577 7.884 1.00 0.00 C +ATOM 1786 O GLY A 108 1.119 -3.372 8.147 1.00 0.00 O +ATOM 1787 H GLY A 108 1.859 -2.514 10.124 1.00 0.00 H +ATOM 1788 1HA GLY A 108 4.205 -2.858 8.483 1.00 0.00 H +ATOM 1789 2HA GLY A 108 3.731 -4.368 9.240 1.00 0.00 H +ATOM 1790 N GLY A 109 2.702 -3.994 6.695 1.00 0.00 N +ATOM 1791 CA GLY A 109 1.759 -4.293 5.649 1.00 0.00 C +ATOM 1792 C GLY A 109 1.992 -3.517 4.370 1.00 0.00 C +ATOM 1793 O GLY A 109 2.476 -2.377 4.387 1.00 0.00 O +ATOM 1794 H GLY A 109 3.689 -4.106 6.514 1.00 0.00 H +ATOM 1795 1HA GLY A 109 1.800 -5.357 5.415 1.00 0.00 H +ATOM 1796 2HA GLY A 109 0.749 -4.080 5.998 1.00 0.00 H +ATOM 1797 N LEU A 110 1.579 -4.133 3.265 1.00 0.00 N +ATOM 1798 CA LEU A 110 1.649 -3.570 1.934 1.00 0.00 C +ATOM 1799 C LEU A 110 0.578 -2.498 1.537 1.00 0.00 C +ATOM 1800 O LEU A 110 0.643 -1.896 0.491 1.00 0.00 O +ATOM 1801 CB LEU A 110 1.690 -4.735 0.913 1.00 0.00 C +ATOM 1802 CG LEU A 110 2.211 -4.359 -0.471 1.00 0.00 C +ATOM 1803 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 0.00 C +ATOM 1804 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 0.00 C +ATOM 1805 H LEU A 110 1.193 -5.058 3.388 1.00 0.00 H +ATOM 1806 HA LEU A 110 2.562 -2.981 1.855 1.00 0.00 H +ATOM 1807 1HB LEU A 110 2.326 -5.524 1.311 1.00 0.00 H +ATOM 1808 2HB LEU A 110 0.682 -5.133 0.799 1.00 0.00 H +ATOM 1809 HG LEU A 110 1.627 -3.528 -0.866 1.00 0.00 H +ATOM 1810 1HD1 LEU A 110 4.058 -3.638 -1.344 1.00 0.00 H +ATOM 1811 2HD1 LEU A 110 3.749 -3.043 0.304 1.00 0.00 H +ATOM 1812 3HD1 LEU A 110 4.282 -4.722 0.049 1.00 0.00 H +ATOM 1813 1HD2 LEU A 110 2.425 -5.361 -2.367 1.00 0.00 H +ATOM 1814 2HD2 LEU A 110 2.643 -6.415 -0.949 1.00 0.00 H +ATOM 1815 3HD2 LEU A 110 1.012 -5.879 -1.417 1.00 0.00 H +ATOM 1816 N SER A 111 -0.388 -2.233 2.398 1.00 0.00 N +ATOM 1817 CA SER A 111 -1.473 -1.337 2.056 1.00 0.00 C +ATOM 1818 C SER A 111 -1.077 0.111 1.794 1.00 0.00 C +ATOM 1819 O SER A 111 -1.816 0.818 1.094 1.00 0.00 O +ATOM 1820 CB SER A 111 -2.582 -1.383 3.120 1.00 0.00 C +ATOM 1821 OG SER A 111 -2.152 -0.894 4.402 1.00 0.00 O +ATOM 1822 H SER A 111 -0.373 -2.661 3.313 1.00 0.00 H +ATOM 1823 HA SER A 111 -1.897 -1.655 1.103 1.00 0.00 H +ATOM 1824 1HB SER A 111 -3.430 -0.786 2.787 1.00 0.00 H +ATOM 1825 2HB SER A 111 -2.930 -2.408 3.238 1.00 0.00 H +ATOM 1826 HG SER A 111 -1.232 -0.641 4.294 1.00 0.00 H +ATOM 1827 N GLY A 112 0.060 0.563 2.342 1.00 0.00 N +ATOM 1828 CA GLY A 112 0.558 1.902 2.041 1.00 0.00 C +ATOM 1829 C GLY A 112 0.835 1.962 0.556 1.00 0.00 C +ATOM 1830 O GLY A 112 0.418 2.902 -0.174 1.00 0.00 O +ATOM 1831 H GLY A 112 0.584 -0.027 2.973 1.00 0.00 H +ATOM 1832 1HA GLY A 112 -0.184 2.642 2.341 1.00 0.00 H +ATOM 1833 2HA GLY A 112 1.458 2.095 2.624 1.00 0.00 H +ATOM 1834 N VAL A 113 1.540 0.924 0.096 1.00 0.00 N +ATOM 1835 CA VAL A 113 1.903 0.739 -1.310 1.00 0.00 C +ATOM 1836 C VAL A 113 0.659 0.516 -2.161 1.00 0.00 C +ATOM 1837 O VAL A 113 0.524 1.047 -3.201 1.00 0.00 O +ATOM 1838 CB VAL A 113 2.892 -0.431 -1.499 1.00 0.00 C +ATOM 1839 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 0.00 C +ATOM 1840 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 0.00 C +ATOM 1841 H VAL A 113 1.832 0.235 0.774 1.00 0.00 H +ATOM 1842 HA VAL A 113 2.387 1.650 -1.665 1.00 0.00 H +ATOM 1843 HB VAL A 113 2.451 -1.338 -1.084 1.00 0.00 H +ATOM 1844 1HG1 VAL A 113 3.846 -1.469 -3.090 1.00 0.00 H +ATOM 1845 2HG1 VAL A 113 2.210 -0.876 -3.463 1.00 0.00 H +ATOM 1846 3HG1 VAL A 113 3.575 0.264 -3.388 1.00 0.00 H +ATOM 1847 1HG2 VAL A 113 4.877 -1.018 -0.956 1.00 0.00 H +ATOM 1848 2HG2 VAL A 113 4.665 0.732 -1.207 1.00 0.00 H +ATOM 1849 3HG2 VAL A 113 4.034 -0.039 0.268 1.00 0.00 H +ATOM 1850 N VAL A 114 -0.262 -0.311 -1.683 1.00 0.00 N +ATOM 1851 CA VAL A 114 -1.478 -0.548 -2.407 1.00 0.00 C +ATOM 1852 C VAL A 114 -2.274 0.733 -2.602 1.00 0.00 C +ATOM 1853 O VAL A 114 -2.800 0.950 -3.716 1.00 0.00 O +ATOM 1854 CB VAL A 114 -2.323 -1.627 -1.738 1.00 0.00 C +ATOM 1855 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 0.00 C +ATOM 1856 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 0.00 C +ATOM 1857 H VAL A 114 -0.114 -0.782 -0.802 1.00 0.00 H +ATOM 1858 HA VAL A 114 -1.222 -0.889 -3.411 1.00 0.00 H +ATOM 1859 HB VAL A 114 -2.414 -1.398 -0.676 1.00 0.00 H +ATOM 1860 1HG1 VAL A 114 -4.287 -2.446 -1.842 1.00 0.00 H +ATOM 1861 2HG1 VAL A 114 -4.188 -0.704 -2.193 1.00 0.00 H +ATOM 1862 3HG1 VAL A 114 -3.630 -1.889 -3.399 1.00 0.00 H +ATOM 1863 1HG2 VAL A 114 -2.235 -3.739 -1.450 1.00 0.00 H +ATOM 1864 2HG2 VAL A 114 -1.545 -3.171 -2.989 1.00 0.00 H +ATOM 1865 3HG2 VAL A 114 -0.652 -2.927 -1.468 1.00 0.00 H +ATOM 1866 N TYR A 115 -2.370 1.562 -1.545 1.00 50.00 N +ATOM 1867 CA TYR A 115 -3.100 2.840 -1.628 1.00 50.00 C +ATOM 1868 C TYR A 115 -2.456 3.765 -2.681 1.00 50.00 C +ATOM 1869 O TYR A 115 -3.168 4.421 -3.422 1.00 50.00 O +ATOM 1870 CB TYR A 115 -3.245 3.589 -0.279 1.00 50.00 C +ATOM 1871 CG TYR A 115 -4.429 3.139 0.609 1.00 50.00 C +ATOM 1872 CD1 TYR A 115 -4.694 1.802 0.820 1.00 50.00 C +ATOM 1873 CD2 TYR A 115 -5.240 4.072 1.267 1.00 50.00 C +ATOM 1874 CE1 TYR A 115 -5.720 1.388 1.614 1.00 50.00 C +ATOM 1875 CE2 TYR A 115 -6.272 3.666 2.094 1.00 50.00 C +ATOM 1876 CZ TYR A 115 -6.507 2.309 2.268 1.00 50.00 C +ATOM 1877 OH TYR A 115 -7.530 1.842 3.089 1.00 50.00 O +ATOM 1878 H TYR A 115 -1.931 1.302 -0.673 1.00 50.00 H +ATOM 1879 HA TYR A 115 -4.111 2.638 -1.983 1.00 50.00 H +ATOM 1880 1HB TYR A 115 -2.334 3.463 0.308 1.00 50.00 H +ATOM 1881 2HB TYR A 115 -3.368 4.655 -0.466 1.00 50.00 H +ATOM 1882 HD1 TYR A 115 -4.074 1.042 0.345 1.00 50.00 H +ATOM 1883 HD2 TYR A 115 -5.064 5.139 1.131 1.00 50.00 H +ATOM 1884 HE1 TYR A 115 -5.901 0.323 1.759 1.00 50.00 H +ATOM 1885 HE2 TYR A 115 -6.890 4.409 2.599 1.00 50.00 H +ATOM 1886 HH TYR A 115 -7.996 2.588 3.474 1.00 50.00 H +ATOM 1887 N ALA A 116 -1.114 3.815 -2.718 1.00 50.00 N +ATOM 1888 CA ALA A 116 -0.371 4.592 -3.727 1.00 50.00 C +ATOM 1889 C ALA A 116 -0.724 4.110 -5.152 1.00 50.00 C +ATOM 1890 O ALA A 116 -1.013 4.907 -6.040 1.00 50.00 O +ATOM 1891 CB ALA A 116 1.118 4.457 -3.464 1.00 50.00 C +ATOM 1892 H ALA A 116 -0.600 3.295 -2.021 1.00 50.00 H +ATOM 1893 HA ALA A 116 -0.663 5.638 -3.632 1.00 50.00 H +ATOM 1894 1HB ALA A 116 1.672 5.030 -4.208 1.00 50.00 H +ATOM 1895 2HB ALA A 116 1.348 4.837 -2.468 1.00 50.00 H +ATOM 1896 3HB ALA A 116 1.405 3.408 -3.527 1.00 50.00 H +ATOM 1897 N LEU A 117 -0.798 2.786 -5.336 1.00 0.00 N +ATOM 1898 CA LEU A 117 -1.115 2.238 -6.659 1.00 0.00 C +ATOM 1899 C LEU A 117 -2.518 2.606 -7.093 1.00 0.00 C +ATOM 1900 O LEU A 117 -2.765 2.985 -8.265 1.00 0.00 O +ATOM 1901 CB LEU A 117 -0.934 0.708 -6.672 1.00 0.00 C +ATOM 1902 CG LEU A 117 0.514 0.291 -6.600 1.00 0.00 C +ATOM 1903 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 0.00 C +ATOM 1904 CD2 LEU A 117 1.256 0.753 -7.849 1.00 0.00 C +ATOM 1905 H LEU A 117 -0.636 2.152 -4.567 1.00 0.00 H +ATOM 1906 HA LEU A 117 -0.431 2.674 -7.387 1.00 0.00 H +ATOM 1907 1HB LEU A 117 -1.471 0.288 -5.823 1.00 0.00 H +ATOM 1908 2HB LEU A 117 -1.376 0.313 -7.587 1.00 0.00 H +ATOM 1909 HG LEU A 117 0.979 0.740 -5.722 1.00 0.00 H +ATOM 1910 1HD1 LEU A 117 1.616 -1.541 -6.405 1.00 0.00 H +ATOM 1911 2HD1 LEU A 117 0.057 -1.524 -5.549 1.00 0.00 H +ATOM 1912 3HD1 LEU A 117 0.097 -1.687 -7.321 1.00 0.00 H +ATOM 1913 1HD2 LEU A 117 2.301 0.447 -7.786 1.00 0.00 H +ATOM 1914 2HD2 LEU A 117 0.799 0.304 -8.731 1.00 0.00 H +ATOM 1915 3HD2 LEU A 117 1.200 1.839 -7.925 1.00 0.00 H +ATOM 1916 N MET A 118 -3.452 2.481 -6.146 1.00 50.00 N +ATOM 1917 CA MET A 118 -4.823 2.848 -6.403 1.00 50.00 C +ATOM 1918 C MET A 118 -4.954 4.271 -6.865 1.00 50.00 C +ATOM 1919 O MET A 118 -5.600 4.537 -7.901 1.00 50.00 O +ATOM 1920 CB MET A 118 -5.659 2.631 -5.171 1.00 50.00 C +ATOM 1921 CG MET A 118 -6.023 1.169 -4.942 1.00 50.00 C +ATOM 1922 SD MET A 118 -6.812 1.085 -3.306 1.00 50.00 S +ATOM 1923 CE MET A 118 -7.401 -0.599 -3.335 1.00 50.00 C +ATOM 1924 H MET A 118 -3.201 2.125 -5.235 1.00 50.00 H +ATOM 1925 HA MET A 118 -5.206 2.215 -7.203 1.00 50.00 H +ATOM 1926 1HB MET A 118 -5.120 2.994 -4.297 1.00 50.00 H +ATOM 1927 2HB MET A 118 -6.581 3.209 -5.250 1.00 50.00 H +ATOM 1928 1HG MET A 118 -6.697 0.834 -5.730 1.00 50.00 H +ATOM 1929 2HG MET A 118 -5.121 0.559 -4.983 1.00 50.00 H +ATOM 1930 1HE MET A 118 -7.914 -0.821 -2.399 1.00 50.00 H +ATOM 1931 2HE MET A 118 -8.092 -0.729 -4.169 1.00 50.00 H +ATOM 1932 3HE MET A 118 -6.556 -1.278 -3.455 1.00 50.00 H +ATOM 1933 N GLY A 119 -4.355 5.186 -6.100 1.00 50.00 N +ATOM 1934 CA GLY A 119 -4.369 6.593 -6.458 1.00 50.00 C +ATOM 1935 C GLY A 119 -3.620 6.898 -7.780 1.00 50.00 C +ATOM 1936 O GLY A 119 -4.047 7.728 -8.579 1.00 50.00 O +ATOM 1937 H GLY A 119 -3.882 4.898 -5.255 1.00 50.00 H +ATOM 1938 1HA GLY A 119 -5.400 6.933 -6.557 1.00 50.00 H +ATOM 1939 2HA GLY A 119 -3.913 7.176 -5.659 1.00 50.00 H +ATOM 1940 N TYR A 120 -2.478 6.225 -7.973 1.00 50.00 N +ATOM 1941 CA TYR A 120 -1.671 6.370 -9.154 1.00 50.00 C +ATOM 1942 C TYR A 120 -2.460 6.001 -10.424 1.00 50.00 C +ATOM 1943 O TYR A 120 -2.560 6.825 -11.395 1.00 50.00 O +ATOM 1944 CB TYR A 120 -0.370 5.552 -9.075 1.00 50.00 C +ATOM 1945 CG TYR A 120 0.523 5.911 -10.236 1.00 50.00 C +ATOM 1946 CD1 TYR A 120 1.361 7.033 -10.209 1.00 50.00 C +ATOM 1947 CD2 TYR A 120 0.490 5.158 -11.387 1.00 50.00 C +ATOM 1948 CE1 TYR A 120 2.157 7.355 -11.307 1.00 50.00 C +ATOM 1949 CE2 TYR A 120 1.253 5.463 -12.478 1.00 50.00 C +ATOM 1950 CZ TYR A 120 2.086 6.561 -12.446 1.00 50.00 C +ATOM 1951 OH TYR A 120 2.781 6.771 -13.575 1.00 50.00 O +ATOM 1952 H TYR A 120 -2.179 5.588 -7.248 1.00 50.00 H +ATOM 1953 HA TYR A 120 -1.398 7.420 -9.260 1.00 50.00 H +ATOM 1954 1HB TYR A 120 0.134 5.759 -8.130 1.00 50.00 H +ATOM 1955 2HB TYR A 120 -0.607 4.489 -9.093 1.00 50.00 H +ATOM 1956 HD1 TYR A 120 1.396 7.666 -9.322 1.00 50.00 H +ATOM 1957 HD2 TYR A 120 -0.161 4.286 -11.449 1.00 50.00 H +ATOM 1958 HE1 TYR A 120 2.804 8.231 -11.272 1.00 50.00 H +ATOM 1959 HE2 TYR A 120 1.201 4.839 -13.371 1.00 50.00 H +ATOM 1960 HH TYR A 120 2.559 6.092 -14.217 1.00 50.00 H +ATOM 1961 N VAL A 121 -2.966 4.756 -10.439 1.00 50.00 N +ATOM 1962 CA VAL A 121 -3.594 4.207 -11.644 1.00 50.00 C +ATOM 1963 C VAL A 121 -4.861 4.999 -11.930 1.00 50.00 C +ATOM 1964 O VAL A 121 -5.115 5.422 -13.073 1.00 50.00 O +ATOM 1965 CB VAL A 121 -3.861 2.692 -11.566 1.00 50.00 C +ATOM 1966 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 50.00 C +ATOM 1967 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 50.00 C +ATOM 1968 H VAL A 121 -2.915 4.185 -9.607 1.00 50.00 H +ATOM 1969 HA VAL A 121 -2.924 4.371 -12.489 1.00 50.00 H +ATOM 1970 HB VAL A 121 -4.463 2.484 -10.681 1.00 50.00 H +ATOM 1971 1HG1 VAL A 121 -4.864 1.135 -12.686 1.00 50.00 H +ATOM 1972 2HG1 VAL A 121 -5.650 2.728 -12.784 1.00 50.00 H +ATOM 1973 3HG1 VAL A 121 -4.151 2.417 -13.693 1.00 50.00 H +ATOM 1974 1HG2 VAL A 121 -2.756 0.858 -11.418 1.00 50.00 H +ATOM 1975 2HG2 VAL A 121 -1.944 2.135 -12.355 1.00 50.00 H +ATOM 1976 3HG2 VAL A 121 -2.009 2.239 -10.579 1.00 50.00 H +ATOM 1977 N TRP A 122 -5.639 5.261 -10.879 1.00 50.00 N +ATOM 1978 CA TRP A 122 -6.871 6.005 -11.060 1.00 50.00 C +ATOM 1979 C TRP A 122 -6.609 7.411 -11.681 1.00 50.00 C +ATOM 1980 O TRP A 122 -7.211 7.780 -12.688 1.00 50.00 O +ATOM 1981 CB TRP A 122 -7.608 6.191 -9.727 1.00 50.00 C +ATOM 1982 CG TRP A 122 -8.853 6.956 -9.952 1.00 50.00 C +ATOM 1983 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 50.00 C +ATOM 1984 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 50.00 C +ATOM 1985 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 50.00 N +ATOM 1986 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 50.00 C +ATOM 1987 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 50.00 C +ATOM 1988 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 50.00 C +ATOM 1989 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 50.00 C +ATOM 1990 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 50.00 C +ATOM 1991 H TRP A 122 -5.384 4.949 -9.953 1.00 50.00 H +ATOM 1992 HA TRP A 122 -7.518 5.443 -11.733 1.00 50.00 H +ATOM 1993 1HB TRP A 122 -7.834 5.215 -9.297 1.00 50.00 H +ATOM 1994 2HB TRP A 122 -6.962 6.716 -9.024 1.00 50.00 H +ATOM 1995 HD1 TRP A 122 -10.051 5.552 -11.078 1.00 50.00 H +ATOM 1996 HE1 TRP A 122 -11.778 7.469 -11.119 1.00 50.00 H +ATOM 1997 HE3 TRP A 122 -7.371 9.039 -8.508 1.00 50.00 H +ATOM 1998 HZ2 TRP A 122 -11.960 10.130 -10.171 1.00 50.00 H +ATOM 1999 HZ3 TRP A 122 -8.374 11.247 -8.104 1.00 50.00 H +ATOM 2000 HH2 TRP A 122 -10.644 11.806 -8.976 1.00 50.00 H +ATOM 2001 N LEU A 123 -5.730 8.181 -11.026 1.00 50.00 N +ATOM 2002 CA LEU A 123 -5.514 9.562 -11.388 1.00 50.00 C +ATOM 2003 C LEU A 123 -4.817 9.648 -12.756 1.00 50.00 C +ATOM 2004 O LEU A 123 -5.171 10.473 -13.579 1.00 50.00 O +ATOM 2005 CB LEU A 123 -4.719 10.318 -10.308 1.00 50.00 C +ATOM 2006 CG LEU A 123 -4.573 11.816 -10.693 1.00 50.00 C +ATOM 2007 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 50.00 C +ATOM 2008 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 50.00 C +ATOM 2009 H LEU A 123 -5.205 7.785 -10.259 1.00 50.00 H +ATOM 2010 HA LEU A 123 -6.484 10.047 -11.494 1.00 50.00 H +ATOM 2011 1HB LEU A 123 -5.242 10.219 -9.358 1.00 50.00 H +ATOM 2012 2HB LEU A 123 -3.738 9.853 -10.209 1.00 50.00 H +ATOM 2013 HG LEU A 123 -4.090 11.896 -11.667 1.00 50.00 H +ATOM 2014 1HD1 LEU A 123 -5.776 13.539 -11.164 1.00 50.00 H +ATOM 2015 2HD1 LEU A 123 -6.470 11.989 -11.697 1.00 50.00 H +ATOM 2016 3HD1 LEU A 123 -6.505 12.435 -9.974 1.00 50.00 H +ATOM 2017 1HD2 LEU A 123 -3.652 13.623 -9.981 1.00 50.00 H +ATOM 2018 2HD2 LEU A 123 -4.205 12.522 -8.697 1.00 50.00 H +ATOM 2019 3HD2 LEU A 123 -2.736 12.139 -9.625 1.00 50.00 H +ATOM 2020 N ARG A 124 -3.844 8.758 -12.988 1.00 0.00 N +ATOM 2021 CA ARG A 124 -3.121 8.743 -14.259 1.00 0.00 C +ATOM 2022 C ARG A 124 -4.117 8.483 -15.390 1.00 0.00 C +ATOM 2023 O ARG A 124 -4.081 9.146 -16.406 1.00 0.00 O +ATOM 2024 CB ARG A 124 -2.007 7.709 -14.199 1.00 0.00 C +ATOM 2025 CG ARG A 124 -1.047 7.685 -15.360 1.00 0.00 C +ATOM 2026 CD ARG A 124 0.014 8.779 -15.313 1.00 0.00 C +ATOM 2027 NE ARG A 124 0.735 8.872 -16.589 1.00 0.00 N +ATOM 2028 CZ ARG A 124 1.820 8.169 -16.932 1.00 0.00 C +ATOM 2029 NH1 ARG A 124 2.389 7.295 -16.123 1.00 0.00 N +ATOM 2030 NH2 ARG A 124 2.364 8.368 -18.108 1.00 0.00 N +ATOM 2031 H ARG A 124 -3.602 8.084 -12.276 1.00 0.00 H +ATOM 2032 HA ARG A 124 -2.684 9.729 -14.420 1.00 0.00 H +ATOM 2033 1HB ARG A 124 -1.410 7.869 -13.302 1.00 0.00 H +ATOM 2034 2HB ARG A 124 -2.440 6.711 -14.130 1.00 0.00 H +ATOM 2035 1HG ARG A 124 -0.522 6.730 -15.378 1.00 0.00 H +ATOM 2036 2HG ARG A 124 -1.599 7.814 -16.292 1.00 0.00 H +ATOM 2037 1HD ARG A 124 -0.461 9.738 -15.111 1.00 0.00 H +ATOM 2038 2HD ARG A 124 0.731 8.557 -14.524 1.00 0.00 H +ATOM 2039 HE ARG A 124 0.387 9.525 -17.279 1.00 0.00 H +ATOM 2040 1HH1 ARG A 124 2.006 7.135 -15.202 1.00 0.00 H +ATOM 2041 2HH1 ARG A 124 3.208 6.786 -16.424 1.00 0.00 H +ATOM 2042 1HH2 ARG A 124 1.963 9.046 -18.742 1.00 0.00 H +ATOM 2043 2HH2 ARG A 124 3.183 7.845 -18.380 1.00 0.00 H +ATOM 2044 N GLY A 125 -5.013 7.515 -15.173 1.00 0.00 N +ATOM 2045 CA GLY A 125 -6.136 7.249 -16.048 1.00 0.00 C +ATOM 2046 C GLY A 125 -6.964 8.487 -16.324 1.00 0.00 C +ATOM 2047 O GLY A 125 -7.189 8.835 -17.467 1.00 0.00 O +ATOM 2048 H GLY A 125 -4.886 6.946 -14.348 1.00 0.00 H +ATOM 2049 1HA GLY A 125 -5.773 6.847 -16.994 1.00 0.00 H +ATOM 2050 2HA GLY A 125 -6.774 6.488 -15.600 1.00 0.00 H +ATOM 2051 N GLU A 126 -7.394 9.173 -15.268 1.00 0.00 N +ATOM 2052 CA GLU A 126 -8.222 10.362 -15.426 1.00 0.00 C +ATOM 2053 C GLU A 126 -7.534 11.486 -16.208 1.00 0.00 C +ATOM 2054 O GLU A 126 -8.164 12.133 -17.038 1.00 0.00 O +ATOM 2055 CB GLU A 126 -8.706 10.881 -14.061 1.00 0.00 C +ATOM 2056 CG GLU A 126 -9.664 9.937 -13.348 1.00 0.00 C +ATOM 2057 CD GLU A 126 -10.903 9.568 -14.172 1.00 0.00 C +ATOM 2058 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 0.00 O +ATOM 2059 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 0.00 O +ATOM 2060 H GLU A 126 -7.144 8.867 -14.338 1.00 0.00 H +ATOM 2061 HA GLU A 126 -9.095 10.099 -16.024 1.00 0.00 H +ATOM 2062 1HB GLU A 126 -7.848 11.049 -13.410 1.00 0.00 H +ATOM 2063 2HB GLU A 126 -9.209 11.839 -14.193 1.00 0.00 H +ATOM 2064 1HG GLU A 126 -9.134 9.018 -13.098 1.00 0.00 H +ATOM 2065 2HG GLU A 126 -9.989 10.401 -12.418 1.00 0.00 H +ATOM 2066 N ARG A 127 -6.243 11.722 -15.936 1.00 0.00 N +ATOM 2067 CA ARG A 127 -5.539 12.899 -16.458 1.00 0.00 C +ATOM 2068 C ARG A 127 -4.823 12.654 -17.782 1.00 0.00 C +ATOM 2069 O ARG A 127 -4.539 13.574 -18.510 1.00 0.00 O +ATOM 2070 CB ARG A 127 -4.528 13.410 -15.429 1.00 0.00 C +ATOM 2071 CG ARG A 127 -5.155 14.040 -14.192 1.00 0.00 C +ATOM 2072 CD ARG A 127 -4.172 14.944 -13.448 1.00 0.00 C +ATOM 2073 NE ARG A 127 -3.884 16.165 -14.201 1.00 0.00 N +ATOM 2074 CZ ARG A 127 -2.674 16.679 -14.440 1.00 0.00 C +ATOM 2075 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 0.00 N +ATOM 2076 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 0.00 N +ATOM 2077 H ARG A 127 -5.742 11.067 -15.353 1.00 0.00 H +ATOM 2078 HA ARG A 127 -6.272 13.684 -16.650 1.00 0.00 H +ATOM 2079 1HB ARG A 127 -3.895 12.587 -15.101 1.00 0.00 H +ATOM 2080 2HB ARG A 127 -3.881 14.155 -15.893 1.00 0.00 H +ATOM 2081 1HG ARG A 127 -6.015 14.642 -14.486 1.00 0.00 H +ATOM 2082 2HG ARG A 127 -5.479 13.255 -13.508 1.00 0.00 H +ATOM 2083 1HD ARG A 127 -4.596 15.227 -12.485 1.00 0.00 H +ATOM 2084 2HD ARG A 127 -3.236 14.410 -13.289 1.00 0.00 H +ATOM 2085 HE ARG A 127 -4.668 16.678 -14.582 1.00 0.00 H +ATOM 2086 1HH1 ARG A 127 -1.633 15.310 -13.366 1.00 0.00 H +ATOM 2087 2HH1 ARG A 127 -0.673 16.550 -14.143 1.00 0.00 H +ATOM 2088 1HH2 ARG A 127 -3.393 18.218 -15.543 1.00 0.00 H +ATOM 2089 2HH2 ARG A 127 -1.655 18.170 -15.355 1.00 0.00 H +ATOM 2090 N ASP A 128 -4.536 11.391 -18.083 1.00 0.00 N +ATOM 2091 CA ASP A 128 -3.576 11.028 -19.107 1.00 0.00 C +ATOM 2092 C ASP A 128 -4.052 9.686 -19.649 1.00 0.00 C +ATOM 2093 O ASP A 128 -3.365 8.673 -19.529 1.00 0.00 O +ATOM 2094 CB ASP A 128 -2.196 10.931 -18.441 1.00 0.00 C +ATOM 2095 CG ASP A 128 -1.055 10.750 -19.420 1.00 0.00 C +ATOM 2096 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 0.00 O +ATOM 2097 OD2 ASP A 128 0.047 10.408 -18.924 1.00 0.00 O +ATOM 2098 H ASP A 128 -5.011 10.660 -17.573 1.00 0.00 H +ATOM 2099 HA ASP A 128 -3.568 11.810 -19.867 1.00 0.00 H +ATOM 2100 1HB ASP A 128 -2.007 11.835 -17.862 1.00 0.00 H +ATOM 2101 2HB ASP A 128 -2.185 10.090 -17.747 1.00 0.00 H +ATOM 2102 N PRO A 129 -5.283 9.654 -20.211 1.00 0.00 N +ATOM 2103 CA PRO A 129 -5.854 8.454 -20.824 1.00 0.00 C +ATOM 2104 C PRO A 129 -4.924 7.473 -21.560 1.00 0.00 C +ATOM 2105 O PRO A 129 -4.899 6.302 -21.224 1.00 0.00 O +ATOM 2106 CB PRO A 129 -6.858 9.051 -21.830 1.00 0.00 C +ATOM 2107 CG PRO A 129 -7.237 10.394 -21.275 1.00 0.00 C +ATOM 2108 CD PRO A 129 -6.219 10.793 -20.244 1.00 0.00 C +ATOM 2109 HA PRO A 129 -6.365 7.861 -20.051 1.00 0.00 H +ATOM 2110 1HB PRO A 129 -6.393 9.130 -22.824 1.00 0.00 H +ATOM 2111 2HB PRO A 129 -7.728 8.385 -21.934 1.00 0.00 H +ATOM 2112 1HG PRO A 129 -7.280 11.140 -22.082 1.00 0.00 H +ATOM 2113 2HG PRO A 129 -8.241 10.351 -20.828 1.00 0.00 H +ATOM 2114 1HD PRO A 129 -5.714 11.716 -20.565 1.00 0.00 H +ATOM 2115 2HD PRO A 129 -6.717 10.940 -19.274 1.00 0.00 H +ATOM 2116 N GLN A 130 -4.200 7.938 -22.576 1.00 0.00 N +ATOM 2117 CA GLN A 130 -3.542 7.011 -23.492 1.00 0.00 C +ATOM 2118 C GLN A 130 -2.048 6.792 -23.213 1.00 0.00 C +ATOM 2119 O GLN A 130 -1.258 6.579 -24.130 1.00 0.00 O +ATOM 2120 CB GLN A 130 -3.797 7.385 -24.967 1.00 0.00 C +ATOM 2121 CG GLN A 130 -5.228 7.811 -25.333 1.00 0.00 C +ATOM 2122 CD GLN A 130 -6.354 6.883 -24.856 1.00 0.00 C +ATOM 2123 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 0.00 O +ATOM 2124 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 0.00 N +ATOM 2125 H GLN A 130 -4.098 8.932 -22.724 1.00 0.00 H +ATOM 2126 HA GLN A 130 -3.946 6.013 -23.323 1.00 0.00 H +ATOM 2127 1HB GLN A 130 -3.143 8.209 -25.252 1.00 0.00 H +ATOM 2128 2HB GLN A 130 -3.551 6.537 -25.605 1.00 0.00 H +ATOM 2129 1HG GLN A 130 -5.429 8.788 -24.894 1.00 0.00 H +ATOM 2130 2HG GLN A 130 -5.314 7.865 -26.418 1.00 0.00 H +ATOM 2131 1HE2 GLN A 130 -8.346 6.611 -25.070 1.00 0.00 H +ATOM 2132 2HE2 GLN A 130 -7.678 7.942 -25.956 1.00 0.00 H +ATOM 2133 N SER A 131 -1.680 6.825 -21.929 1.00 0.00 N +ATOM 2134 CA SER A 131 -0.522 6.088 -21.433 1.00 0.00 C +ATOM 2135 C SER A 131 -0.938 4.618 -21.261 1.00 0.00 C +ATOM 2136 O SER A 131 -0.093 3.761 -20.966 1.00 0.00 O +ATOM 2137 CB SER A 131 -0.005 6.673 -20.118 1.00 0.00 C +ATOM 2138 OG SER A 131 -1.057 7.180 -19.311 1.00 0.00 O +ATOM 2139 H SER A 131 -2.224 7.379 -21.283 1.00 0.00 H +ATOM 2140 HA SER A 131 0.276 6.159 -22.173 1.00 0.00 H +ATOM 2141 1HB SER A 131 0.531 5.903 -19.563 1.00 0.00 H +ATOM 2142 2HB SER A 131 0.701 7.475 -20.330 1.00 0.00 H +ATOM 2143 HG SER A 131 -1.866 7.027 -19.804 1.00 0.00 H +ATOM 2144 N GLY A 132 -2.245 4.353 -21.457 1.00 0.00 N +ATOM 2145 CA GLY A 132 -2.818 3.027 -21.492 1.00 0.00 C +ATOM 2146 C GLY A 132 -3.008 2.443 -20.100 1.00 0.00 C +ATOM 2147 O GLY A 132 -3.111 1.224 -19.941 1.00 0.00 O +ATOM 2148 H GLY A 132 -2.848 5.153 -21.586 1.00 0.00 H +ATOM 2149 1HA GLY A 132 -3.782 3.060 -22.000 1.00 0.00 H +ATOM 2150 2HA GLY A 132 -2.173 2.367 -22.071 1.00 0.00 H +ATOM 2151 N ILE A 133 -3.043 3.310 -19.084 1.00 0.00 N +ATOM 2152 CA ILE A 133 -3.269 2.881 -17.720 1.00 0.00 C +ATOM 2153 C ILE A 133 -4.504 3.635 -17.184 1.00 0.00 C +ATOM 2154 O ILE A 133 -4.606 4.864 -17.304 1.00 0.00 O +ATOM 2155 CB ILE A 133 -1.983 3.065 -16.848 1.00 0.00 C +ATOM 2156 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 0.00 C +ATOM 2157 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 0.00 C +ATOM 2158 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 0.00 C +ATOM 2159 H ILE A 133 -2.908 4.293 -19.275 1.00 0.00 H +ATOM 2160 HA ILE A 133 -3.527 1.823 -17.729 1.00 0.00 H +ATOM 2161 HB ILE A 133 -1.099 2.896 -17.463 1.00 0.00 H +ATOM 2162 1HG1 ILE A 133 -2.917 1.652 -15.523 1.00 0.00 H +ATOM 2163 2HG1 ILE A 133 -1.376 1.115 -16.173 1.00 0.00 H +ATOM 2164 1HG2 ILE A 133 -0.972 4.545 -15.653 1.00 0.00 H +ATOM 2165 2HG2 ILE A 133 -1.851 5.205 -17.053 1.00 0.00 H +ATOM 2166 3HG2 ILE A 133 -2.748 4.659 -15.617 1.00 0.00 H +ATOM 2167 1HD1 ILE A 133 -1.215 1.564 -13.789 1.00 0.00 H +ATOM 2168 2HD1 ILE A 133 -0.192 2.696 -14.706 1.00 0.00 H +ATOM 2169 3HD1 ILE A 133 -1.754 3.240 -14.047 1.00 0.00 H +ATOM 2170 N TYR A 134 -5.460 2.883 -16.628 1.00 0.00 N +ATOM 2171 CA TYR A 134 -6.641 3.467 -15.977 1.00 0.00 C +ATOM 2172 C TYR A 134 -7.279 2.454 -15.025 1.00 0.00 C +ATOM 2173 O TYR A 134 -6.992 1.266 -15.073 1.00 0.00 O +ATOM 2174 CB TYR A 134 -7.663 3.946 -17.019 1.00 0.00 C +ATOM 2175 CG TYR A 134 -8.329 2.802 -17.733 1.00 0.00 C +ATOM 2176 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 0.00 C +ATOM 2177 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 0.00 C +ATOM 2178 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 0.00 C +ATOM 2179 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 0.00 C +ATOM 2180 CZ TYR A 134 -9.549 0.661 -19.041 1.00 0.00 C +ATOM 2181 OH TYR A 134 -10.145 -0.385 -19.695 1.00 0.00 O +ATOM 2182 H TYR A 134 -5.362 1.878 -16.659 1.00 0.00 H +ATOM 2183 HA TYR A 134 -6.321 4.327 -15.388 1.00 0.00 H +ATOM 2184 1HB TYR A 134 -8.427 4.551 -16.528 1.00 0.00 H +ATOM 2185 2HB TYR A 134 -7.165 4.580 -17.752 1.00 0.00 H +ATOM 2186 HD1 TYR A 134 -6.636 2.373 -19.012 1.00 0.00 H +ATOM 2187 HD2 TYR A 134 -10.190 2.944 -16.638 1.00 0.00 H +ATOM 2188 HE1 TYR A 134 -7.716 0.490 -20.169 1.00 0.00 H +ATOM 2189 HE2 TYR A 134 -11.257 1.053 -17.788 1.00 0.00 H +ATOM 2190 HH TYR A 134 -11.033 -0.511 -19.353 1.00 0.00 H +ATOM 2191 N LEU A 135 -8.143 2.950 -14.140 1.00 50.00 N +ATOM 2192 CA LEU A 135 -8.883 2.105 -13.214 1.00 50.00 C +ATOM 2193 C LEU A 135 -10.338 2.129 -13.686 1.00 50.00 C +ATOM 2194 O LEU A 135 -11.023 3.149 -13.567 1.00 50.00 O +ATOM 2195 CB LEU A 135 -8.721 2.621 -11.778 1.00 50.00 C +ATOM 2196 CG LEU A 135 -9.167 1.651 -10.693 1.00 50.00 C +ATOM 2197 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 50.00 C +ATOM 2198 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 50.00 C +ATOM 2199 H LEU A 135 -8.286 3.950 -14.115 1.00 50.00 H +ATOM 2200 HA LEU A 135 -8.480 1.094 -13.270 1.00 50.00 H +ATOM 2201 1HB LEU A 135 -7.671 2.857 -11.610 1.00 50.00 H +ATOM 2202 2HB LEU A 135 -9.300 3.538 -11.671 1.00 50.00 H +ATOM 2203 HG LEU A 135 -10.204 1.363 -10.866 1.00 50.00 H +ATOM 2204 1HD1 LEU A 135 -8.733 -0.309 -9.926 1.00 50.00 H +ATOM 2205 2HD1 LEU A 135 -8.513 -0.140 -11.684 1.00 50.00 H +ATOM 2206 3HD1 LEU A 135 -7.320 0.562 -10.566 1.00 50.00 H +ATOM 2207 1HD2 LEU A 135 -9.370 1.618 -8.561 1.00 50.00 H +ATOM 2208 2HD2 LEU A 135 -8.012 2.601 -9.160 1.00 50.00 H +ATOM 2209 3HD2 LEU A 135 -9.680 3.203 -9.309 1.00 50.00 H +ATOM 2210 N GLN A 136 -10.796 1.005 -14.250 1.00 50.00 N +ATOM 2211 CA GLN A 136 -12.175 0.847 -14.672 1.00 50.00 C +ATOM 2212 C GLN A 136 -13.106 1.176 -13.467 1.00 50.00 C +ATOM 2213 O GLN A 136 -12.832 0.800 -12.321 1.00 50.00 O +ATOM 2214 CB GLN A 136 -12.418 -0.578 -15.249 1.00 50.00 C +ATOM 2215 CG GLN A 136 -13.518 -0.662 -16.307 1.00 50.00 C +ATOM 2216 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.00 C +ATOM 2217 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 50.00 O +ATOM 2218 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 50.00 N +ATOM 2219 H GLN A 136 -10.150 0.240 -14.384 1.00 50.00 H +ATOM 2220 HA GLN A 136 -12.383 1.576 -15.455 1.00 50.00 H +ATOM 2221 1HB GLN A 136 -11.498 -0.950 -15.699 1.00 50.00 H +ATOM 2222 2HB GLN A 136 -12.685 -1.258 -14.440 1.00 50.00 H +ATOM 2223 1HG GLN A 136 -14.474 -0.420 -15.842 1.00 50.00 H +ATOM 2224 2HG GLN A 136 -13.298 0.050 -17.102 1.00 50.00 H +ATOM 2225 1HE2 GLN A 136 -14.348 -3.930 -16.646 1.00 50.00 H +ATOM 2226 2HE2 GLN A 136 -14.499 -2.845 -15.303 1.00 50.00 H +ATOM 2227 N ARG A 137 -14.155 1.948 -13.751 1.00 50.00 N +ATOM 2228 CA ARG A 137 -15.284 2.244 -12.871 1.00 50.00 C +ATOM 2229 C ARG A 137 -15.576 1.230 -11.780 1.00 50.00 C +ATOM 2230 O ARG A 137 -15.502 1.512 -10.576 1.00 50.00 O +ATOM 2231 CB ARG A 137 -16.523 2.317 -13.755 1.00 50.00 C +ATOM 2232 CG ARG A 137 -16.686 3.625 -14.484 1.00 50.00 C +ATOM 2233 CD ARG A 137 -17.939 3.549 -15.320 1.00 50.00 C +ATOM 2234 NE ARG A 137 -18.311 4.883 -15.692 1.00 50.00 N +ATOM 2235 CZ ARG A 137 -19.412 5.200 -16.318 1.00 50.00 C +ATOM 2236 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 50.00 N +ATOM 2237 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 50.00 N +ATOM 2238 H ARG A 137 -14.133 2.352 -14.676 1.00 50.00 H +ATOM 2239 HA ARG A 137 -15.104 3.205 -12.389 1.00 50.00 H +ATOM 2240 1HB ARG A 137 -16.487 1.521 -14.497 1.00 50.00 H +ATOM 2241 2HB ARG A 137 -17.414 2.158 -13.147 1.00 50.00 H +ATOM 2242 1HG ARG A 137 -16.768 4.437 -13.761 1.00 50.00 H +ATOM 2243 2HG ARG A 137 -15.820 3.795 -15.124 1.00 50.00 H +ATOM 2244 1HD ARG A 137 -17.746 2.952 -16.211 1.00 50.00 H +ATOM 2245 2HD ARG A 137 -18.736 3.087 -14.739 1.00 50.00 H +ATOM 2246 HE ARG A 137 -17.675 5.632 -15.453 1.00 50.00 H +ATOM 2247 1HH1 ARG A 137 -20.121 3.314 -16.490 1.00 50.00 H +ATOM 2248 2HH1 ARG A 137 -21.132 4.568 -17.172 1.00 50.00 H +ATOM 2249 1HH2 ARG A 137 -18.967 7.160 -16.268 1.00 50.00 H +ATOM 2250 2HH2 ARG A 137 -20.477 6.741 -17.044 1.00 50.00 H +ATOM 2251 N GLY A 138 -15.919 0.018 -12.221 1.00 50.00 N +ATOM 2252 CA GLY A 138 -16.153 -1.086 -11.331 1.00 50.00 C +ATOM 2253 C GLY A 138 -15.084 -1.198 -10.300 1.00 50.00 C +ATOM 2254 O GLY A 138 -15.335 -1.106 -9.114 1.00 50.00 O +ATOM 2255 H GLY A 138 -16.016 -0.123 -13.216 1.00 50.00 H +ATOM 2256 1HA GLY A 138 -17.118 -0.960 -10.841 1.00 50.00 H +ATOM 2257 2HA GLY A 138 -16.202 -2.011 -11.904 1.00 50.00 H +ATOM 2258 N LEU A 139 -13.850 -1.408 -10.750 1.00 0.00 N +ATOM 2259 CA LEU A 139 -12.792 -1.579 -9.817 1.00 0.00 C +ATOM 2260 C LEU A 139 -12.580 -0.368 -8.964 1.00 0.00 C +ATOM 2261 O LEU A 139 -12.101 -0.513 -7.855 1.00 0.00 O +ATOM 2262 CB LEU A 139 -11.471 -2.027 -10.477 1.00 0.00 C +ATOM 2263 CG LEU A 139 -11.357 -3.528 -10.795 1.00 0.00 C +ATOM 2264 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 0.00 C +ATOM 2265 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 0.00 C +ATOM 2266 H LEU A 139 -13.646 -1.449 -11.738 1.00 0.00 H +ATOM 2267 HA LEU A 139 -13.080 -2.353 -9.106 1.00 0.00 H +ATOM 2268 1HB LEU A 139 -11.347 -1.481 -11.411 1.00 0.00 H +ATOM 2269 2HB LEU A 139 -10.646 -1.766 -9.815 1.00 0.00 H +ATOM 2270 HG LEU A 139 -10.322 -3.771 -11.039 1.00 0.00 H +ATOM 2271 1HD1 LEU A 139 -11.613 -5.425 -9.820 1.00 0.00 H +ATOM 2272 2HD1 LEU A 139 -11.013 -4.127 -8.761 1.00 0.00 H +ATOM 2273 3HD1 LEU A 139 -12.722 -4.151 -9.259 1.00 0.00 H +ATOM 2274 1HD2 LEU A 139 -12.130 -4.987 -12.177 1.00 0.00 H +ATOM 2275 2HD2 LEU A 139 -13.279 -3.696 -11.751 1.00 0.00 H +ATOM 2276 3HD2 LEU A 139 -11.931 -3.357 -12.863 1.00 0.00 H +ATOM 2277 N ILE A 140 -12.864 0.832 -9.483 1.00 50.00 N +ATOM 2278 CA ILE A 140 -12.641 2.001 -8.639 1.00 50.00 C +ATOM 2279 C ILE A 140 -13.682 2.073 -7.553 1.00 50.00 C +ATOM 2280 O ILE A 140 -13.347 2.470 -6.444 1.00 50.00 O +ATOM 2281 CB ILE A 140 -12.456 3.359 -9.353 1.00 50.00 C +ATOM 2282 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 50.00 C +ATOM 2283 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 50.00 C +ATOM 2284 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 50.00 C +ATOM 2285 H ILE A 140 -13.220 0.962 -10.419 1.00 50.00 H +ATOM 2286 HA ILE A 140 -11.725 1.847 -8.070 1.00 50.00 H +ATOM 2287 HB ILE A 140 -11.485 3.381 -9.848 1.00 50.00 H +ATOM 2288 1HG1 ILE A 140 -12.295 5.493 -8.872 1.00 50.00 H +ATOM 2289 2HG1 ILE A 140 -13.375 4.611 -7.803 1.00 50.00 H +ATOM 2290 1HG2 ILE A 140 -13.353 4.555 -10.865 1.00 50.00 H +ATOM 2291 2HG2 ILE A 140 -13.472 2.801 -11.134 1.00 50.00 H +ATOM 2292 3HG2 ILE A 140 -14.496 3.584 -9.908 1.00 50.00 H +ATOM 2293 1HD1 ILE A 140 -11.455 5.455 -6.610 1.00 50.00 H +ATOM 2294 2HD1 ILE A 140 -11.446 3.675 -6.606 1.00 50.00 H +ATOM 2295 3HD1 ILE A 140 -10.352 4.569 -7.688 1.00 50.00 H +ATOM 2296 N ILE A 141 -14.914 1.629 -7.843 1.00 50.00 N +ATOM 2297 CA ILE A 141 -15.867 1.448 -6.766 1.00 50.00 C +ATOM 2298 C ILE A 141 -15.269 0.559 -5.668 1.00 50.00 C +ATOM 2299 O ILE A 141 -15.298 0.917 -4.474 1.00 50.00 O +ATOM 2300 CB ILE A 141 -17.183 0.881 -7.262 1.00 50.00 C +ATOM 2301 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 50.00 C +ATOM 2302 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 50.00 C +ATOM 2303 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 50.00 C +ATOM 2304 H ILE A 141 -15.195 1.418 -8.790 1.00 50.00 H +ATOM 2305 HA ILE A 141 -16.069 2.419 -6.316 1.00 50.00 H +ATOM 2306 HB ILE A 141 -16.990 0.137 -8.034 1.00 50.00 H +ATOM 2307 1HG1 ILE A 141 -17.370 2.335 -8.833 1.00 50.00 H +ATOM 2308 2HG1 ILE A 141 -18.895 1.624 -8.329 1.00 50.00 H +ATOM 2309 1HG2 ILE A 141 -18.897 -0.187 -6.482 1.00 50.00 H +ATOM 2310 2HG2 ILE A 141 -17.357 -0.597 -5.690 1.00 50.00 H +ATOM 2311 3HG2 ILE A 141 -18.158 0.951 -5.330 1.00 50.00 H +ATOM 2312 1HD1 ILE A 141 -18.737 3.959 -7.612 1.00 50.00 H +ATOM 2313 2HD1 ILE A 141 -18.789 2.872 -6.202 1.00 50.00 H +ATOM 2314 3HD1 ILE A 141 -17.245 3.595 -6.714 1.00 50.00 H +ATOM 2315 N PHE A 142 -14.688 -0.574 -6.064 1.00 50.00 N +ATOM 2316 CA PHE A 142 -14.228 -1.521 -5.079 1.00 50.00 C +ATOM 2317 C PHE A 142 -12.992 -0.988 -4.364 1.00 50.00 C +ATOM 2318 O PHE A 142 -12.780 -1.252 -3.152 1.00 50.00 O +ATOM 2319 CB PHE A 142 -14.070 -2.910 -5.697 1.00 50.00 C +ATOM 2320 CG PHE A 142 -15.368 -3.493 -6.188 1.00 50.00 C +ATOM 2321 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 50.00 C +ATOM 2322 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 50.00 C +ATOM 2323 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 50.00 C +ATOM 2324 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 50.00 C +ATOM 2325 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 50.00 C +ATOM 2326 H PHE A 142 -14.563 -0.784 -7.044 1.00 50.00 H +ATOM 2327 HA PHE A 142 -14.970 -1.579 -4.281 1.00 50.00 H +ATOM 2328 1HB PHE A 142 -13.376 -2.858 -6.535 1.00 50.00 H +ATOM 2329 2HB PHE A 142 -13.643 -3.589 -4.960 1.00 50.00 H +ATOM 2330 HD1 PHE A 142 -16.233 -3.663 -4.224 1.00 50.00 H +ATOM 2331 HD2 PHE A 142 -14.829 -3.429 -8.271 1.00 50.00 H +ATOM 2332 HE1 PHE A 142 -18.353 -4.625 -5.028 1.00 50.00 H +ATOM 2333 HE2 PHE A 142 -16.965 -4.380 -9.051 1.00 50.00 H +ATOM 2334 HZ PHE A 142 -18.719 -4.931 -7.445 1.00 50.00 H +ATOM 2335 N ALA A 143 -12.185 -0.190 -5.078 1.00 50.00 N +ATOM 2336 CA ALA A 143 -11.049 0.449 -4.442 1.00 50.00 C +ATOM 2337 C ALA A 143 -11.560 1.433 -3.405 1.00 50.00 C +ATOM 2338 O ALA A 143 -11.096 1.490 -2.250 1.00 50.00 O +ATOM 2339 CB ALA A 143 -10.147 1.164 -5.444 1.00 50.00 C +ATOM 2340 H ALA A 143 -12.356 -0.025 -6.060 1.00 50.00 H +ATOM 2341 HA ALA A 143 -10.457 -0.323 -3.950 1.00 50.00 H +ATOM 2342 1HB ALA A 143 -9.312 1.626 -4.917 1.00 50.00 H +ATOM 2343 2HB ALA A 143 -9.766 0.444 -6.168 1.00 50.00 H +ATOM 2344 3HB ALA A 143 -10.718 1.933 -5.963 1.00 50.00 H +ATOM 2345 N LEU A 144 -12.551 2.211 -3.826 1.00 50.00 N +ATOM 2346 CA LEU A 144 -13.136 3.191 -2.974 1.00 50.00 C +ATOM 2347 C LEU A 144 -13.780 2.566 -1.671 1.00 50.00 C +ATOM 2348 O LEU A 144 -13.589 3.070 -0.559 1.00 50.00 O +ATOM 2349 CB LEU A 144 -14.061 4.037 -3.805 1.00 50.00 C +ATOM 2350 CG LEU A 144 -14.680 5.221 -3.093 1.00 50.00 C +ATOM 2351 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 50.00 C +ATOM 2352 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 50.00 C +ATOM 2353 H LEU A 144 -12.899 2.108 -4.769 1.00 50.00 H +ATOM 2354 HA LEU A 144 -12.340 3.810 -2.561 1.00 50.00 H +ATOM 2355 1HB LEU A 144 -13.508 4.417 -4.662 1.00 50.00 H +ATOM 2356 2HB LEU A 144 -14.872 3.408 -4.172 1.00 50.00 H +ATOM 2357 HG LEU A 144 -15.195 4.877 -2.196 1.00 50.00 H +ATOM 2358 1HD1 LEU A 144 -14.166 7.040 -2.069 1.00 50.00 H +ATOM 2359 2HD1 LEU A 144 -12.993 5.719 -1.858 1.00 50.00 H +ATOM 2360 3HD1 LEU A 144 -13.066 6.606 -3.399 1.00 50.00 H +ATOM 2361 1HD2 LEU A 144 -16.139 6.737 -3.577 1.00 50.00 H +ATOM 2362 2HD2 LEU A 144 -15.145 6.208 -4.956 1.00 50.00 H +ATOM 2363 3HD2 LEU A 144 -16.442 5.157 -4.339 1.00 50.00 H +ATOM 2364 N ILE A 145 -14.499 1.452 -1.821 1.00 50.00 N +ATOM 2365 CA ILE A 145 -15.037 0.727 -0.675 1.00 50.00 C +ATOM 2366 C ILE A 145 -13.898 0.256 0.269 1.00 50.00 C +ATOM 2367 O ILE A 145 -14.020 0.349 1.489 1.00 50.00 O +ATOM 2368 CB ILE A 145 -15.929 -0.457 -1.150 1.00 50.00 C +ATOM 2369 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 50.00 C +ATOM 2370 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 50.00 C +ATOM 2371 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 50.00 C +ATOM 2372 H ILE A 145 -14.675 1.102 -2.752 1.00 50.00 H +ATOM 2373 HA ILE A 145 -15.649 1.412 -0.089 1.00 50.00 H +ATOM 2374 HB ILE A 145 -15.399 -1.029 -1.911 1.00 50.00 H +ATOM 2375 1HG1 ILE A 145 -17.874 0.453 -0.934 1.00 50.00 H +ATOM 2376 2HG1 ILE A 145 -17.059 0.857 -2.437 1.00 50.00 H +ATOM 2377 1HG2 ILE A 145 -16.907 -2.205 -0.407 1.00 50.00 H +ATOM 2378 2HG2 ILE A 145 -15.373 -1.813 0.403 1.00 50.00 H +ATOM 2379 3HG2 ILE A 145 -16.830 -0.852 0.747 1.00 50.00 H +ATOM 2380 1HD1 ILE A 145 -18.968 -0.581 -2.835 1.00 50.00 H +ATOM 2381 2HD1 ILE A 145 -17.455 -1.409 -3.277 1.00 50.00 H +ATOM 2382 3HD1 ILE A 145 -18.283 -1.818 -1.756 1.00 50.00 H +ATOM 2383 N TRP A 146 -12.801 -0.252 -0.310 1.00 0.00 N +ATOM 2384 CA TRP A 146 -11.646 -0.716 0.460 1.00 0.00 C +ATOM 2385 C TRP A 146 -11.077 0.429 1.322 1.00 0.00 C +ATOM 2386 O TRP A 146 -10.792 0.270 2.510 1.00 0.00 O +ATOM 2387 CB TRP A 146 -10.559 -1.281 -0.478 1.00 0.00 C +ATOM 2388 CG TRP A 146 -9.650 -2.244 0.233 1.00 0.00 C +ATOM 2389 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 0.00 C +ATOM 2390 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 0.00 C +ATOM 2391 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 0.00 N +ATOM 2392 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 0.00 C +ATOM 2393 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 0.00 C +ATOM 2394 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 0.00 C +ATOM 2395 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 0.00 C +ATOM 2396 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 0.00 C +ATOM 2397 H TRP A 146 -12.777 -0.314 -1.318 1.00 0.00 H +ATOM 2398 HA TRP A 146 -11.974 -1.511 1.130 1.00 0.00 H +ATOM 2399 1HB TRP A 146 -11.032 -1.789 -1.319 1.00 0.00 H +ATOM 2400 2HB TRP A 146 -9.966 -0.461 -0.883 1.00 0.00 H +ATOM 2401 HD1 TRP A 146 -7.682 -1.271 0.172 1.00 0.00 H +ATOM 2402 HE1 TRP A 146 -6.908 -3.372 1.517 1.00 0.00 H +ATOM 2403 HE3 TRP A 146 -12.174 -3.735 0.420 1.00 0.00 H +ATOM 2404 HZ2 TRP A 146 -8.098 -5.723 2.541 1.00 0.00 H +ATOM 2405 HZ3 TRP A 146 -12.292 -5.906 1.600 1.00 0.00 H +ATOM 2406 HH2 TRP A 146 -10.253 -6.896 2.618 1.00 0.00 H +ATOM 2407 N ILE A 147 -10.983 1.606 0.713 1.00 50.00 N +ATOM 2408 CA ILE A 147 -10.478 2.801 1.385 1.00 50.00 C +ATOM 2409 C ILE A 147 -11.423 3.218 2.511 1.00 50.00 C +ATOM 2410 O ILE A 147 -10.998 3.535 3.591 1.00 50.00 O +ATOM 2411 CB ILE A 147 -10.279 3.943 0.359 1.00 50.00 C +ATOM 2412 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 50.00 C +ATOM 2413 CG2 ILE A 147 -9.966 5.250 1.047 1.00 50.00 C +ATOM 2414 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 50.00 C +ATOM 2415 H ILE A 147 -11.274 1.670 -0.252 1.00 50.00 H +ATOM 2416 HA ILE A 147 -9.516 2.563 1.837 1.00 50.00 H +ATOM 2417 HB ILE A 147 -11.189 4.069 -0.226 1.00 50.00 H +ATOM 2418 1HG1 ILE A 147 -8.183 3.656 -0.095 1.00 50.00 H +ATOM 2419 2HG1 ILE A 147 -9.256 2.580 -0.976 1.00 50.00 H +ATOM 2420 1HG2 ILE A 147 -9.831 6.031 0.299 1.00 50.00 H +ATOM 2421 2HG2 ILE A 147 -10.789 5.519 1.708 1.00 50.00 H +ATOM 2422 3HG2 ILE A 147 -9.051 5.144 1.630 1.00 50.00 H +ATOM 2423 1HD1 ILE A 147 -8.273 4.252 -2.467 1.00 50.00 H +ATOM 2424 2HD1 ILE A 147 -10.037 4.469 -2.357 1.00 50.00 H +ATOM 2425 3HD1 ILE A 147 -8.948 5.559 -1.466 1.00 50.00 H +ATOM 2426 N VAL A 148 -12.730 3.201 2.240 1.00 50.00 N +ATOM 2427 CA VAL A 148 -13.726 3.490 3.265 1.00 50.00 C +ATOM 2428 C VAL A 148 -13.616 2.504 4.445 1.00 50.00 C +ATOM 2429 O VAL A 148 -13.747 2.897 5.608 1.00 50.00 O +ATOM 2430 CB VAL A 148 -15.146 3.473 2.682 1.00 50.00 C +ATOM 2431 CG1 VAL A 148 -16.182 3.654 3.780 1.00 50.00 C +ATOM 2432 CG2 VAL A 148 -15.306 4.596 1.651 1.00 50.00 C +ATOM 2433 H VAL A 148 -13.037 2.983 1.303 1.00 50.00 H +ATOM 2434 HA VAL A 148 -13.532 4.486 3.664 1.00 50.00 H +ATOM 2435 HB VAL A 148 -15.319 2.511 2.200 1.00 50.00 H +ATOM 2436 1HG1 VAL A 148 -17.181 3.638 3.344 1.00 50.00 H +ATOM 2437 2HG1 VAL A 148 -16.090 2.845 4.504 1.00 50.00 H +ATOM 2438 3HG1 VAL A 148 -16.020 4.609 4.279 1.00 50.00 H +ATOM 2439 1HG2 VAL A 148 -16.316 4.574 1.243 1.00 50.00 H +ATOM 2440 2HG2 VAL A 148 -15.128 5.559 2.131 1.00 50.00 H +ATOM 2441 3HG2 VAL A 148 -14.586 4.455 0.844 1.00 50.00 H +ATOM 2442 N ALA A 149 -13.405 1.218 4.138 1.00 50.00 N +ATOM 2443 CA ALA A 149 -13.307 0.181 5.163 1.00 50.00 C +ATOM 2444 C ALA A 149 -12.171 0.538 6.135 1.00 50.00 C +ATOM 2445 O ALA A 149 -12.349 0.513 7.373 1.00 50.00 O +ATOM 2446 CB ALA A 149 -13.016 -1.166 4.532 1.00 50.00 C +ATOM 2447 H ALA A 149 -13.311 0.960 3.166 1.00 50.00 H +ATOM 2448 HA ALA A 149 -14.264 0.126 5.682 1.00 50.00 H +ATOM 2449 1HB ALA A 149 -12.947 -1.925 5.311 1.00 50.00 H +ATOM 2450 2HB ALA A 149 -13.819 -1.426 3.842 1.00 50.00 H +ATOM 2451 3HB ALA A 149 -12.074 -1.117 3.989 1.00 50.00 H +ATOM 2452 N GLY A 150 -11.017 0.867 5.545 1.00 50.00 N +ATOM 2453 CA GLY A 150 -9.818 1.253 6.281 1.00 50.00 C +ATOM 2454 C GLY A 150 -10.058 2.499 7.114 1.00 50.00 C +ATOM 2455 O GLY A 150 -9.734 2.511 8.307 1.00 50.00 O +ATOM 2456 H GLY A 150 -10.988 0.843 4.536 1.00 50.00 H +ATOM 2457 1HA GLY A 150 -9.509 0.433 6.929 1.00 50.00 H +ATOM 2458 2HA GLY A 150 -9.003 1.433 5.580 1.00 50.00 H +ATOM 2459 N TRP A 151 -10.695 3.511 6.517 1.00 50.00 N +ATOM 2460 CA TRP A 151 -10.857 4.782 7.192 1.00 50.00 C +ATOM 2461 C TRP A 151 -11.727 4.646 8.461 1.00 50.00 C +ATOM 2462 O TRP A 151 -11.420 5.164 9.515 1.00 50.00 O +ATOM 2463 CB TRP A 151 -11.453 5.854 6.257 1.00 50.00 C +ATOM 2464 CG TRP A 151 -11.410 7.178 6.914 1.00 50.00 C +ATOM 2465 CD1 TRP A 151 -12.455 7.899 7.436 1.00 50.00 C +ATOM 2466 CD2 TRP A 151 -10.221 7.910 7.226 1.00 50.00 C +ATOM 2467 NE1 TRP A 151 -11.995 9.059 8.007 1.00 50.00 N +ATOM 2468 CE2 TRP A 151 -10.624 9.087 7.908 1.00 50.00 C +ATOM 2469 CE3 TRP A 151 -8.849 7.692 6.983 1.00 50.00 C +ATOM 2470 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 50.00 C +ATOM 2471 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 50.00 C +ATOM 2472 CH2 TRP A 151 -8.365 9.801 8.106 1.00 50.00 C +ATOM 2473 H TRP A 151 -11.070 3.397 5.586 1.00 50.00 H +ATOM 2474 HA TRP A 151 -9.876 5.127 7.519 1.00 50.00 H +ATOM 2475 1HB TRP A 151 -10.888 5.878 5.325 1.00 50.00 H +ATOM 2476 2HB TRP A 151 -12.481 5.590 6.010 1.00 50.00 H +ATOM 2477 HD1 TRP A 151 -13.500 7.595 7.402 1.00 50.00 H +ATOM 2478 HE1 TRP A 151 -12.569 9.775 8.430 1.00 50.00 H +ATOM 2479 HE3 TRP A 151 -8.515 6.798 6.457 1.00 50.00 H +ATOM 2480 HZ2 TRP A 151 -10.004 10.949 8.881 1.00 50.00 H +ATOM 2481 HZ3 TRP A 151 -6.878 8.451 7.243 1.00 50.00 H +ATOM 2482 HH2 TRP A 151 -7.617 10.523 8.436 1.00 50.00 H +ATOM 2483 N PHE A 152 -12.845 3.942 8.336 1.00 50.00 N +ATOM 2484 CA PHE A 152 -13.766 3.769 9.410 1.00 50.00 C +ATOM 2485 C PHE A 152 -13.474 2.486 10.175 1.00 50.00 C +ATOM 2486 O PHE A 152 -14.227 2.111 10.999 1.00 50.00 O +ATOM 2487 CB PHE A 152 -15.189 3.792 8.850 1.00 50.00 C +ATOM 2488 CG PHE A 152 -15.604 5.121 8.347 1.00 50.00 C +ATOM 2489 CD1 PHE A 152 -16.006 6.092 9.221 1.00 50.00 C +ATOM 2490 CD2 PHE A 152 -15.556 5.403 7.001 1.00 50.00 C +ATOM 2491 CE1 PHE A 152 -16.403 7.339 8.762 1.00 50.00 C +ATOM 2492 CE2 PHE A 152 -15.923 6.645 6.522 1.00 50.00 C +ATOM 2493 CZ PHE A 152 -16.365 7.618 7.404 1.00 50.00 C +ATOM 2494 H PHE A 152 -13.045 3.515 7.443 1.00 50.00 H +ATOM 2495 HA PHE A 152 -13.639 4.595 10.111 1.00 50.00 H +ATOM 2496 1HB PHE A 152 -15.270 3.076 8.033 1.00 50.00 H +ATOM 2497 2HB PHE A 152 -15.890 3.485 9.625 1.00 50.00 H +ATOM 2498 HD1 PHE A 152 -16.012 5.877 10.290 1.00 50.00 H +ATOM 2499 HD2 PHE A 152 -15.208 4.634 6.311 1.00 50.00 H +ATOM 2500 HE1 PHE A 152 -16.743 8.096 9.468 1.00 50.00 H +ATOM 2501 HE2 PHE A 152 -15.867 6.862 5.455 1.00 50.00 H +ATOM 2502 HZ PHE A 152 -16.682 8.594 7.038 1.00 50.00 H +ATOM 2503 N ASP A 153 -12.335 1.848 9.912 1.00 50.00 N +ATOM 2504 CA ASP A 153 -11.899 0.657 10.632 1.00 50.00 C +ATOM 2505 C ASP A 153 -12.958 -0.405 10.672 1.00 50.00 C +ATOM 2506 O ASP A 153 -13.323 -0.896 11.726 1.00 50.00 O +ATOM 2507 CB ASP A 153 -11.395 0.924 12.080 1.00 50.00 C +ATOM 2508 CG ASP A 153 -10.542 -0.289 12.632 1.00 50.00 C +ATOM 2509 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 50.00 O +ATOM 2510 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 50.00 O +ATOM 2511 H ASP A 153 -11.753 2.218 9.174 1.00 50.00 H +ATOM 2512 HA ASP A 153 -11.066 0.210 10.089 1.00 50.00 H +ATOM 2513 1HB ASP A 153 -10.787 1.829 12.093 1.00 50.00 H +ATOM 2514 2HB ASP A 153 -12.249 1.094 12.737 1.00 50.00 H +ATOM 2515 N LEU A 154 -13.416 -0.805 9.488 1.00 50.00 N +ATOM 2516 CA LEU A 154 -14.434 -1.827 9.392 1.00 50.00 C +ATOM 2517 C LEU A 154 -13.824 -3.241 9.528 1.00 50.00 C +ATOM 2518 O LEU A 154 -14.517 -4.217 9.470 1.00 50.00 O +ATOM 2519 CB LEU A 154 -15.242 -1.599 8.106 1.00 50.00 C +ATOM 2520 CG LEU A 154 -15.960 -0.234 8.058 1.00 50.00 C +ATOM 2521 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 50.00 C +ATOM 2522 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 50.00 C +ATOM 2523 H LEU A 154 -13.051 -0.393 8.641 1.00 50.00 H +ATOM 2524 HA LEU A 154 -15.093 -1.741 10.255 1.00 50.00 H +ATOM 2525 1HB LEU A 154 -14.567 -1.669 7.255 1.00 50.00 H +ATOM 2526 2HB LEU A 154 -15.987 -2.390 8.019 1.00 50.00 H +ATOM 2527 HG LEU A 154 -15.220 0.566 8.030 1.00 50.00 H +ATOM 2528 1HD1 LEU A 154 -17.274 0.884 6.752 1.00 50.00 H +ATOM 2529 2HD1 LEU A 154 -16.113 -0.162 5.901 1.00 50.00 H +ATOM 2530 3HD1 LEU A 154 -17.526 -0.877 6.712 1.00 50.00 H +ATOM 2531 1HD2 LEU A 154 -17.327 0.949 9.194 1.00 50.00 H +ATOM 2532 2HD2 LEU A 154 -17.596 -0.808 9.304 1.00 50.00 H +ATOM 2533 3HD2 LEU A 154 -16.231 -0.061 10.168 1.00 50.00 H +ATOM 2534 N PHE A 155 -12.525 -3.309 9.806 1.00 0.00 N +ATOM 2535 CA PHE A 155 -11.746 -4.547 9.878 1.00 0.00 C +ATOM 2536 C PHE A 155 -11.427 -4.997 11.287 1.00 0.00 C +ATOM 2537 O PHE A 155 -11.794 -4.318 12.250 1.00 0.00 O +ATOM 2538 CB PHE A 155 -10.426 -4.320 9.177 1.00 0.00 C +ATOM 2539 CG PHE A 155 -10.553 -4.215 7.684 1.00 0.00 C +ATOM 2540 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 0.00 C +ATOM 2541 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 0.00 C +ATOM 2542 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 0.00 C +ATOM 2543 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 0.00 C +ATOM 2544 CZ PHE A 155 -10.716 -4.073 4.905 1.00 0.00 C +ATOM 2545 H PHE A 155 -12.064 -2.427 9.976 1.00 0.00 H +ATOM 2546 HA PHE A 155 -12.301 -5.336 9.368 1.00 0.00 H +ATOM 2547 1HB PHE A 155 -9.970 -3.403 9.548 1.00 0.00 H +ATOM 2548 2HB PHE A 155 -9.746 -5.140 9.407 1.00 0.00 H +ATOM 2549 HD1 PHE A 155 -11.687 -6.033 7.486 1.00 0.00 H +ATOM 2550 HD2 PHE A 155 -9.429 -2.382 7.555 1.00 0.00 H +ATOM 2551 HE1 PHE A 155 -11.842 -5.901 5.025 1.00 0.00 H +ATOM 2552 HE2 PHE A 155 -9.583 -2.250 5.084 1.00 0.00 H +ATOM 2553 HZ PHE A 155 -10.774 -4.017 3.819 1.00 0.00 H +ATOM 2554 N GLY A 156 -10.740 -6.149 11.378 1.00 50.00 N +ATOM 2555 CA GLY A 156 -10.257 -6.725 12.620 1.00 50.00 C +ATOM 2556 C GLY A 156 -9.447 -5.781 13.502 1.00 50.00 C +ATOM 2557 O GLY A 156 -9.929 -5.288 14.496 1.00 50.00 O +ATOM 2558 H GLY A 156 -10.559 -6.631 10.509 1.00 50.00 H +ATOM 2559 1HA GLY A 156 -11.102 -7.082 13.209 1.00 50.00 H +ATOM 2560 2HA GLY A 156 -9.631 -7.589 12.401 1.00 50.00 H +ATOM 2561 N MET A 157 -8.195 -5.541 13.140 1.00 0.00 N +ATOM 2562 CA MET A 157 -7.295 -4.794 13.991 1.00 0.00 C +ATOM 2563 C MET A 157 -7.308 -3.326 13.618 1.00 0.00 C +ATOM 2564 O MET A 157 -7.988 -2.956 12.701 1.00 0.00 O +ATOM 2565 CB MET A 157 -5.887 -5.395 13.950 1.00 0.00 C +ATOM 2566 CG MET A 157 -4.976 -5.076 12.755 1.00 0.00 C +ATOM 2567 SD MET A 157 -3.200 -5.180 13.227 1.00 0.00 S +ATOM 2568 CE MET A 157 -3.108 -6.856 13.896 1.00 0.00 C +ATOM 2569 H MET A 157 -7.860 -5.886 12.252 1.00 0.00 H +ATOM 2570 HA MET A 157 -7.664 -4.846 15.015 1.00 0.00 H +ATOM 2571 1HB MET A 157 -5.330 -5.078 14.831 1.00 0.00 H +ATOM 2572 2HB MET A 157 -5.955 -6.483 13.980 1.00 0.00 H +ATOM 2573 1HG MET A 157 -5.175 -5.780 11.948 1.00 0.00 H +ATOM 2574 2HG MET A 157 -5.192 -4.072 12.391 1.00 0.00 H +ATOM 2575 1HE MET A 157 -2.089 -7.062 14.223 1.00 0.00 H +ATOM 2576 2HE MET A 157 -3.788 -6.947 14.744 1.00 0.00 H +ATOM 2577 3HE MET A 157 -3.393 -7.572 13.124 1.00 0.00 H +ATOM 2578 N SER A 158 -6.545 -2.498 14.343 1.00 0.00 N +ATOM 2579 CA SER A 158 -6.371 -1.095 14.001 1.00 0.00 C +ATOM 2580 C SER A 158 -5.723 -0.875 12.627 1.00 0.00 C +ATOM 2581 O SER A 158 -4.885 -1.651 12.154 1.00 0.00 O +ATOM 2582 CB SER A 158 -5.529 -0.405 15.045 1.00 0.00 C +ATOM 2583 OG SER A 158 -6.104 -0.608 16.289 1.00 0.00 O +ATOM 2584 H SER A 158 -6.075 -2.868 15.157 1.00 0.00 H +ATOM 2585 HA SER A 158 -7.353 -0.621 13.973 1.00 0.00 H +ATOM 2586 1HB SER A 158 -4.516 -0.805 15.018 1.00 0.00 H +ATOM 2587 2HB SER A 158 -5.467 0.658 14.817 1.00 0.00 H +ATOM 2588 HG SER A 158 -6.889 -1.139 16.134 1.00 0.00 H +ATOM 2589 N MET A 159 -6.135 0.208 11.978 1.00 50.00 N +ATOM 2590 CA MET A 159 -5.628 0.524 10.669 1.00 50.00 C +ATOM 2591 C MET A 159 -4.496 1.515 10.854 1.00 50.00 C +ATOM 2592 O MET A 159 -4.519 2.367 11.750 1.00 50.00 O +ATOM 2593 CB MET A 159 -6.747 1.108 9.785 1.00 50.00 C +ATOM 2594 CG MET A 159 -7.821 0.094 9.403 1.00 50.00 C +ATOM 2595 SD MET A 159 -7.276 -1.103 8.187 1.00 50.00 S +ATOM 2596 CE MET A 159 -7.001 -2.502 9.295 1.00 50.00 C +ATOM 2597 H MET A 159 -6.814 0.823 12.404 1.00 50.00 H +ATOM 2598 HA MET A 159 -5.263 -0.394 10.209 1.00 50.00 H +ATOM 2599 1HB MET A 159 -7.229 1.934 10.307 1.00 50.00 H +ATOM 2600 2HB MET A 159 -6.314 1.508 8.867 1.00 50.00 H +ATOM 2601 1HG MET A 159 -8.140 -0.450 10.291 1.00 50.00 H +ATOM 2602 2HG MET A 159 -8.686 0.617 8.995 1.00 50.00 H +ATOM 2603 1HE MET A 159 -6.653 -3.360 8.719 1.00 50.00 H +ATOM 2604 2HE MET A 159 -6.250 -2.235 10.039 1.00 50.00 H +ATOM 2605 3HE MET A 159 -7.935 -2.757 9.797 1.00 50.00 H +ATOM 2606 N ALA A 160 -3.485 1.401 9.999 1.00 0.00 N +ATOM 2607 CA ALA A 160 -2.406 2.381 9.974 1.00 0.00 C +ATOM 2608 C ALA A 160 -2.959 3.535 9.142 1.00 0.00 C +ATOM 2609 O ALA A 160 -2.833 3.536 7.930 1.00 0.00 O +ATOM 2610 CB ALA A 160 -1.156 1.737 9.346 1.00 0.00 C +ATOM 2611 H ALA A 160 -3.459 0.624 9.354 1.00 0.00 H +ATOM 2612 HA ALA A 160 -2.189 2.672 11.002 1.00 0.00 H +ATOM 2613 1HB ALA A 160 -0.344 2.464 9.324 1.00 0.00 H +ATOM 2614 2HB ALA A 160 -0.854 0.874 9.940 1.00 0.00 H +ATOM 2615 3HB ALA A 160 -1.383 1.417 8.331 1.00 0.00 H +ATOM 2616 N ASN A 161 -3.614 4.493 9.809 1.00 50.00 N +ATOM 2617 CA ASN A 161 -4.286 5.599 9.124 1.00 50.00 C +ATOM 2618 C ASN A 161 -3.297 6.549 8.468 1.00 50.00 C +ATOM 2619 O ASN A 161 -3.558 7.059 7.379 1.00 50.00 O +ATOM 2620 CB ASN A 161 -5.192 6.407 10.040 1.00 50.00 C +ATOM 2621 CG ASN A 161 -6.348 5.587 10.588 1.00 50.00 C +ATOM 2622 OD1 ASN A 161 -6.556 5.549 11.794 1.00 50.00 O +ATOM 2623 ND2 ASN A 161 -7.100 4.933 9.716 1.00 50.00 N +ATOM 2624 H ASN A 161 -3.644 4.448 10.818 1.00 50.00 H +ATOM 2625 HA ASN A 161 -4.911 5.186 8.330 1.00 50.00 H +ATOM 2626 1HB ASN A 161 -4.610 6.798 10.876 1.00 50.00 H +ATOM 2627 2HB ASN A 161 -5.594 7.261 9.494 1.00 50.00 H +ATOM 2628 1HD2 ASN A 161 -7.871 4.381 10.035 1.00 50.00 H +ATOM 2629 2HD2 ASN A 161 -6.897 4.990 8.739 1.00 50.00 H +ATOM 2630 N GLY A 162 -2.137 6.713 9.104 1.00 50.00 N +ATOM 2631 CA GLY A 162 -1.098 7.569 8.572 1.00 50.00 C +ATOM 2632 C GLY A 162 -0.483 6.960 7.346 1.00 50.00 C +ATOM 2633 O GLY A 162 -0.307 7.640 6.369 1.00 50.00 O +ATOM 2634 H GLY A 162 -1.978 6.230 9.977 1.00 50.00 H +ATOM 2635 1HA GLY A 162 -1.519 8.545 8.331 1.00 50.00 H +ATOM 2636 2HA GLY A 162 -0.333 7.728 9.331 1.00 50.00 H +ATOM 2637 N ALA A 163 -0.142 5.670 7.407 1.00 0.00 N +ATOM 2638 CA ALA A 163 0.360 4.971 6.235 1.00 0.00 C +ATOM 2639 C ALA A 163 -0.648 5.068 5.086 1.00 0.00 C +ATOM 2640 O ALA A 163 -0.240 5.148 3.929 1.00 0.00 O +ATOM 2641 CB ALA A 163 0.673 3.503 6.522 1.00 0.00 C +ATOM 2642 H ALA A 163 -0.232 5.167 8.278 1.00 0.00 H +ATOM 2643 HA ALA A 163 1.285 5.456 5.922 1.00 0.00 H +ATOM 2644 1HB ALA A 163 1.044 3.026 5.615 1.00 0.00 H +ATOM 2645 2HB ALA A 163 1.431 3.438 7.302 1.00 0.00 H +ATOM 2646 3HB ALA A 163 -0.232 2.996 6.853 1.00 0.00 H +ATOM 2647 N HIS A 164 -1.954 4.972 5.388 1.00 50.00 N +ATOM 2648 CA HIS A 164 -2.962 4.972 4.315 1.00 50.00 C +ATOM 2649 C HIS A 164 -3.030 6.313 3.605 1.00 50.00 C +ATOM 2650 O HIS A 164 -3.048 6.360 2.365 1.00 50.00 O +ATOM 2651 CB HIS A 164 -4.338 4.562 4.811 1.00 50.00 C +ATOM 2652 CG HIS A 164 -4.472 3.093 5.043 1.00 50.00 C +ATOM 2653 ND1 HIS A 164 -5.403 2.558 5.903 1.00 50.00 N +ATOM 2654 CD2 HIS A 164 -3.773 2.046 4.552 1.00 50.00 C +ATOM 2655 CE1 HIS A 164 -5.309 1.243 5.893 1.00 50.00 C +ATOM 2656 NE2 HIS A 164 -4.313 0.903 5.097 1.00 50.00 N +ATOM 2657 H HIS A 164 -2.258 4.899 6.348 1.00 50.00 H +ATOM 2658 HA HIS A 164 -2.673 4.258 3.544 1.00 50.00 H +ATOM 2659 1HB HIS A 164 -4.557 5.079 5.746 1.00 50.00 H +ATOM 2660 2HB HIS A 164 -5.092 4.865 4.085 1.00 50.00 H +ATOM 2661 HD2 HIS A 164 -2.936 2.098 3.855 1.00 50.00 H +ATOM 2662 HE1 HIS A 164 -5.946 0.554 6.448 1.00 50.00 H +ATOM 2663 HE2 HIS A 164 -3.997 -0.039 4.915 1.00 50.00 H +ATOM 2664 N ILE A 165 -3.075 7.392 4.402 1.00 50.00 N +ATOM 2665 CA ILE A 165 -3.234 8.732 3.892 1.00 50.00 C +ATOM 2666 C ILE A 165 -1.969 9.076 3.096 1.00 50.00 C +ATOM 2667 O ILE A 165 -2.045 9.587 2.001 1.00 50.00 O +ATOM 2668 CB ILE A 165 -3.398 9.793 5.002 1.00 50.00 C +ATOM 2669 CG1 ILE A 165 -4.588 9.508 5.895 1.00 50.00 C +ATOM 2670 CG2 ILE A 165 -3.607 11.173 4.390 1.00 50.00 C +ATOM 2671 CD1 ILE A 165 -4.474 10.177 7.266 1.00 50.00 C +ATOM 2672 H ILE A 165 -2.993 7.251 5.399 1.00 50.00 H +ATOM 2673 HA ILE A 165 -4.134 8.764 3.279 1.00 50.00 H +ATOM 2674 HB ILE A 165 -2.502 9.812 5.622 1.00 50.00 H +ATOM 2675 1HG1 ILE A 165 -5.499 9.856 5.409 1.00 50.00 H +ATOM 2676 2HG1 ILE A 165 -4.686 8.432 6.038 1.00 50.00 H +ATOM 2677 1HG2 ILE A 165 -3.722 11.910 5.185 1.00 50.00 H +ATOM 2678 2HG2 ILE A 165 -2.746 11.433 3.776 1.00 50.00 H +ATOM 2679 3HG2 ILE A 165 -4.504 11.164 3.771 1.00 50.00 H +ATOM 2680 1HD1 ILE A 165 -5.355 9.937 7.862 1.00 50.00 H +ATOM 2681 2HD1 ILE A 165 -3.581 9.813 7.775 1.00 50.00 H +ATOM 2682 3HD1 ILE A 165 -4.406 11.256 7.139 1.00 50.00 H +ATOM 2683 N ALA A 166 -0.802 8.779 3.667 1.00 50.00 N +ATOM 2684 CA ALA A 166 0.456 9.081 3.024 1.00 50.00 C +ATOM 2685 C ALA A 166 0.659 8.323 1.668 1.00 50.00 C +ATOM 2686 O ALA A 166 1.104 8.904 0.678 1.00 50.00 O +ATOM 2687 CB ALA A 166 1.569 8.815 3.990 1.00 50.00 C +ATOM 2688 H ALA A 166 -0.797 8.331 4.572 1.00 50.00 H +ATOM 2689 HA ALA A 166 0.452 10.136 2.751 1.00 50.00 H +ATOM 2690 1HB ALA A 166 2.524 9.040 3.515 1.00 50.00 H +ATOM 2691 2HB ALA A 166 1.445 9.445 4.871 1.00 50.00 H +ATOM 2692 3HB ALA A 166 1.550 7.768 4.288 1.00 50.00 H +ATOM 2693 N GLY A 167 0.280 7.051 1.631 1.00 0.00 N +ATOM 2694 CA GLY A 167 0.435 6.201 0.463 1.00 0.00 C +ATOM 2695 C GLY A 167 -0.471 6.718 -0.639 1.00 0.00 C +ATOM 2696 O GLY A 167 -0.028 6.930 -1.761 1.00 0.00 O +ATOM 2697 H GLY A 167 -0.137 6.667 2.467 1.00 0.00 H +ATOM 2698 1HA GLY A 167 1.478 6.206 0.145 1.00 0.00 H +ATOM 2699 2HA GLY A 167 0.184 5.174 0.725 1.00 0.00 H +ATOM 2700 N LEU A 168 -1.735 6.988 -0.293 1.00 50.00 N +ATOM 2701 CA LEU A 168 -2.701 7.520 -1.267 1.00 50.00 C +ATOM 2702 C LEU A 168 -2.168 8.838 -1.858 1.00 50.00 C +ATOM 2703 O LEU A 168 -2.167 9.000 -3.064 1.00 50.00 O +ATOM 2704 CB LEU A 168 -4.070 7.765 -0.624 1.00 50.00 C +ATOM 2705 CG LEU A 168 -5.219 8.274 -1.514 1.00 50.00 C +ATOM 2706 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 50.00 C +ATOM 2707 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 50.00 C +ATOM 2708 H LEU A 168 -2.035 6.824 0.657 1.00 50.00 H +ATOM 2709 HA LEU A 168 -2.827 6.788 -2.064 1.00 50.00 H +ATOM 2710 1HB LEU A 168 -4.418 6.833 -0.182 1.00 50.00 H +ATOM 2711 2HB LEU A 168 -3.953 8.500 0.173 1.00 50.00 H +ATOM 2712 HG LEU A 168 -4.970 9.263 -1.900 1.00 50.00 H +ATOM 2713 1HD1 LEU A 168 -6.262 7.749 -3.322 1.00 50.00 H +ATOM 2714 2HD1 LEU A 168 -4.536 7.318 -3.317 1.00 50.00 H +ATOM 2715 3HD1 LEU A 168 -5.696 6.358 -2.369 1.00 50.00 H +ATOM 2716 1HD2 LEU A 168 -7.307 8.702 -1.267 1.00 50.00 H +ATOM 2717 2HD2 LEU A 168 -6.708 7.350 -0.276 1.00 50.00 H +ATOM 2718 3HD2 LEU A 168 -6.312 9.026 0.173 1.00 50.00 H +ATOM 2719 N ALA A 169 -1.717 9.749 -0.982 1.00 50.00 N +ATOM 2720 CA ALA A 169 -1.131 11.022 -1.377 1.00 50.00 C +ATOM 2721 C ALA A 169 0.033 10.863 -2.354 1.00 50.00 C +ATOM 2722 O ALA A 169 0.116 11.572 -3.331 1.00 50.00 O +ATOM 2723 CB ALA A 169 -0.661 11.793 -0.152 1.00 50.00 C +ATOM 2724 H ALA A 169 -1.794 9.527 0.000 1.00 50.00 H +ATOM 2725 HA ALA A 169 -1.898 11.604 -1.887 1.00 50.00 H +ATOM 2726 1HB ALA A 169 -0.225 12.742 -0.464 1.00 50.00 H +ATOM 2727 2HB ALA A 169 -1.509 11.982 0.506 1.00 50.00 H +ATOM 2728 3HB ALA A 169 0.088 11.208 0.380 1.00 50.00 H +ATOM 2729 N VAL A 170 0.955 9.951 -2.037 1.00 50.00 N +ATOM 2730 CA VAL A 170 2.119 9.696 -2.880 1.00 50.00 C +ATOM 2731 C VAL A 170 1.691 9.257 -4.301 1.00 50.00 C +ATOM 2732 O VAL A 170 2.221 9.741 -5.288 1.00 50.00 O +ATOM 2733 CB VAL A 170 3.017 8.622 -2.247 1.00 50.00 C +ATOM 2734 CG1 VAL A 170 3.960 8.002 -3.261 1.00 50.00 C +ATOM 2735 CG2 VAL A 170 3.820 9.214 -1.141 1.00 50.00 C +ATOM 2736 H VAL A 170 0.840 9.422 -1.184 1.00 50.00 H +ATOM 2737 HA VAL A 170 2.691 10.620 -2.969 1.00 50.00 H +ATOM 2738 HB VAL A 170 2.389 7.823 -1.852 1.00 50.00 H +ATOM 2739 1HG1 VAL A 170 4.576 7.248 -2.771 1.00 50.00 H +ATOM 2740 2HG1 VAL A 170 3.381 7.535 -4.058 1.00 50.00 H +ATOM 2741 3HG1 VAL A 170 4.601 8.776 -3.682 1.00 50.00 H +ATOM 2742 1HG2 VAL A 170 4.452 8.445 -0.699 1.00 50.00 H +ATOM 2743 2HG2 VAL A 170 4.445 10.016 -1.534 1.00 50.00 H +ATOM 2744 3HG2 VAL A 170 3.151 9.615 -0.380 1.00 50.00 H +ATOM 2745 N GLY A 171 0.730 8.339 -4.368 1.00 50.00 N +ATOM 2746 CA GLY A 171 0.199 7.825 -5.611 1.00 50.00 C +ATOM 2747 C GLY A 171 -0.396 8.933 -6.476 1.00 50.00 C +ATOM 2748 O GLY A 171 -0.097 9.063 -7.661 1.00 50.00 O +ATOM 2749 H GLY A 171 0.361 7.992 -3.494 1.00 50.00 H +ATOM 2750 1HA GLY A 171 0.991 7.321 -6.164 1.00 50.00 H +ATOM 2751 2HA GLY A 171 -0.568 7.081 -5.399 1.00 50.00 H +ATOM 2752 N LEU A 172 -1.284 9.718 -5.871 1.00 50.00 N +ATOM 2753 CA LEU A 172 -1.940 10.825 -6.557 1.00 50.00 C +ATOM 2754 C LEU A 172 -0.907 11.807 -7.105 1.00 50.00 C +ATOM 2755 O LEU A 172 -1.006 12.257 -8.239 1.00 50.00 O +ATOM 2756 CB LEU A 172 -2.913 11.543 -5.630 1.00 50.00 C +ATOM 2757 CG LEU A 172 -4.134 10.684 -5.230 1.00 50.00 C +ATOM 2758 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 50.00 C +ATOM 2759 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 50.00 C +ATOM 2760 H LEU A 172 -1.508 9.537 -4.903 1.00 50.00 H +ATOM 2761 HA LEU A 172 -2.501 10.425 -7.401 1.00 50.00 H +ATOM 2762 1HB LEU A 172 -2.380 11.837 -4.727 1.00 50.00 H +ATOM 2763 2HB LEU A 172 -3.266 12.445 -6.129 1.00 50.00 H +ATOM 2764 HG LEU A 172 -3.800 9.826 -4.646 1.00 50.00 H +ATOM 2765 1HD1 LEU A 172 -5.881 10.859 -3.985 1.00 50.00 H +ATOM 2766 2HD1 LEU A 172 -4.451 11.722 -3.371 1.00 50.00 H +ATOM 2767 3HD1 LEU A 172 -5.366 12.381 -4.748 1.00 50.00 H +ATOM 2768 1HD2 LEU A 172 -5.790 9.529 -5.965 1.00 50.00 H +ATOM 2769 2HD2 LEU A 172 -5.360 10.927 -6.978 1.00 50.00 H +ATOM 2770 3HD2 LEU A 172 -4.337 9.470 -6.991 1.00 50.00 H +ATOM 2771 N ALA A 173 0.105 12.102 -6.290 1.00 50.00 N +ATOM 2772 CA ALA A 173 1.120 13.098 -6.590 1.00 50.00 C +ATOM 2773 C ALA A 173 2.049 12.659 -7.718 1.00 50.00 C +ATOM 2774 O ALA A 173 2.448 13.462 -8.534 1.00 50.00 O +ATOM 2775 CB ALA A 173 1.927 13.427 -5.324 1.00 50.00 C +ATOM 2776 H ALA A 173 0.155 11.596 -5.418 1.00 50.00 H +ATOM 2777 HA ALA A 173 0.617 14.001 -6.935 1.00 50.00 H +ATOM 2778 1HB ALA A 173 2.685 14.174 -5.560 1.00 50.00 H +ATOM 2779 2HB ALA A 173 1.258 13.818 -4.557 1.00 50.00 H +ATOM 2780 3HB ALA A 173 2.411 12.524 -4.956 1.00 50.00 H +ATOM 2781 N MET A 174 2.450 11.384 -7.699 1.00 50.00 N +ATOM 2782 CA MET A 174 3.257 10.843 -8.771 1.00 50.00 C +ATOM 2783 C MET A 174 2.483 10.786 -10.093 1.00 50.00 C +ATOM 2784 O MET A 174 3.070 11.003 -11.185 1.00 50.00 O +ATOM 2785 CB MET A 174 3.817 9.479 -8.401 1.00 50.00 C +ATOM 2786 CG MET A 174 4.944 9.555 -7.368 1.00 50.00 C +ATOM 2787 SD MET A 174 5.480 7.886 -6.889 1.00 50.00 S +ATOM 2788 CE MET A 174 6.715 7.576 -8.183 1.00 50.00 C +ATOM 2789 H MET A 174 2.190 10.785 -6.929 1.00 50.00 H +ATOM 2790 HA MET A 174 4.093 11.519 -8.950 1.00 50.00 H +ATOM 2791 1HB MET A 174 3.020 8.855 -8.000 1.00 50.00 H +ATOM 2792 2HB MET A 174 4.199 8.987 -9.297 1.00 50.00 H +ATOM 2793 1HG MET A 174 5.787 10.103 -7.789 1.00 50.00 H +ATOM 2794 2HG MET A 174 4.594 10.093 -6.487 1.00 50.00 H +ATOM 2795 1HE MET A 174 7.150 6.586 -8.041 1.00 50.00 H +ATOM 2796 2HE MET A 174 6.237 7.627 -9.162 1.00 50.00 H +ATOM 2797 3HE MET A 174 7.501 8.329 -8.124 1.00 50.00 H +ATOM 2798 N ALA A 175 1.175 10.496 -9.994 1.00 50.00 N +ATOM 2799 CA ALA A 175 0.289 10.461 -11.160 1.00 50.00 C +ATOM 2800 C ALA A 175 0.208 11.844 -11.806 1.00 50.00 C +ATOM 2801 O ALA A 175 0.298 11.967 -13.006 1.00 50.00 O +ATOM 2802 CB ALA A 175 -1.103 9.939 -10.783 1.00 50.00 C +ATOM 2803 H ALA A 175 0.794 10.296 -9.080 1.00 50.00 H +ATOM 2804 HA ALA A 175 0.724 9.785 -11.896 1.00 50.00 H +ATOM 2805 1HB ALA A 175 -1.738 9.924 -11.669 1.00 50.00 H +ATOM 2806 2HB ALA A 175 -1.017 8.929 -10.382 1.00 50.00 H +ATOM 2807 3HB ALA A 175 -1.544 10.591 -10.031 1.00 50.00 H +ATOM 2808 N PHE A 176 0.047 12.864 -10.960 1.00 50.00 N +ATOM 2809 CA PHE A 176 0.036 14.276 -11.317 1.00 50.00 C +ATOM 2810 C PHE A 176 1.318 14.675 -12.027 1.00 50.00 C +ATOM 2811 O PHE A 176 1.289 15.249 -13.130 1.00 50.00 O +ATOM 2812 CB PHE A 176 -0.145 15.139 -10.051 1.00 50.00 C +ATOM 2813 CG PHE A 176 -0.205 16.590 -10.335 1.00 50.00 C +ATOM 2814 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 50.00 C +ATOM 2815 CD2 PHE A 176 0.954 17.344 -10.394 1.00 50.00 C +ATOM 2816 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 50.00 C +ATOM 2817 CE2 PHE A 176 0.912 18.687 -10.709 1.00 50.00 C +ATOM 2818 CZ PHE A 176 -0.297 19.280 -10.968 1.00 50.00 C +ATOM 2819 H PHE A 176 -0.076 12.600 -9.993 1.00 50.00 H +ATOM 2820 HA PHE A 176 -0.803 14.456 -11.990 1.00 50.00 H +ATOM 2821 1HB PHE A 176 -1.063 14.849 -9.542 1.00 50.00 H +ATOM 2822 2HB PHE A 176 0.681 14.956 -9.365 1.00 50.00 H +ATOM 2823 HD1 PHE A 176 -2.326 16.606 -10.559 1.00 50.00 H +ATOM 2824 HD2 PHE A 176 1.910 16.863 -10.187 1.00 50.00 H +ATOM 2825 HE1 PHE A 176 -2.419 19.012 -11.116 1.00 50.00 H +ATOM 2826 HE2 PHE A 176 1.828 19.276 -10.754 1.00 50.00 H +ATOM 2827 HZ PHE A 176 -0.339 20.339 -11.219 1.00 50.00 H +ATOM 2828 N VAL A 177 2.449 14.361 -11.392 1.00 50.00 N +ATOM 2829 CA VAL A 177 3.751 14.659 -11.950 1.00 50.00 C +ATOM 2830 C VAL A 177 3.918 13.947 -13.293 1.00 50.00 C +ATOM 2831 O VAL A 177 4.266 14.572 -14.237 1.00 50.00 O +ATOM 2832 CB VAL A 177 4.904 14.287 -10.964 1.00 50.00 C +ATOM 2833 CG1 VAL A 177 6.283 14.323 -11.664 1.00 50.00 C +ATOM 2834 CG2 VAL A 177 4.866 15.206 -9.722 1.00 50.00 C +ATOM 2835 H VAL A 177 2.392 13.901 -10.495 1.00 50.00 H +ATOM 2836 HA VAL A 177 3.807 15.731 -12.145 1.00 50.00 H +ATOM 2837 HB VAL A 177 4.780 13.251 -10.649 1.00 50.00 H +ATOM 2838 1HG1 VAL A 177 7.062 14.059 -10.948 1.00 50.00 H +ATOM 2839 2HG1 VAL A 177 6.291 13.610 -12.488 1.00 50.00 H +ATOM 2840 3HG1 VAL A 177 6.470 15.326 -12.048 1.00 50.00 H +ATOM 2841 1HG2 VAL A 177 5.674 14.935 -9.044 1.00 50.00 H +ATOM 2842 2HG2 VAL A 177 4.986 16.244 -10.033 1.00 50.00 H +ATOM 2843 3HG2 VAL A 177 3.910 15.089 -9.212 1.00 50.00 H +ATOM 2844 N ASP A 178 3.626 12.642 -13.351 1.00 0.00 N +ATOM 2845 CA ASP A 178 3.724 11.882 -14.603 1.00 0.00 C +ATOM 2846 C ASP A 178 2.777 12.360 -15.713 1.00 0.00 C +ATOM 2847 O ASP A 178 3.075 12.171 -16.888 1.00 0.00 O +ATOM 2848 CB ASP A 178 3.508 10.415 -14.390 1.00 0.00 C +ATOM 2849 CG ASP A 178 4.590 9.782 -13.555 1.00 0.00 C +ATOM 2850 OD1 ASP A 178 5.587 10.477 -13.265 1.00 0.00 O +ATOM 2851 OD2 ASP A 178 4.472 8.566 -13.203 1.00 0.00 O +ATOM 2852 H ASP A 178 3.330 12.168 -12.510 1.00 0.00 H +ATOM 2853 HA ASP A 178 4.726 12.017 -15.012 1.00 0.00 H +ATOM 2854 1HB ASP A 178 2.548 10.256 -13.898 1.00 0.00 H +ATOM 2855 2HB ASP A 178 3.469 9.909 -15.355 1.00 0.00 H +ATOM 2856 N SER A 179 1.678 13.015 -15.327 1.00 0.00 N +ATOM 2857 CA SER A 179 0.683 13.546 -16.256 1.00 0.00 C +ATOM 2858 C SER A 179 1.072 14.882 -16.866 1.00 0.00 C +ATOM 2859 O SER A 179 0.413 15.364 -17.811 1.00 0.00 O +ATOM 2860 CB SER A 179 -0.626 13.768 -15.528 1.00 0.00 C +ATOM 2861 OG SER A 179 -1.203 12.544 -15.166 1.00 0.00 O +ATOM 2862 H SER A 179 1.542 13.142 -14.334 1.00 0.00 H +ATOM 2863 HA SER A 179 0.528 12.816 -17.052 1.00 0.00 H +ATOM 2864 1HB SER A 179 -0.449 14.371 -14.638 1.00 0.00 H +ATOM 2865 2HB SER A 179 -1.309 14.323 -16.169 1.00 0.00 H +ATOM 2866 HG SER A 179 -0.603 11.865 -15.482 1.00 0.00 H +ATOM 2867 N LEU A 180 2.094 15.532 -16.302 1.00 0.00 N +ATOM 2868 CA LEU A 180 2.521 16.803 -16.854 1.00 0.00 C +ATOM 2869 C LEU A 180 3.243 16.561 -18.193 1.00 0.00 C +ATOM 2870 O LEU A 180 3.097 17.366 -19.140 1.00 0.00 O +ATOM 2871 CB LEU A 180 3.351 17.583 -15.842 1.00 0.00 C +ATOM 2872 CG LEU A 180 2.555 18.129 -14.659 1.00 0.00 C +ATOM 2873 CD1 LEU A 180 3.509 18.829 -13.712 1.00 0.00 C +ATOM 2874 CD2 LEU A 180 1.468 19.087 -15.103 1.00 0.00 C +ATOM 2875 H LEU A 180 2.577 15.158 -15.498 1.00 0.00 H +ATOM 2876 HA LEU A 180 1.636 17.389 -17.098 1.00 0.00 H +ATOM 2877 1HB LEU A 180 4.133 16.930 -15.457 1.00 0.00 H +ATOM 2878 2HB LEU A 180 3.825 18.421 -16.353 1.00 0.00 H +ATOM 2879 HG LEU A 180 2.084 17.303 -14.125 1.00 0.00 H +ATOM 2880 1HD1 LEU A 180 2.953 19.224 -12.862 1.00 0.00 H +ATOM 2881 2HD1 LEU A 180 4.256 18.119 -13.358 1.00 0.00 H +ATOM 2882 3HD1 LEU A 180 4.004 19.648 -14.233 1.00 0.00 H +ATOM 2883 1HD2 LEU A 180 0.925 19.451 -14.230 1.00 0.00 H +ATOM 2884 2HD2 LEU A 180 1.918 19.930 -15.628 1.00 0.00 H +ATOM 2885 3HD2 LEU A 180 0.778 18.570 -15.770 1.00 0.00 H +ATOM 2886 N ASN A 181 3.963 15.430 -18.274 1.00 0.00 N +ATOM 2887 CA ASN A 181 4.622 14.971 -19.503 1.00 0.00 C +ATOM 2888 C ASN A 181 3.604 14.497 -20.571 1.00 0.00 C +ATOM 2889 O ASN A 181 2.739 13.640 -20.287 1.00 0.00 O +ATOM 2890 CB ASN A 181 5.610 13.821 -19.220 1.00 0.00 C +ATOM 2891 CG ASN A 181 6.557 14.105 -18.047 1.00 0.00 C +ATOM 2892 OD1 ASN A 181 7.634 14.688 -18.216 1.00 0.00 O +ATOM 2893 ND2 ASN A 181 6.169 13.654 -16.856 1.00 0.00 N +ATOM 2894 H ASN A 181 4.047 14.875 -17.434 1.00 0.00 H +ATOM 2895 HA ASN A 181 5.184 15.805 -19.927 1.00 0.00 H +ATOM 2896 1HB ASN A 181 5.054 12.909 -19.000 1.00 0.00 H +ATOM 2897 2HB ASN A 181 6.211 13.631 -20.109 1.00 0.00 H +ATOM 2898 1HD2 ASN A 181 6.744 13.808 -16.051 1.00 0.00 H +ATOM 2899 2HD2 ASN A 181 5.304 13.162 -16.766 1.00 0.00 H +ATOM 2900 N ALA A 182 3.729 15.061 -21.787 1.00 0.00 N +ATOM 2901 CA ALA A 182 2.857 14.797 -22.944 1.00 0.00 C +ATOM 2902 C ALA A 182 1.371 14.797 -22.585 1.00 0.00 C +ATOM 2903 O ALA A 182 0.928 15.573 -21.737 1.00 0.00 O +ATOM 2904 OXT ALA A 182 0.622 14.035 -23.131 1.00 0.00 O +ATOM 2905 CB ALA A 182 3.241 13.491 -23.630 1.00 0.00 C +ATOM 2906 H ALA A 182 4.492 15.715 -21.885 1.00 0.00 H +ATOM 2907 HA ALA A 182 2.982 15.613 -23.655 1.00 0.00 H +ATOM 2908 1HB ALA A 182 2.582 13.320 -24.481 1.00 0.00 H +ATOM 2909 2HB ALA A 182 4.273 13.552 -23.977 1.00 0.00 H +ATOM 2910 3HB ALA A 182 3.144 12.668 -22.924 1.00 0.00 H TER HETATM 2912 THKN MEM B 183 15.000 0.000 0.000 1.00 0.00 X HETATM 2913 CNTR MEM B 183 0.000 0.000 0.000 1.00 0.00 X diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat index 2ac3272..37e12fa 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat @@ -2,7 +2,7 @@ ellipse_no z_loc h k a b r00 r01 r10 r11 1 -15 0 0 1 1 1 0 0 1 2 -10 0 0 1 1 1 0 0 1 3 -5 0 0 1 1 1 0 0 1 -4 0 -1.35975 -1.59845 13.767 11.3682 0.895604 0.444852 -0.444852 0.895604 -5 5 0.257356 -3.967 14.3698 11.7764 0.819257 0.573426 -0.573426 0.819257 +4 0 -1.36092 -1.59768 13.7677 11.3668 0.895807 0.444444 -0.444444 0.895807 +5 5 0.257674 -3.97139 14.3687 11.7755 -0.819715 -0.572771 0.572771 -0.819715 6 10 0 0 1 1 1 0 0 1 7 15 0 0 1 1 1 0 0 1 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pdb index 4ec0bf8..55fad25 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pdb @@ -1,1494 +1,1492 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 198 N BGLN A 27 6.082 -10.958 16.343 0.43 7.76 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 200 CA BGLN A 27 6.988 -10.016 16.987 0.43 7.64 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 202 CB BGLN A 27 6.882 -9.972 18.502 0.43 6.67 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 204 CG BGLN A 27 7.877 -8.940 18.985 0.43 6.35 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 206 CD BGLN A 27 7.397 -8.071 20.119 0.43 5.63 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 208 OE1BGLN A 27 6.471 -8.423 20.843 0.43 5.20 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 210 NE2BGLN A 27 8.074 -6.950 20.310 0.43 5.25 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 212 C BGLN A 27 8.433 -10.305 16.603 0.43 8.17 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 214 O BGLN A 27 9.174 -9.395 16.241 0.43 6.83 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 366 N BPHE A 45 19.154 0.200 7.430 0.54 13.38 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 368 CA BPHE A 45 18.386 0.953 6.445 0.54 13.71 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 370 CB BPHE A 45 19.320 1.573 5.393 0.54 12.75 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 372 CG BPHE A 45 20.295 2.556 5.961 0.54 11.96 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 374 CD1BPHE A 45 21.661 2.264 5.998 0.54 13.23 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 376 CE1BPHE A 45 22.580 3.197 6.475 0.54 15.19 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 378 CZ BPHE A 45 22.125 4.424 6.960 0.54 14.16 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 380 CE2BPHE A 45 20.763 4.713 6.950 0.54 11.23 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 382 CD2BPHE A 45 19.856 3.777 6.452 0.54 11.18 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 384 C BPHE A 45 17.253 0.218 5.760 0.54 12.87 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 386 O BPHE A 45 16.324 0.857 5.238 0.54 12.81 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 512 CG BMET A 59 -9.009 -9.979 5.778 0.52 26.84 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 514 SD BMET A 59 -9.937 -9.353 4.369 0.52 29.36 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 516 CE BMET A 59 -11.071 -10.728 4.220 0.52 22.56 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 741 CB BVAL A 86 10.446 5.065 -8.501 0.49 6.20 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 743 CG1BVAL A 86 11.901 4.886 -8.875 0.49 6.31 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 745 CG2BVAL A 86 9.539 5.222 -9.721 0.49 5.81 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 801 CB BLEU A 94 6.165 8.806 1.907 0.45 10.53 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 803 CG BLEU A 94 6.116 10.338 2.061 0.45 11.01 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 805 CD1BLEU A 94 4.836 10.889 1.434 0.45 10.97 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 807 CD2BLEU A 94 6.230 10.870 3.487 0.45 10.57 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1183 N BPHE A 142 -14.734 -0.601 -6.093 0.42 7.80 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1185 CA BPHE A 142 -14.171 -1.588 -5.178 0.42 7.36 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1187 CB BPHE A 142 -13.682 -2.820 -5.957 0.42 7.67 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1189 CG BPHE A 142 -13.240 -3.983 -5.089 0.42 8.19 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1191 CD1BPHE A 142 -13.175 -3.872 -3.708 0.42 7.81 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.932 0.42 7.89 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1195 CZ BPHE A 142 -12.395 -6.134 -3.536 0.42 7.97 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1197 CE2BPHE A 142 -12.427 -6.256 -4.913 0.42 7.76 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1199 CD2BPHE A 142 -12.849 -5.193 -5.678 0.42 8.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1201 C BPHE A 142 -13.045 -0.939 -4.385 0.42 7.58 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1203 O BPHE A 142 -12.958 -1.094 -3.145 0.42 7.63 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 198 N BGLN A 27 6.086 -10.967 16.345 0.43 7.76 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 200 CA BGLN A 27 6.991 -10.025 16.990 0.43 7.64 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 202 CB BGLN A 27 6.886 -9.983 18.505 0.43 6.67 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 204 CG BGLN A 27 7.880 -8.950 18.989 0.43 6.35 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 206 CD BGLN A 27 7.399 -8.083 20.124 0.43 5.63 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 208 OE1BGLN A 27 6.474 -8.435 20.848 0.43 5.20 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 210 NE2BGLN A 27 8.076 -6.961 20.316 0.43 5.25 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 212 C BGLN A 27 8.436 -10.313 16.606 0.43 8.17 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 214 O BGLN A 27 9.177 -9.402 16.245 0.43 6.83 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 366 N BPHE A 45 19.152 0.204 7.441 0.54 13.38 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 368 CA BPHE A 45 18.385 0.958 6.458 0.54 13.71 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 370 CB BPHE A 45 19.318 1.579 5.406 0.54 12.75 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 372 CG BPHE A 45 20.293 2.562 5.975 0.54 11.96 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 374 CD1BPHE A 45 21.658 2.270 6.011 0.54 13.23 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 376 CE1BPHE A 45 22.577 3.204 6.490 0.54 15.19 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 378 CZ BPHE A 45 22.123 4.430 6.975 0.54 14.16 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 380 CE2BPHE A 45 20.760 4.718 6.965 0.54 11.23 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 382 CD2BPHE A 45 19.853 3.783 6.466 0.54 11.18 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 384 C BPHE A 45 17.252 0.223 5.772 0.54 12.87 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 386 O BPHE A 45 16.322 0.862 5.250 0.54 12.81 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 512 CG BMET A 59 -9.006 -9.985 5.782 0.52 26.84 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 514 SD BMET A 59 -9.934 -9.358 4.373 0.52 29.36 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 516 CE BMET A 59 -11.069 -10.733 4.223 0.52 22.56 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 741 CB BVAL A 86 10.442 5.079 -8.484 0.49 6.20 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 743 CG1BVAL A 86 11.897 4.901 -8.859 0.49 6.31 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 745 CG2BVAL A 86 9.535 5.237 -9.705 0.49 5.81 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 801 CB BLEU A 94 6.160 8.810 1.927 0.45 10.53 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 803 CG BLEU A 94 6.111 10.342 2.082 0.45 11.01 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 805 CD1BLEU A 94 4.830 10.893 1.455 0.45 10.97 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 807 CD2BLEU A 94 6.224 10.872 3.509 0.45 10.57 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1183 N BPHE A 142 -14.735 -0.599 -6.080 0.42 7.80 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -14.172 -1.586 -5.167 0.42 7.36 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -13.682 -2.817 -5.947 0.42 7.67 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -13.240 -3.981 -5.080 0.42 8.19 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -13.175 -3.871 -3.698 0.42 7.81 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.923 0.42 7.89 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -12.394 -6.132 -3.528 0.42 7.97 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -12.426 -6.254 -4.905 0.42 7.76 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -12.849 -5.190 -5.670 0.42 8.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1201 C BPHE A 142 -13.047 -0.937 -4.373 0.42 7.58 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1203 O BPHE A 142 -12.959 -1.094 -3.134 0.42 7.63 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pml new file mode 100644 index 0000000..840c8f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml new file mode 100644 index 0000000..91d39de --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml new file mode 100644 index 0000000..1928ccd --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml new file mode 100644 index 0000000..fd096f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm_lig +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml new file mode 100644 index 0000000..948c84a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/output/output.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/output/output.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/output/output.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/prepare/output/output.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/relax/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/relax/input/input.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/relax/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/relax/input/input.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch index eb1d9b0..72af4af 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True XXXtagvXXX /prepare/cleaning True 1 \ No newline at end of file +python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch index a544bde..def4dc6 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch @@ -11,4 +11,8 @@ INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) echo $INDEX # launching rosetta -bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID \ No newline at end of file +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -database -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -score:weights /data/mp/f19_cart_1.5.wts -mp:lipids:composition DLPC -ddg:iterations 5 -ddg::dump_pdbs 0 -mp:setup:spanfiles /ddG/input/spanfiles/input_A.span -in:membrane -fa_max_dis 9 -missing_density_to_jump -has_pore 0 -ddg:legacy true -ddg:optimize_proline 1 -ddg:frag_nbrs 4 -ddg:bbnbrs 1 -ddg::cartesian -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/input_A.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/input_A.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/input_A.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/input_A.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/withHETATM.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/withHETATM.pdb index 4ec0bf8..55fad25 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/withHETATM.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/cleaning/withHETATM.pdb @@ -1,1494 +1,1492 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 198 N BGLN A 27 6.082 -10.958 16.343 0.43 7.76 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 200 CA BGLN A 27 6.988 -10.016 16.987 0.43 7.64 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 202 CB BGLN A 27 6.882 -9.972 18.502 0.43 6.67 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 204 CG BGLN A 27 7.877 -8.940 18.985 0.43 6.35 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 206 CD BGLN A 27 7.397 -8.071 20.119 0.43 5.63 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 208 OE1BGLN A 27 6.471 -8.423 20.843 0.43 5.20 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 210 NE2BGLN A 27 8.074 -6.950 20.310 0.43 5.25 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 212 C BGLN A 27 8.433 -10.305 16.603 0.43 8.17 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 214 O BGLN A 27 9.174 -9.395 16.241 0.43 6.83 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 366 N BPHE A 45 19.154 0.200 7.430 0.54 13.38 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 368 CA BPHE A 45 18.386 0.953 6.445 0.54 13.71 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 370 CB BPHE A 45 19.320 1.573 5.393 0.54 12.75 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 372 CG BPHE A 45 20.295 2.556 5.961 0.54 11.96 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 374 CD1BPHE A 45 21.661 2.264 5.998 0.54 13.23 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 376 CE1BPHE A 45 22.580 3.197 6.475 0.54 15.19 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 378 CZ BPHE A 45 22.125 4.424 6.960 0.54 14.16 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 380 CE2BPHE A 45 20.763 4.713 6.950 0.54 11.23 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 382 CD2BPHE A 45 19.856 3.777 6.452 0.54 11.18 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 384 C BPHE A 45 17.253 0.218 5.760 0.54 12.87 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 386 O BPHE A 45 16.324 0.857 5.238 0.54 12.81 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 512 CG BMET A 59 -9.009 -9.979 5.778 0.52 26.84 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 514 SD BMET A 59 -9.937 -9.353 4.369 0.52 29.36 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 516 CE BMET A 59 -11.071 -10.728 4.220 0.52 22.56 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 741 CB BVAL A 86 10.446 5.065 -8.501 0.49 6.20 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 743 CG1BVAL A 86 11.901 4.886 -8.875 0.49 6.31 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 745 CG2BVAL A 86 9.539 5.222 -9.721 0.49 5.81 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 801 CB BLEU A 94 6.165 8.806 1.907 0.45 10.53 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 803 CG BLEU A 94 6.116 10.338 2.061 0.45 11.01 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 805 CD1BLEU A 94 4.836 10.889 1.434 0.45 10.97 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 807 CD2BLEU A 94 6.230 10.870 3.487 0.45 10.57 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1183 N BPHE A 142 -14.734 -0.601 -6.093 0.42 7.80 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1185 CA BPHE A 142 -14.171 -1.588 -5.178 0.42 7.36 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1187 CB BPHE A 142 -13.682 -2.820 -5.957 0.42 7.67 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1189 CG BPHE A 142 -13.240 -3.983 -5.089 0.42 8.19 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1191 CD1BPHE A 142 -13.175 -3.872 -3.708 0.42 7.81 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.932 0.42 7.89 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1195 CZ BPHE A 142 -12.395 -6.134 -3.536 0.42 7.97 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1197 CE2BPHE A 142 -12.427 -6.256 -4.913 0.42 7.76 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1199 CD2BPHE A 142 -12.849 -5.193 -5.678 0.42 8.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1201 C BPHE A 142 -13.045 -0.939 -4.385 0.42 7.58 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1203 O BPHE A 142 -12.958 -1.094 -3.145 0.42 7.63 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 198 N BGLN A 27 6.086 -10.967 16.345 0.43 7.76 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 200 CA BGLN A 27 6.991 -10.025 16.990 0.43 7.64 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 202 CB BGLN A 27 6.886 -9.983 18.505 0.43 6.67 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 204 CG BGLN A 27 7.880 -8.950 18.989 0.43 6.35 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 206 CD BGLN A 27 7.399 -8.083 20.124 0.43 5.63 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 208 OE1BGLN A 27 6.474 -8.435 20.848 0.43 5.20 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 210 NE2BGLN A 27 8.076 -6.961 20.316 0.43 5.25 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 212 C BGLN A 27 8.436 -10.313 16.606 0.43 8.17 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 214 O BGLN A 27 9.177 -9.402 16.245 0.43 6.83 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 366 N BPHE A 45 19.152 0.204 7.441 0.54 13.38 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 368 CA BPHE A 45 18.385 0.958 6.458 0.54 13.71 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 370 CB BPHE A 45 19.318 1.579 5.406 0.54 12.75 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 372 CG BPHE A 45 20.293 2.562 5.975 0.54 11.96 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 374 CD1BPHE A 45 21.658 2.270 6.011 0.54 13.23 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 376 CE1BPHE A 45 22.577 3.204 6.490 0.54 15.19 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 378 CZ BPHE A 45 22.123 4.430 6.975 0.54 14.16 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 380 CE2BPHE A 45 20.760 4.718 6.965 0.54 11.23 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 382 CD2BPHE A 45 19.853 3.783 6.466 0.54 11.18 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 384 C BPHE A 45 17.252 0.223 5.772 0.54 12.87 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 386 O BPHE A 45 16.322 0.862 5.250 0.54 12.81 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 512 CG BMET A 59 -9.006 -9.985 5.782 0.52 26.84 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 514 SD BMET A 59 -9.934 -9.358 4.373 0.52 29.36 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 516 CE BMET A 59 -11.069 -10.733 4.223 0.52 22.56 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 741 CB BVAL A 86 10.442 5.079 -8.484 0.49 6.20 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 743 CG1BVAL A 86 11.897 4.901 -8.859 0.49 6.31 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 745 CG2BVAL A 86 9.535 5.237 -9.705 0.49 5.81 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 801 CB BLEU A 94 6.160 8.810 1.927 0.45 10.53 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 803 CG BLEU A 94 6.111 10.342 2.082 0.45 11.01 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 805 CD1BLEU A 94 4.830 10.893 1.455 0.45 10.97 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 807 CD2BLEU A 94 6.224 10.872 3.509 0.45 10.57 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1183 N BPHE A 142 -14.735 -0.599 -6.080 0.42 7.80 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -14.172 -1.586 -5.167 0.42 7.36 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -13.682 -2.817 -5.947 0.42 7.67 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -13.240 -3.981 -5.080 0.42 8.19 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -13.175 -3.871 -3.698 0.42 7.81 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.923 0.42 7.89 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -12.394 -6.132 -3.528 0.42 7.97 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -12.426 -6.254 -4.905 0.42 7.76 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -12.849 -5.190 -5.670 0.42 8.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1201 C BPHE A 142 -13.047 -0.937 -4.373 0.42 7.58 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1203 O BPHE A 142 -12.959 -1.094 -3.134 0.42 7.63 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/input/input.pdb index 097f785..6ad74a4 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/input/input.pdb @@ -1,1453 +1,1451 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb index 8020be2..161200b 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_0001.pdb @@ -1,2914 +1,2922 @@ +XXXX EXPDTA THEORETICAL MODEL -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 0.00 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 0.00 C -ATOM 3 C GLU A 1 0.854 -13.279 -17.825 1.00 0.00 C -ATOM 4 O GLU A 1 -0.274 -13.136 -18.313 1.00 0.00 O -ATOM 5 CB GLU A 1 3.109 -14.400 -17.880 1.00 0.00 C -ATOM 6 CG GLU A 1 3.633 -14.503 -16.462 1.00 0.00 C -ATOM 7 CD GLU A 1 5.128 -14.403 -16.480 1.00 0.00 C -ATOM 8 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 0.00 O -ATOM 9 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 0.00 O -ATOM 10 1H GLU A 1 1.815 -16.076 -19.443 1.00 0.00 H -ATOM 11 2H GLU A 1 0.327 -15.405 -19.422 1.00 0.00 H -ATOM 12 3H GLU A 1 1.580 -14.592 -20.083 1.00 0.00 H -ATOM 13 HA GLU A 1 1.257 -15.276 -17.246 1.00 0.00 H -ATOM 14 1HB GLU A 1 3.636 -15.142 -18.479 1.00 0.00 H -ATOM 15 2HB GLU A 1 3.384 -13.416 -18.261 1.00 0.00 H -ATOM 16 1HG GLU A 1 3.200 -13.699 -15.867 1.00 0.00 H -ATOM 17 2HG GLU A 1 3.308 -15.450 -16.034 1.00 0.00 H -ATOM 18 N ARG A 2 1.495 -12.332 -17.123 1.00 0.00 N -ATOM 19 CA ARG A 2 0.854 -11.145 -16.539 1.00 0.00 C -ATOM 20 C ARG A 2 1.895 -10.400 -15.671 1.00 0.00 C -ATOM 21 O ARG A 2 2.337 -9.311 -16.037 1.00 0.00 O -ATOM 22 CB ARG A 2 -0.420 -11.545 -15.737 1.00 0.00 C -ATOM 23 CG ARG A 2 -0.878 -10.620 -14.603 1.00 0.00 C -ATOM 24 CD ARG A 2 -2.088 -9.757 -14.944 1.00 0.00 C -ATOM 25 NE ARG A 2 -2.036 -8.419 -14.321 1.00 0.00 N -ATOM 26 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 0.00 C -ATOM 27 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 0.00 N -ATOM 28 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 0.00 N -ATOM 29 H ARG A 2 2.489 -12.465 -17.000 1.00 0.00 H -ATOM 30 HA ARG A 2 0.558 -10.478 -17.349 1.00 0.00 H -ATOM 31 1HB ARG A 2 -1.267 -11.626 -16.417 1.00 0.00 H -ATOM 32 2HB ARG A 2 -0.271 -12.524 -15.282 1.00 0.00 H -ATOM 33 1HG ARG A 2 -1.149 -11.218 -13.733 1.00 0.00 H -ATOM 34 2HG ARG A 2 -0.067 -9.940 -14.338 1.00 0.00 H -ATOM 35 1HD ARG A 2 -2.143 -9.617 -16.023 1.00 0.00 H -ATOM 36 2HD ARG A 2 -2.995 -10.249 -14.596 1.00 0.00 H -ATOM 37 HE ARG A 2 -1.333 -8.258 -13.612 1.00 0.00 H -ATOM 38 1HH1 ARG A 2 -3.947 -8.468 -16.012 1.00 0.00 H -ATOM 39 2HH1 ARG A 2 -4.443 -6.806 -15.780 1.00 0.00 H -ATOM 40 1HH2 ARG A 2 -2.023 -6.102 -13.342 1.00 0.00 H -ATOM 41 2HH2 ARG A 2 -3.362 -5.485 -14.283 1.00 0.00 H -ATOM 42 N ALA A 3 2.282 -11.010 -14.540 1.00 50.00 N -ATOM 43 CA ALA A 3 3.239 -10.436 -13.577 1.00 50.00 C -ATOM 44 C ALA A 3 4.708 -10.402 -14.089 1.00 50.00 C -ATOM 45 O ALA A 3 5.343 -11.461 -14.221 1.00 50.00 O -ATOM 46 CB ALA A 3 3.184 -11.216 -12.239 1.00 50.00 C -ATOM 47 H ALA A 3 1.882 -11.919 -14.354 1.00 50.00 H -ATOM 48 HA ALA A 3 2.956 -9.399 -13.395 1.00 50.00 H -ATOM 49 1HB ALA A 3 3.895 -10.783 -11.536 1.00 50.00 H -ATOM 50 2HB ALA A 3 2.178 -11.154 -11.823 1.00 50.00 H -ATOM 51 3HB ALA A 3 3.439 -12.260 -12.416 1.00 50.00 H -ATOM 52 N GLY A 4 5.234 -9.192 -14.343 1.00 50.00 N -ATOM 53 CA GLY A 4 6.658 -8.975 -14.509 1.00 50.00 C -ATOM 54 C GLY A 4 7.450 -9.319 -13.242 1.00 50.00 C -ATOM 55 O GLY A 4 6.888 -9.621 -12.180 1.00 50.00 O -ATOM 56 H GLY A 4 4.604 -8.406 -14.420 1.00 50.00 H -ATOM 57 1HA GLY A 4 7.025 -9.583 -15.336 1.00 50.00 H -ATOM 58 2HA GLY A 4 6.839 -7.933 -14.772 1.00 50.00 H -ATOM 59 N PRO A 5 8.798 -9.230 -13.293 1.00 50.00 N -ATOM 60 CA PRO A 5 9.635 -9.656 -12.168 1.00 50.00 C -ATOM 61 C PRO A 5 9.434 -8.867 -10.899 1.00 50.00 C -ATOM 62 O PRO A 5 9.600 -9.424 -9.827 1.00 50.00 O -ATOM 63 CB PRO A 5 11.079 -9.462 -12.705 1.00 50.00 C -ATOM 64 CG PRO A 5 10.926 -8.506 -13.840 1.00 50.00 C -ATOM 65 CD PRO A 5 9.570 -8.709 -14.432 1.00 50.00 C -ATOM 66 HA PRO A 5 9.437 -10.716 -11.951 1.00 50.00 H -ATOM 67 1HB PRO A 5 11.728 -9.074 -11.906 1.00 50.00 H -ATOM 68 2HB PRO A 5 11.497 -10.430 -13.018 1.00 50.00 H -ATOM 69 1HG PRO A 5 11.048 -7.472 -13.485 1.00 50.00 H -ATOM 70 2HG PRO A 5 11.711 -8.679 -14.591 1.00 50.00 H -ATOM 71 1HD PRO A 5 9.177 -7.745 -14.788 1.00 50.00 H -ATOM 72 2HD PRO A 5 9.635 -9.431 -15.259 1.00 50.00 H -ATOM 73 N VAL A 6 9.147 -7.566 -10.996 1.00 50.00 N -ATOM 74 CA VAL A 6 9.000 -6.787 -9.778 1.00 50.00 C -ATOM 75 C VAL A 6 7.693 -7.185 -9.108 1.00 50.00 C -ATOM 76 O VAL A 6 7.656 -7.450 -7.906 1.00 50.00 O -ATOM 77 CB VAL A 6 9.023 -5.276 -10.042 1.00 50.00 C -ATOM 78 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 50.00 C -ATOM 79 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 50.00 C -ATOM 80 H VAL A 6 9.030 -7.109 -11.889 1.00 50.00 H -ATOM 81 HA VAL A 6 9.834 -7.020 -9.115 1.00 50.00 H -ATOM 82 HB VAL A 6 8.235 -5.029 -10.753 1.00 50.00 H -ATOM 83 1HG1 VAL A 6 8.735 -3.431 -8.974 1.00 50.00 H -ATOM 84 2HG1 VAL A 6 7.725 -4.779 -8.401 1.00 50.00 H -ATOM 85 3HG1 VAL A 6 9.461 -4.736 -8.007 1.00 50.00 H -ATOM 86 1HG2 VAL A 6 10.380 -3.788 -10.805 1.00 50.00 H -ATOM 87 2HG2 VAL A 6 11.167 -5.112 -9.913 1.00 50.00 H -ATOM 88 3HG2 VAL A 6 10.548 -5.391 -11.559 1.00 50.00 H -ATOM 89 N THR A 7 6.616 -7.255 -9.901 1.00 50.00 N -ATOM 90 CA THR A 7 5.333 -7.748 -9.375 1.00 50.00 C -ATOM 91 C THR A 7 5.482 -9.084 -8.637 1.00 50.00 C -ATOM 92 O THR A 7 4.996 -9.259 -7.532 1.00 50.00 O -ATOM 93 CB THR A 7 4.293 -7.879 -10.473 1.00 50.00 C -ATOM 94 OG1 THR A 7 4.102 -6.580 -11.086 1.00 50.00 O -ATOM 95 CG2 THR A 7 2.999 -8.375 -9.830 1.00 50.00 C -ATOM 96 H THR A 7 6.674 -6.970 -10.868 1.00 50.00 H -ATOM 97 HA THR A 7 4.962 -7.032 -8.641 1.00 50.00 H -ATOM 98 HB THR A 7 4.644 -8.587 -11.224 1.00 50.00 H -ATOM 99 HG1 THR A 7 4.674 -5.938 -10.659 1.00 50.00 H -ATOM 100 1HG2 THR A 7 2.230 -8.480 -10.595 1.00 50.00 H -ATOM 101 2HG2 THR A 7 3.175 -9.341 -9.357 1.00 50.00 H -ATOM 102 3HG2 THR A 7 2.668 -7.658 -9.079 1.00 50.00 H -ATOM 103 N TRP A 8 6.247 -9.988 -9.257 1.00 50.00 N -ATOM 104 CA TRP A 8 6.453 -11.345 -8.778 1.00 50.00 C -ATOM 105 C TRP A 8 7.314 -11.407 -7.523 1.00 50.00 C -ATOM 106 O TRP A 8 6.990 -12.099 -6.570 1.00 50.00 O -ATOM 107 CB TRP A 8 7.103 -12.106 -9.910 1.00 50.00 C -ATOM 108 CG TRP A 8 7.532 -13.463 -9.667 1.00 50.00 C -ATOM 109 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 50.00 C -ATOM 110 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 50.00 C -ATOM 111 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 50.00 N -ATOM 112 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 50.00 C -ATOM 113 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 50.00 C -ATOM 114 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 50.00 C -ATOM 115 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 50.00 C -ATOM 116 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 50.00 C -ATOM 117 H TRP A 8 6.702 -9.693 -10.109 1.00 50.00 H -ATOM 118 HA TRP A 8 5.482 -11.777 -8.535 1.00 50.00 H -ATOM 119 1HB TRP A 8 6.415 -12.160 -10.754 1.00 50.00 H -ATOM 120 2HB TRP A 8 7.991 -11.571 -10.245 1.00 50.00 H -ATOM 121 HD1 TRP A 8 9.626 -13.375 -10.247 1.00 50.00 H -ATOM 122 HE1 TRP A 8 9.623 -15.885 -9.757 1.00 50.00 H -ATOM 123 HE3 TRP A 8 4.725 -13.857 -8.892 1.00 50.00 H -ATOM 124 HZ2 TRP A 8 7.781 -17.846 -8.854 1.00 50.00 H -ATOM 125 HZ3 TRP A 8 3.923 -16.063 -8.141 1.00 50.00 H -ATOM 126 HH2 TRP A 8 5.430 -18.063 -8.175 1.00 50.00 H -ATOM 127 N VAL A 9 8.447 -10.714 -7.548 1.00 50.00 N -ATOM 128 CA VAL A 9 9.376 -10.819 -6.462 1.00 50.00 C -ATOM 129 C VAL A 9 8.763 -10.253 -5.174 1.00 50.00 C -ATOM 130 O VAL A 9 8.949 -10.802 -4.133 1.00 50.00 O -ATOM 131 CB VAL A 9 10.764 -10.235 -6.799 1.00 50.00 C -ATOM 132 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 50.00 C -ATOM 133 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 50.00 C -ATOM 134 H VAL A 9 8.667 -10.109 -8.326 1.00 50.00 H -ATOM 135 HA VAL A 9 9.514 -11.875 -6.226 1.00 50.00 H -ATOM 136 HB VAL A 9 10.633 -9.263 -7.275 1.00 50.00 H -ATOM 137 1HG1 VAL A 9 12.568 -9.629 -5.801 1.00 50.00 H -ATOM 138 2HG1 VAL A 9 11.080 -9.355 -4.865 1.00 50.00 H -ATOM 139 3HG1 VAL A 9 11.731 -11.003 -5.041 1.00 50.00 H -ATOM 140 1HG2 VAL A 9 12.463 -10.758 -7.974 1.00 50.00 H -ATOM 141 2HG2 VAL A 9 11.603 -12.141 -7.256 1.00 50.00 H -ATOM 142 3HG2 VAL A 9 10.904 -11.283 -8.650 1.00 50.00 H -ATOM 143 N MET A 10 7.988 -9.175 -5.278 1.00 0.00 N -ATOM 144 CA MET A 10 7.333 -8.639 -4.103 1.00 0.00 C -ATOM 145 C MET A 10 6.336 -9.668 -3.486 1.00 0.00 C -ATOM 146 O MET A 10 6.190 -9.728 -2.248 1.00 0.00 O -ATOM 147 CB MET A 10 6.600 -7.375 -4.509 1.00 0.00 C -ATOM 148 CG MET A 10 5.615 -6.846 -3.470 1.00 0.00 C -ATOM 149 SD MET A 10 6.452 -6.280 -1.975 1.00 0.00 S -ATOM 150 CE MET A 10 7.260 -4.802 -2.550 1.00 0.00 C -ATOM 151 H MET A 10 7.848 -8.721 -6.169 1.00 0.00 H -ATOM 152 HA MET A 10 8.095 -8.402 -3.360 1.00 0.00 H -ATOM 153 1HB MET A 10 7.322 -6.586 -4.712 1.00 0.00 H -ATOM 154 2HB MET A 10 6.045 -7.556 -5.430 1.00 0.00 H -ATOM 155 1HG MET A 10 5.051 -6.016 -3.893 1.00 0.00 H -ATOM 156 2HG MET A 10 4.911 -7.634 -3.202 1.00 0.00 H -ATOM 157 1HE MET A 10 7.815 -4.348 -1.729 1.00 0.00 H -ATOM 158 2HE MET A 10 7.948 -5.054 -3.359 1.00 0.00 H -ATOM 159 3HE MET A 10 6.512 -4.097 -2.916 1.00 0.00 H -ATOM 160 N MET A 11 5.594 -10.390 -4.355 1.00 50.00 N -ATOM 161 CA MET A 11 4.613 -11.432 -3.942 1.00 50.00 C -ATOM 162 C MET A 11 5.331 -12.564 -3.211 1.00 50.00 C -ATOM 163 O MET A 11 4.982 -12.919 -2.094 1.00 50.00 O -ATOM 164 CB MET A 11 3.844 -11.979 -5.154 1.00 50.00 C -ATOM 165 CG MET A 11 2.834 -10.972 -5.684 1.00 50.00 C -ATOM 166 SD MET A 11 1.986 -11.347 -7.252 1.00 50.00 S -ATOM 167 CE MET A 11 0.570 -12.262 -6.627 1.00 50.00 C -ATOM 168 H MET A 11 5.725 -10.199 -5.338 1.00 50.00 H -ATOM 169 HA MET A 11 3.896 -10.980 -3.257 1.00 50.00 H -ATOM 170 1HB MET A 11 4.547 -12.233 -5.946 1.00 50.00 H -ATOM 171 2HB MET A 11 3.324 -12.895 -4.872 1.00 50.00 H -ATOM 172 1HG MET A 11 2.041 -10.832 -4.950 1.00 50.00 H -ATOM 173 2HG MET A 11 3.326 -10.012 -5.842 1.00 50.00 H -ATOM 174 1HE MET A 11 -0.061 -12.571 -7.461 1.00 50.00 H -ATOM 175 2HE MET A 11 0.916 -13.144 -6.087 1.00 50.00 H -ATOM 176 3HE MET A 11 -0.005 -11.627 -5.953 1.00 50.00 H -ATOM 177 N ILE A 12 6.375 -13.087 -3.848 1.00 50.00 N -ATOM 178 CA ILE A 12 7.221 -14.091 -3.250 1.00 50.00 C -ATOM 179 C ILE A 12 7.729 -13.627 -1.872 1.00 50.00 C -ATOM 180 O ILE A 12 7.610 -14.326 -0.866 1.00 50.00 O -ATOM 181 CB ILE A 12 8.415 -14.378 -4.182 1.00 50.00 C -ATOM 182 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 50.00 C -ATOM 183 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 50.00 C -ATOM 184 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 50.00 C -ATOM 185 H ILE A 12 6.578 -12.766 -4.784 1.00 50.00 H -ATOM 186 HA ILE A 12 6.639 -15.003 -3.124 1.00 50.00 H -ATOM 187 HB ILE A 12 8.793 -13.440 -4.588 1.00 50.00 H -ATOM 188 1HG1 ILE A 12 7.688 -16.215 -4.988 1.00 50.00 H -ATOM 189 2HG1 ILE A 12 7.052 -14.779 -5.775 1.00 50.00 H -ATOM 190 1HG2 ILE A 12 10.373 -15.263 -4.122 1.00 50.00 H -ATOM 191 2HG2 ILE A 12 9.890 -14.438 -2.621 1.00 50.00 H -ATOM 192 3HG2 ILE A 12 9.188 -16.021 -3.031 1.00 50.00 H -ATOM 193 1HD1 ILE A 12 8.621 -15.964 -7.250 1.00 50.00 H -ATOM 194 2HD1 ILE A 12 9.259 -14.358 -6.822 1.00 50.00 H -ATOM 195 3HD1 ILE A 12 9.904 -15.814 -6.027 1.00 50.00 H -ATOM 196 N ALA A 13 8.294 -12.421 -1.842 1.00 50.00 N -ATOM 197 CA ALA A 13 8.860 -11.849 -0.642 1.00 50.00 C -ATOM 198 C ALA A 13 7.838 -11.730 0.486 1.00 50.00 C -ATOM 199 O ALA A 13 8.143 -12.075 1.604 1.00 50.00 O -ATOM 200 CB ALA A 13 9.471 -10.514 -0.928 1.00 50.00 C -ATOM 201 H ALA A 13 8.323 -11.891 -2.701 1.00 50.00 H -ATOM 202 HA ALA A 13 9.640 -12.520 -0.282 1.00 50.00 H -ATOM 203 1HB ALA A 13 9.891 -10.102 -0.010 1.00 50.00 H -ATOM 204 2HB ALA A 13 10.261 -10.627 -1.670 1.00 50.00 H -ATOM 205 3HB ALA A 13 8.707 -9.840 -1.312 1.00 50.00 H -ATOM 206 N CYS A 14 6.622 -11.261 0.172 1.00 0.00 N -ATOM 207 CA CYS A 14 5.558 -11.156 1.177 1.00 0.00 C -ATOM 208 C CYS A 14 5.105 -12.542 1.729 1.00 0.00 C -ATOM 209 O CYS A 14 4.805 -12.697 2.925 1.00 0.00 O -ATOM 210 CB CYS A 14 4.341 -10.402 0.590 1.00 0.00 C -ATOM 211 SG CYS A 14 4.621 -8.636 0.447 1.00 0.00 S -ATOM 212 H CYS A 14 6.432 -10.973 -0.777 1.00 0.00 H -ATOM 213 HA CYS A 14 5.941 -10.594 2.029 1.00 0.00 H -ATOM 214 1HB CYS A 14 4.108 -10.800 -0.398 1.00 0.00 H -ATOM 215 2HB CYS A 14 3.470 -10.568 1.224 1.00 0.00 H -ATOM 216 HG CYS A 14 3.428 -8.347 -0.064 1.00 0.00 H -ATOM 217 N VAL A 15 5.076 -13.539 0.842 1.00 50.00 N -ATOM 218 CA VAL A 15 4.679 -14.861 1.237 1.00 50.00 C -ATOM 219 C VAL A 15 5.733 -15.491 2.148 1.00 50.00 C -ATOM 220 O VAL A 15 5.409 -16.033 3.218 1.00 50.00 O -ATOM 221 CB VAL A 15 4.373 -15.728 0.034 1.00 50.00 C -ATOM 222 CG1 VAL A 15 4.132 -17.142 0.511 1.00 50.00 C -ATOM 223 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 50.00 C -ATOM 224 H VAL A 15 5.335 -13.370 -0.120 1.00 50.00 H -ATOM 225 HA VAL A 15 3.774 -14.785 1.841 1.00 50.00 H -ATOM 226 HB VAL A 15 5.233 -15.721 -0.635 1.00 50.00 H -ATOM 227 1HG1 VAL A 15 3.910 -17.782 -0.344 1.00 50.00 H -ATOM 228 2HG1 VAL A 15 5.023 -17.512 1.018 1.00 50.00 H -ATOM 229 3HG1 VAL A 15 3.289 -17.154 1.201 1.00 50.00 H -ATOM 230 1HG2 VAL A 15 2.909 -15.785 -1.569 1.00 50.00 H -ATOM 231 2HG2 VAL A 15 2.276 -15.164 -0.026 1.00 50.00 H -ATOM 232 3HG2 VAL A 15 3.334 -14.144 -1.030 1.00 50.00 H -ATOM 233 N VAL A 16 6.996 -15.384 1.738 1.00 50.00 N -ATOM 234 CA VAL A 16 8.106 -15.901 2.555 1.00 50.00 C -ATOM 235 C VAL A 16 8.107 -15.251 3.959 1.00 50.00 C -ATOM 236 O VAL A 16 8.268 -15.933 4.956 1.00 50.00 O -ATOM 237 CB VAL A 16 9.464 -15.715 1.842 1.00 50.00 C -ATOM 238 CG1 VAL A 16 10.612 -16.003 2.776 1.00 50.00 C -ATOM 239 CG2 VAL A 16 9.570 -16.660 0.666 1.00 50.00 C -ATOM 240 H VAL A 16 7.201 -14.942 0.853 1.00 50.00 H -ATOM 241 HA VAL A 16 7.949 -16.968 2.716 1.00 50.00 H -ATOM 242 HB VAL A 16 9.540 -14.687 1.488 1.00 50.00 H -ATOM 243 1HG1 VAL A 16 11.555 -15.864 2.247 1.00 50.00 H -ATOM 244 2HG1 VAL A 16 10.569 -15.322 3.626 1.00 50.00 H -ATOM 245 3HG1 VAL A 16 10.544 -17.032 3.130 1.00 50.00 H -ATOM 246 1HG2 VAL A 16 10.531 -16.519 0.171 1.00 50.00 H -ATOM 247 2HG2 VAL A 16 9.490 -17.689 1.018 1.00 50.00 H -ATOM 248 3HG2 VAL A 16 8.765 -16.454 -0.040 1.00 50.00 H -ATOM 249 N VAL A 17 7.944 -13.925 4.011 1.00 0.00 N -ATOM 250 CA VAL A 17 7.911 -13.241 5.273 1.00 0.00 C -ATOM 251 C VAL A 17 6.704 -13.708 6.134 1.00 0.00 C -ATOM 252 O VAL A 17 6.841 -13.932 7.317 1.00 0.00 O -ATOM 253 CB VAL A 17 7.926 -11.727 5.127 1.00 0.00 C -ATOM 254 CG1 VAL A 17 7.747 -11.059 6.516 1.00 0.00 C -ATOM 255 CG2 VAL A 17 9.239 -11.273 4.500 1.00 0.00 C -ATOM 256 H VAL A 17 7.842 -13.391 3.159 1.00 0.00 H -ATOM 257 HA VAL A 17 8.797 -13.523 5.843 1.00 0.00 H -ATOM 258 HB VAL A 17 7.096 -11.425 4.488 1.00 0.00 H -ATOM 259 1HG1 VAL A 17 7.759 -9.975 6.403 1.00 0.00 H -ATOM 260 2HG1 VAL A 17 6.795 -11.368 6.948 1.00 0.00 H -ATOM 261 3HG1 VAL A 17 8.561 -11.363 7.173 1.00 0.00 H -ATOM 262 1HG2 VAL A 17 9.238 -10.188 4.400 1.00 0.00 H -ATOM 263 2HG2 VAL A 17 10.071 -11.578 5.135 1.00 0.00 H -ATOM 264 3HG2 VAL A 17 9.349 -11.728 3.515 1.00 0.00 H -ATOM 265 N PHE A 18 5.547 -13.895 5.494 1.00 50.00 N -ATOM 266 CA PHE A 18 4.350 -14.342 6.184 1.00 50.00 C -ATOM 267 C PHE A 18 4.554 -15.716 6.824 1.00 50.00 C -ATOM 268 O PHE A 18 4.102 -15.981 7.941 1.00 50.00 O -ATOM 269 CB PHE A 18 3.179 -14.357 5.189 1.00 50.00 C -ATOM 270 CG PHE A 18 1.832 -14.538 5.846 1.00 50.00 C -ATOM 271 CD1 PHE A 18 1.288 -13.523 6.641 1.00 50.00 C -ATOM 272 CD2 PHE A 18 1.131 -15.678 5.673 1.00 50.00 C -ATOM 273 CE1 PHE A 18 0.046 -13.679 7.239 1.00 50.00 C -ATOM 274 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 50.00 C -ATOM 275 CZ PHE A 18 -0.654 -14.852 7.073 1.00 50.00 C -ATOM 276 H PHE A 18 5.505 -13.720 4.500 1.00 50.00 H -ATOM 277 HA PHE A 18 4.132 -13.640 6.990 1.00 50.00 H -ATOM 278 1HB PHE A 18 3.165 -13.422 4.630 1.00 50.00 H -ATOM 279 2HB PHE A 18 3.322 -15.164 4.472 1.00 50.00 H -ATOM 280 HD1 PHE A 18 1.852 -12.601 6.787 1.00 50.00 H -ATOM 281 HD2 PHE A 18 1.551 -16.467 5.048 1.00 50.00 H -ATOM 282 HE1 PHE A 18 -0.374 -12.872 7.839 1.00 50.00 H -ATOM 283 HE2 PHE A 18 -0.669 -16.782 6.121 1.00 50.00 H -ATOM 284 HZ PHE A 18 -1.617 -14.988 7.564 1.00 50.00 H -ATOM 285 N ILE A 19 5.212 -16.618 6.086 1.00 50.00 N -ATOM 286 CA ILE A 19 5.544 -17.929 6.571 1.00 50.00 C -ATOM 287 C ILE A 19 6.464 -17.848 7.802 1.00 50.00 C -ATOM 288 O ILE A 19 6.225 -18.507 8.841 1.00 50.00 O -ATOM 289 CB ILE A 19 6.217 -18.758 5.476 1.00 50.00 C -ATOM 290 CG1 ILE A 19 5.181 -19.136 4.418 1.00 50.00 C -ATOM 291 CG2 ILE A 19 6.806 -20.033 6.059 1.00 50.00 C -ATOM 292 CD1 ILE A 19 5.758 -19.919 3.252 1.00 50.00 C -ATOM 293 H ILE A 19 5.483 -16.357 5.149 1.00 50.00 H -ATOM 294 HA ILE A 19 4.624 -18.431 6.868 1.00 50.00 H -ATOM 295 HB ILE A 19 7.017 -18.176 5.019 1.00 50.00 H -ATOM 296 1HG1 ILE A 19 4.394 -19.734 4.877 1.00 50.00 H -ATOM 297 2HG1 ILE A 19 4.716 -18.232 4.025 1.00 50.00 H -ATOM 298 1HG2 ILE A 19 7.280 -20.611 5.266 1.00 50.00 H -ATOM 299 2HG2 ILE A 19 7.548 -19.778 6.815 1.00 50.00 H -ATOM 300 3HG2 ILE A 19 6.012 -20.625 6.514 1.00 50.00 H -ATOM 301 1HD1 ILE A 19 4.964 -20.151 2.541 1.00 50.00 H -ATOM 302 2HD1 ILE A 19 6.525 -19.322 2.757 1.00 50.00 H -ATOM 303 3HD1 ILE A 19 6.198 -20.845 3.618 1.00 50.00 H -ATOM 304 N ALA A 20 7.508 -17.028 7.686 1.00 50.00 N -ATOM 305 CA ALA A 20 8.426 -16.808 8.776 1.00 50.00 C -ATOM 306 C ALA A 20 7.645 -16.316 10.020 1.00 50.00 C -ATOM 307 O ALA A 20 7.957 -16.708 11.164 1.00 50.00 O -ATOM 308 CB ALA A 20 9.462 -15.783 8.380 1.00 50.00 C -ATOM 309 H ALA A 20 7.660 -16.548 6.810 1.00 50.00 H -ATOM 310 HA ALA A 20 8.925 -17.752 8.995 1.00 50.00 H -ATOM 311 1HB ALA A 20 10.151 -15.623 9.209 1.00 50.00 H -ATOM 312 2HB ALA A 20 10.016 -16.142 7.512 1.00 50.00 H -ATOM 313 3HB ALA A 20 8.969 -14.844 8.133 1.00 50.00 H -ATOM 314 N MET A 21 6.672 -15.416 9.793 1.00 0.00 N -ATOM 315 CA MET A 21 5.883 -14.867 10.851 1.00 0.00 C -ATOM 316 C MET A 21 5.046 -15.971 11.500 1.00 0.00 C -ATOM 317 O MET A 21 4.845 -15.966 12.720 1.00 0.00 O -ATOM 318 CB MET A 21 5.007 -13.716 10.331 1.00 0.00 C -ATOM 319 CG MET A 21 5.776 -12.503 9.876 1.00 0.00 C -ATOM 320 SD MET A 21 4.774 -11.168 9.186 1.00 0.00 S -ATOM 321 CE MET A 21 4.075 -10.549 10.726 1.00 0.00 C -ATOM 322 H MET A 21 6.496 -15.121 8.843 1.00 0.00 H -ATOM 323 HA MET A 21 6.554 -14.475 11.615 1.00 0.00 H -ATOM 324 1HB MET A 21 4.408 -14.066 9.491 1.00 0.00 H -ATOM 325 2HB MET A 21 4.318 -13.400 11.115 1.00 0.00 H -ATOM 326 1HG MET A 21 6.329 -12.086 10.717 1.00 0.00 H -ATOM 327 2HG MET A 21 6.493 -12.794 9.108 1.00 0.00 H -ATOM 328 1HE MET A 21 3.415 -9.707 10.514 1.00 0.00 H -ATOM 329 2HE MET A 21 3.507 -11.343 11.213 1.00 0.00 H -ATOM 330 3HE MET A 21 4.880 -10.222 11.385 1.00 0.00 H -ATOM 331 N GLN A 22 4.561 -16.943 10.715 1.00 50.00 N -ATOM 332 CA GLN A 22 3.739 -18.045 11.321 1.00 50.00 C -ATOM 333 C GLN A 22 4.582 -19.015 12.171 1.00 50.00 C -ATOM 334 O GLN A 22 4.099 -19.581 13.116 1.00 50.00 O -ATOM 335 CB GLN A 22 2.933 -18.872 10.292 1.00 50.00 C -ATOM 336 CG GLN A 22 2.064 -18.085 9.301 1.00 50.00 C -ATOM 337 CD GLN A 22 1.343 -16.878 9.919 1.00 50.00 C -ATOM 338 OE1 GLN A 22 0.490 -17.054 10.783 1.00 50.00 O -ATOM 339 NE2 GLN A 22 1.701 -15.655 9.487 1.00 50.00 N -ATOM 340 H GLN A 22 4.737 -16.950 9.720 1.00 50.00 H -ATOM 341 HA GLN A 22 3.016 -17.601 12.005 1.00 50.00 H -ATOM 342 1HB GLN A 22 3.616 -19.476 9.695 1.00 50.00 H -ATOM 343 2HB GLN A 22 2.266 -19.555 10.817 1.00 50.00 H -ATOM 344 1HG GLN A 22 2.697 -17.710 8.497 1.00 50.00 H -ATOM 345 2HG GLN A 22 1.300 -18.749 8.896 1.00 50.00 H -ATOM 346 1HE2 GLN A 22 1.256 -14.841 9.863 1.00 50.00 H -ATOM 347 2HE2 GLN A 22 2.411 -15.559 8.790 1.00 50.00 H -ATOM 348 N ILE A 23 5.837 -19.231 11.786 1.00 50.00 N -ATOM 349 CA ILE A 23 6.727 -20.147 12.471 1.00 50.00 C -ATOM 350 C ILE A 23 7.273 -19.488 13.731 1.00 50.00 C -ATOM 351 O ILE A 23 7.214 -20.029 14.814 1.00 50.00 O -ATOM 352 CB ILE A 23 7.929 -20.507 11.554 1.00 50.00 C -ATOM 353 CG1 ILE A 23 7.452 -21.279 10.302 1.00 50.00 C -ATOM 354 CG2 ILE A 23 8.981 -21.309 12.309 1.00 50.00 C -ATOM 355 CD1 ILE A 23 8.500 -21.324 9.200 1.00 50.00 C -ATOM 356 H ILE A 23 6.175 -18.728 10.978 1.00 50.00 H -ATOM 357 HA ILE A 23 6.175 -21.057 12.702 1.00 50.00 H -ATOM 358 HB ILE A 23 8.391 -19.592 11.184 1.00 50.00 H -ATOM 359 1HG1 ILE A 23 7.193 -22.300 10.581 1.00 50.00 H -ATOM 360 2HG1 ILE A 23 6.550 -20.810 9.907 1.00 50.00 H -ATOM 361 1HG2 ILE A 23 9.808 -21.545 11.640 1.00 50.00 H -ATOM 362 2HG2 ILE A 23 9.351 -20.723 13.149 1.00 50.00 H -ATOM 363 3HG2 ILE A 23 8.538 -22.234 12.679 1.00 50.00 H -ATOM 364 1HD1 ILE A 23 8.108 -21.878 8.347 1.00 50.00 H -ATOM 365 2HD1 ILE A 23 8.746 -20.308 8.890 1.00 50.00 H -ATOM 366 3HD1 ILE A 23 9.397 -21.818 9.571 1.00 50.00 H -ATOM 367 N LEU A 24 7.835 -18.292 13.557 1.00 50.00 N -ATOM 368 CA LEU A 24 8.558 -17.568 14.597 1.00 50.00 C -ATOM 369 C LEU A 24 7.656 -16.649 15.474 1.00 50.00 C -ATOM 370 O LEU A 24 8.068 -16.215 16.574 1.00 50.00 O -ATOM 371 CB LEU A 24 9.602 -16.716 13.910 1.00 50.00 C -ATOM 372 CG LEU A 24 10.718 -17.421 13.133 1.00 50.00 C -ATOM 373 CD1 LEU A 24 11.684 -16.390 12.536 1.00 50.00 C -ATOM 374 CD2 LEU A 24 11.447 -18.418 14.045 1.00 50.00 C -ATOM 375 H LEU A 24 7.744 -17.877 12.641 1.00 50.00 H -ATOM 376 HA LEU A 24 9.038 -18.293 15.253 1.00 50.00 H -ATOM 377 1HB LEU A 24 9.102 -16.060 13.200 1.00 50.00 H -ATOM 378 2HB LEU A 24 10.095 -16.097 14.660 1.00 50.00 H -ATOM 379 HG LEU A 24 10.289 -17.958 12.287 1.00 50.00 H -ATOM 380 1HD1 LEU A 24 12.472 -16.905 11.986 1.00 50.00 H -ATOM 381 2HD1 LEU A 24 11.140 -15.732 11.858 1.00 50.00 H -ATOM 382 3HD1 LEU A 24 12.127 -15.800 13.338 1.00 50.00 H -ATOM 383 1HD2 LEU A 24 12.238 -18.915 13.482 1.00 50.00 H -ATOM 384 2HD2 LEU A 24 11.882 -17.886 14.891 1.00 50.00 H -ATOM 385 3HD2 LEU A 24 10.739 -19.162 14.410 1.00 50.00 H -ATOM 386 N GLY A 25 6.447 -16.338 14.966 1.00 0.00 N -ATOM 387 CA GLY A 25 5.558 -15.380 15.585 1.00 0.00 C -ATOM 388 C GLY A 25 5.837 -14.013 14.985 1.00 0.00 C -ATOM 389 O GLY A 25 6.937 -13.702 14.529 1.00 0.00 O -ATOM 390 H GLY A 25 6.158 -16.799 14.115 1.00 0.00 H -ATOM 391 1HA GLY A 25 4.524 -15.681 15.416 1.00 0.00 H -ATOM 392 2HA GLY A 25 5.719 -15.377 16.662 1.00 0.00 H -ATOM 393 N ASP A 26 4.798 -13.191 14.924 1.00 50.00 N -ATOM 394 CA ASP A 26 4.897 -11.830 14.382 1.00 50.00 C -ATOM 395 C ASP A 26 5.984 -10.949 15.009 1.00 50.00 C -ATOM 396 O ASP A 26 6.703 -10.238 14.312 1.00 50.00 O -ATOM 397 CB ASP A 26 3.566 -11.120 14.566 1.00 50.00 C -ATOM 398 CG ASP A 26 2.440 -11.720 13.703 1.00 50.00 C -ATOM 399 OD1 ASP A 26 2.682 -12.690 12.905 1.00 50.00 O -ATOM 400 OD2 ASP A 26 1.296 -11.230 13.883 1.00 50.00 O -ATOM 401 H ASP A 26 3.907 -13.521 15.266 1.00 50.00 H -ATOM 402 HA ASP A 26 5.124 -11.897 13.318 1.00 50.00 H -ATOM 403 1HB ASP A 26 3.267 -11.172 15.613 1.00 50.00 H -ATOM 404 2HB ASP A 26 3.677 -10.066 14.309 1.00 50.00 H -ATOM 405 N GLN A 27 6.107 -11.006 16.338 1.00 0.00 N -ATOM 406 CA GLN A 27 6.937 -10.027 17.036 1.00 0.00 C -ATOM 407 C GLN A 27 8.457 -10.307 16.841 1.00 0.00 C -ATOM 408 O GLN A 27 9.260 -9.381 16.815 1.00 0.00 O -ATOM 409 CB GLN A 27 6.497 -9.760 18.507 1.00 0.00 C -ATOM 410 CG GLN A 27 5.760 -10.828 19.332 1.00 0.00 C -ATOM 411 CD GLN A 27 4.538 -11.482 18.682 1.00 0.00 C -ATOM 412 OE1 GLN A 27 4.547 -12.668 18.437 1.00 0.00 O -ATOM 413 NE2 GLN A 27 3.489 -10.710 18.418 1.00 0.00 N -ATOM 414 H GLN A 27 5.633 -11.719 16.873 1.00 0.00 H -ATOM 415 HA GLN A 27 6.870 -9.077 16.507 1.00 0.00 H -ATOM 416 1HB GLN A 27 7.372 -9.518 19.110 1.00 0.00 H -ATOM 417 2HB GLN A 27 5.831 -8.898 18.537 1.00 0.00 H -ATOM 418 1HG GLN A 27 6.452 -11.640 19.557 1.00 0.00 H -ATOM 419 2HG GLN A 27 5.402 -10.375 20.257 1.00 0.00 H -ATOM 420 1HE2 GLN A 27 2.672 -11.103 17.993 1.00 0.00 H -ATOM 421 2HE2 GLN A 27 3.515 -9.736 18.643 1.00 0.00 H -ATOM 422 N GLU A 28 8.826 -11.582 16.664 1.00 0.00 N -ATOM 423 CA GLU A 28 10.207 -11.959 16.296 1.00 0.00 C -ATOM 424 C GLU A 28 10.562 -11.432 14.918 1.00 0.00 C -ATOM 425 O GLU A 28 11.666 -10.995 14.714 1.00 0.00 O -ATOM 426 CB GLU A 28 10.376 -13.468 16.305 1.00 0.00 C -ATOM 427 CG GLU A 28 11.761 -13.954 15.918 1.00 0.00 C -ATOM 428 CD GLU A 28 12.847 -13.427 16.817 1.00 0.00 C -ATOM 429 OE1 GLU A 28 12.612 -13.190 18.014 1.00 0.00 O -ATOM 430 OE2 GLU A 28 13.952 -13.251 16.321 1.00 0.00 O -ATOM 431 H GLU A 28 8.134 -12.308 16.787 1.00 0.00 H -ATOM 432 HA GLU A 28 10.890 -11.531 17.030 1.00 0.00 H -ATOM 433 1HB GLU A 28 10.156 -13.853 17.301 1.00 0.00 H -ATOM 434 2HB GLU A 28 9.662 -13.918 15.615 1.00 0.00 H -ATOM 435 1HG GLU A 28 11.776 -15.043 15.954 1.00 0.00 H -ATOM 436 2HG GLU A 28 11.968 -13.649 14.893 1.00 0.00 H -ATOM 437 N VAL A 29 9.613 -11.450 13.981 1.00 50.00 N -ATOM 438 CA VAL A 29 9.848 -10.919 12.653 1.00 50.00 C -ATOM 439 C VAL A 29 9.861 -9.382 12.648 1.00 50.00 C -ATOM 440 O VAL A 29 10.734 -8.782 12.016 1.00 50.00 O -ATOM 441 CB VAL A 29 8.932 -11.495 11.548 1.00 50.00 C -ATOM 442 CG1 VAL A 29 9.294 -10.909 10.168 1.00 50.00 C -ATOM 443 CG2 VAL A 29 9.083 -13.019 11.461 1.00 50.00 C -ATOM 444 H VAL A 29 8.709 -11.843 14.201 1.00 50.00 H -ATOM 445 HA VAL A 29 10.871 -11.158 12.361 1.00 50.00 H -ATOM 446 HB VAL A 29 7.896 -11.251 11.784 1.00 50.00 H -ATOM 447 1HG1 VAL A 29 8.634 -11.331 9.409 1.00 50.00 H -ATOM 448 2HG1 VAL A 29 9.175 -9.826 10.190 1.00 50.00 H -ATOM 449 3HG1 VAL A 29 10.328 -11.157 9.927 1.00 50.00 H -ATOM 450 1HG2 VAL A 29 8.430 -13.405 10.679 1.00 50.00 H -ATOM 451 2HG2 VAL A 29 10.118 -13.269 11.227 1.00 50.00 H -ATOM 452 3HG2 VAL A 29 8.808 -13.467 12.416 1.00 50.00 H -ATOM 453 N MET A 30 8.914 -8.740 13.331 1.00 50.00 N -ATOM 454 CA MET A 30 9.000 -7.279 13.596 1.00 50.00 C -ATOM 455 C MET A 30 10.413 -6.868 14.095 1.00 50.00 C -ATOM 456 O MET A 30 11.002 -5.861 13.607 1.00 50.00 O -ATOM 457 CB MET A 30 7.963 -6.840 14.630 1.00 50.00 C -ATOM 458 CG MET A 30 6.452 -7.035 14.253 1.00 50.00 C -ATOM 459 SD MET A 30 5.757 -5.469 13.759 1.00 50.00 S -ATOM 460 CE MET A 30 6.421 -5.522 12.146 1.00 50.00 C -ATOM 461 H MET A 30 8.118 -9.257 13.677 1.00 50.00 H -ATOM 462 HA MET A 30 8.801 -6.747 12.666 1.00 50.00 H -ATOM 463 1HB MET A 30 8.122 -7.386 15.559 1.00 50.00 H -ATOM 464 2HB MET A 30 8.092 -5.779 14.848 1.00 50.00 H -ATOM 465 1HG MET A 30 6.370 -7.755 13.439 1.00 50.00 H -ATOM 466 2HG MET A 30 5.911 -7.430 15.112 1.00 50.00 H -ATOM 467 1HE MET A 30 6.126 -4.625 11.601 1.00 50.00 H -ATOM 468 2HE MET A 30 7.509 -5.572 12.202 1.00 50.00 H -ATOM 469 3HE MET A 30 6.044 -6.403 11.626 1.00 50.00 H -ATOM 470 N LEU A 31 10.986 -7.646 15.026 1.00 0.00 N -ATOM 471 CA LEU A 31 12.338 -7.346 15.540 1.00 0.00 C -ATOM 472 C LEU A 31 13.356 -7.112 14.449 1.00 0.00 C -ATOM 473 O LEU A 31 14.234 -6.256 14.575 1.00 0.00 O -ATOM 474 CB LEU A 31 12.917 -8.454 16.374 1.00 0.00 C -ATOM 475 CG LEU A 31 12.514 -8.626 17.811 1.00 0.00 C -ATOM 476 CD1 LEU A 31 13.618 -9.467 18.425 1.00 0.00 C -ATOM 477 CD2 LEU A 31 12.357 -7.313 18.555 1.00 0.00 C -ATOM 478 H LEU A 31 10.491 -8.450 15.384 1.00 0.00 H -ATOM 479 HA LEU A 31 12.279 -6.462 16.174 1.00 0.00 H -ATOM 480 1HB LEU A 31 12.681 -9.405 15.900 1.00 0.00 H -ATOM 481 2HB LEU A 31 14.001 -8.342 16.397 1.00 0.00 H -ATOM 482 HG LEU A 31 11.557 -9.146 17.861 1.00 0.00 H -ATOM 483 1HD1 LEU A 31 13.400 -9.640 19.479 1.00 0.00 H -ATOM 484 2HD1 LEU A 31 13.678 -10.424 17.906 1.00 0.00 H -ATOM 485 3HD1 LEU A 31 14.569 -8.943 18.333 1.00 0.00 H -ATOM 486 1HD2 LEU A 31 12.064 -7.512 19.586 1.00 0.00 H -ATOM 487 2HD2 LEU A 31 13.304 -6.773 18.544 1.00 0.00 H -ATOM 488 3HD2 LEU A 31 11.590 -6.709 18.070 1.00 0.00 H -ATOM 489 N TRP A 32 13.257 -7.888 13.378 1.00 50.00 N -ATOM 490 CA TRP A 32 14.201 -7.790 12.271 1.00 50.00 C -ATOM 491 C TRP A 32 13.813 -6.764 11.241 1.00 50.00 C -ATOM 492 O TRP A 32 14.679 -6.084 10.708 1.00 50.00 O -ATOM 493 CB TRP A 32 14.432 -9.175 11.616 1.00 50.00 C -ATOM 494 CG TRP A 32 15.448 -9.972 12.409 1.00 50.00 C -ATOM 495 CD1 TRP A 32 15.271 -10.505 13.658 1.00 50.00 C -ATOM 496 CD2 TRP A 32 16.808 -10.251 12.046 1.00 50.00 C -ATOM 497 NE1 TRP A 32 16.422 -11.115 14.082 1.00 50.00 N -ATOM 498 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.00 C -ATOM 499 CE3 TRP A 32 17.593 -9.978 10.912 1.00 50.00 C -ATOM 500 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 50.00 C -ATOM 501 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 50.00 C -ATOM 502 CH2 TRP A 32 19.453 -11.179 11.964 1.00 50.00 C -ATOM 503 H TRP A 32 12.508 -8.564 13.328 1.00 50.00 H -ATOM 504 HA TRP A 32 15.153 -7.430 12.660 1.00 50.00 H -ATOM 505 1HB TRP A 32 13.488 -9.718 11.570 1.00 50.00 H -ATOM 506 2HB TRP A 32 14.782 -9.040 10.593 1.00 50.00 H -ATOM 507 HD1 TRP A 32 14.348 -10.452 14.233 1.00 50.00 H -ATOM 508 HE1 TRP A 32 16.547 -11.587 14.966 1.00 50.00 H -ATOM 509 HE3 TRP A 32 17.183 -9.415 10.074 1.00 50.00 H -ATOM 510 HZ2 TRP A 32 19.145 -12.017 13.907 1.00 50.00 H -ATOM 511 HZ3 TRP A 32 19.517 -10.234 9.998 1.00 50.00 H -ATOM 512 HH2 TRP A 32 20.483 -11.531 11.906 1.00 50.00 H -ATOM 513 N LEU A 33 12.512 -6.673 10.934 1.00 50.00 N -ATOM 514 CA LEU A 33 12.063 -5.938 9.742 1.00 50.00 C -ATOM 515 C LEU A 33 11.275 -4.670 10.005 1.00 50.00 C -ATOM 516 O LEU A 33 10.924 -3.982 9.072 1.00 50.00 O -ATOM 517 CB LEU A 33 11.231 -6.839 8.872 1.00 50.00 C -ATOM 518 CG LEU A 33 11.916 -8.085 8.312 1.00 50.00 C -ATOM 519 CD1 LEU A 33 10.908 -8.844 7.464 1.00 50.00 C -ATOM 520 CD2 LEU A 33 13.125 -7.732 7.475 1.00 50.00 C -ATOM 521 H LEU A 33 11.824 -7.115 11.528 1.00 50.00 H -ATOM 522 HA LEU A 33 12.941 -5.617 9.183 1.00 50.00 H -ATOM 523 1HB LEU A 33 10.370 -7.178 9.446 1.00 50.00 H -ATOM 524 2HB LEU A 33 10.869 -6.263 8.020 1.00 50.00 H -ATOM 525 HG LEU A 33 12.243 -8.721 9.135 1.00 50.00 H -ATOM 526 1HD1 LEU A 33 11.377 -9.738 7.054 1.00 50.00 H -ATOM 527 2HD1 LEU A 33 10.057 -9.132 8.081 1.00 50.00 H -ATOM 528 3HD1 LEU A 33 10.567 -8.208 6.648 1.00 50.00 H -ATOM 529 1HD2 LEU A 33 13.584 -8.645 7.096 1.00 50.00 H -ATOM 530 2HD2 LEU A 33 12.817 -7.106 6.637 1.00 50.00 H -ATOM 531 3HD2 LEU A 33 13.846 -7.190 8.087 1.00 50.00 H -ATOM 532 N ALA A 34 10.906 -4.409 11.260 1.00 50.00 N -ATOM 533 CA ALA A 34 10.055 -3.265 11.556 1.00 50.00 C -ATOM 534 C ALA A 34 10.862 -1.972 11.393 1.00 50.00 C -ATOM 535 O ALA A 34 12.083 -1.976 11.509 1.00 50.00 O -ATOM 536 CB ALA A 34 9.464 -3.343 12.948 1.00 50.00 C -ATOM 537 H ALA A 34 11.213 -5.002 12.017 1.00 50.00 H -ATOM 538 HA ALA A 34 9.234 -3.259 10.839 1.00 50.00 H -ATOM 539 1HB ALA A 34 8.836 -2.470 13.126 1.00 50.00 H -ATOM 540 2HB ALA A 34 8.862 -4.247 13.037 1.00 50.00 H -ATOM 541 3HB ALA A 34 10.267 -3.368 13.683 1.00 50.00 H -ATOM 542 N TRP A 35 10.156 -0.892 11.096 1.00 50.00 N -ATOM 543 CA TRP A 35 10.694 0.461 11.257 1.00 50.00 C -ATOM 544 C TRP A 35 11.473 0.591 12.564 1.00 50.00 C -ATOM 545 O TRP A 35 11.039 0.084 13.588 1.00 50.00 O -ATOM 546 CB TRP A 35 9.519 1.450 11.258 1.00 50.00 C -ATOM 547 CG TRP A 35 9.953 2.908 11.118 1.00 50.00 C -ATOM 548 CD1 TRP A 35 10.380 3.720 12.118 1.00 50.00 C -ATOM 549 CD2 TRP A 35 9.968 3.687 9.933 1.00 50.00 C -ATOM 550 NE1 TRP A 35 10.630 4.943 11.637 1.00 50.00 N -ATOM 551 CE2 TRP A 35 10.425 4.946 10.283 1.00 50.00 C -ATOM 552 CE3 TRP A 35 9.657 3.426 8.584 1.00 50.00 C -ATOM 553 CZ2 TRP A 35 10.568 5.988 9.346 1.00 50.00 C -ATOM 554 CZ3 TRP A 35 9.806 4.467 7.640 1.00 50.00 C -ATOM 555 CH2 TRP A 35 10.231 5.726 8.041 1.00 50.00 C -ATOM 556 H TRP A 35 9.215 -1.009 10.747 1.00 50.00 H -ATOM 557 HA TRP A 35 11.352 0.674 10.415 1.00 50.00 H -ATOM 558 1HB TRP A 35 8.842 1.212 10.437 1.00 50.00 H -ATOM 559 2HB TRP A 35 8.957 1.346 12.186 1.00 50.00 H -ATOM 560 HD1 TRP A 35 10.500 3.418 13.157 1.00 50.00 H -ATOM 561 HE1 TRP A 35 10.923 5.741 12.182 1.00 50.00 H -ATOM 562 HE3 TRP A 35 9.311 2.440 8.275 1.00 50.00 H -ATOM 563 HZ2 TRP A 35 10.934 6.975 9.629 1.00 50.00 H -ATOM 564 HZ3 TRP A 35 9.581 4.262 6.593 1.00 50.00 H -ATOM 565 HH2 TRP A 35 10.297 6.524 7.301 1.00 50.00 H -ATOM 566 N PRO A 36 12.630 1.294 12.607 1.00 50.00 N -ATOM 567 CA PRO A 36 13.447 1.310 13.820 1.00 50.00 C -ATOM 568 C PRO A 36 12.641 1.730 15.018 1.00 50.00 C -ATOM 569 O PRO A 36 12.042 2.794 15.025 1.00 50.00 O -ATOM 570 CB PRO A 36 14.522 2.319 13.504 1.00 50.00 C -ATOM 571 CG PRO A 36 14.582 2.345 12.018 1.00 50.00 C -ATOM 572 CD PRO A 36 13.223 2.064 11.507 1.00 50.00 C -ATOM 573 HA PRO A 36 13.882 0.312 13.976 1.00 50.00 H -ATOM 574 1HB PRO A 36 14.259 3.296 13.935 1.00 50.00 H -ATOM 575 2HB PRO A 36 15.474 2.011 13.962 1.00 50.00 H -ATOM 576 1HG PRO A 36 14.939 3.325 11.669 1.00 50.00 H -ATOM 577 2HG PRO A 36 15.302 1.597 11.654 1.00 50.00 H -ATOM 578 1HD PRO A 36 12.693 3.012 11.333 1.00 50.00 H -ATOM 579 2HD PRO A 36 13.294 1.482 10.576 1.00 50.00 H -ATOM 580 N PHE A 37 12.627 0.877 16.039 1.00 0.00 N -ATOM 581 CA PHE A 37 11.837 1.134 17.237 1.00 0.00 C -ATOM 582 C PHE A 37 12.760 1.481 18.373 1.00 0.00 C -ATOM 583 O PHE A 37 12.327 1.709 19.470 1.00 0.00 O -ATOM 584 CB PHE A 37 10.942 -0.076 17.581 1.00 0.00 C -ATOM 585 CG PHE A 37 11.636 -1.389 17.461 1.00 0.00 C -ATOM 586 CD1 PHE A 37 12.377 -1.886 18.514 1.00 0.00 C -ATOM 587 CD2 PHE A 37 11.578 -2.110 16.295 1.00 0.00 C -ATOM 588 CE1 PHE A 37 13.028 -3.091 18.409 1.00 0.00 C -ATOM 589 CE2 PHE A 37 12.272 -3.313 16.164 1.00 0.00 C -ATOM 590 CZ PHE A 37 12.975 -3.807 17.225 1.00 0.00 C -ATOM 591 H PHE A 37 13.176 0.031 15.984 1.00 0.00 H -ATOM 592 HA PHE A 37 11.194 1.995 17.049 1.00 0.00 H -ATOM 593 1HB PHE A 37 10.574 0.022 18.601 1.00 0.00 H -ATOM 594 2HB PHE A 37 10.076 -0.087 16.921 1.00 0.00 H -ATOM 595 HD1 PHE A 37 12.442 -1.311 19.438 1.00 0.00 H -ATOM 596 HD2 PHE A 37 11.015 -1.711 15.450 1.00 0.00 H -ATOM 597 HE1 PHE A 37 13.586 -3.484 19.258 1.00 0.00 H -ATOM 598 HE2 PHE A 37 12.256 -3.858 15.220 1.00 0.00 H -ATOM 599 HZ PHE A 37 13.494 -4.761 17.140 1.00 0.00 H -ATOM 600 N ASP A 38 14.051 1.563 18.077 1.00 0.00 N -ATOM 601 CA ASP A 38 15.077 1.974 19.034 1.00 0.00 C -ATOM 602 C ASP A 38 16.108 2.803 18.274 1.00 0.00 C -ATOM 603 O ASP A 38 16.409 2.475 17.125 1.00 0.00 O -ATOM 604 CB ASP A 38 15.754 0.733 19.594 1.00 0.00 C -ATOM 605 CG ASP A 38 16.512 1.021 20.857 1.00 0.00 C -ATOM 606 OD1 ASP A 38 15.880 1.546 21.791 1.00 0.00 O -ATOM 607 OD2 ASP A 38 17.730 0.757 20.916 1.00 0.00 O -ATOM 608 H ASP A 38 14.325 1.325 17.134 1.00 0.00 H -ATOM 609 HA ASP A 38 14.595 2.521 19.845 1.00 0.00 H -ATOM 610 1HB ASP A 38 15.003 -0.031 19.797 1.00 0.00 H -ATOM 611 2HB ASP A 38 16.442 0.327 18.852 1.00 0.00 H -ATOM 612 N PRO A 39 16.726 3.847 18.887 1.00 0.00 N -ATOM 613 CA PRO A 39 17.758 4.638 18.197 1.00 0.00 C -ATOM 614 C PRO A 39 18.915 3.817 17.670 1.00 0.00 C -ATOM 615 O PRO A 39 19.467 4.133 16.618 1.00 0.00 O -ATOM 616 CB PRO A 39 18.292 5.580 19.280 1.00 0.00 C -ATOM 617 CG PRO A 39 17.288 5.549 20.376 1.00 0.00 C -ATOM 618 CD PRO A 39 16.472 4.307 20.268 1.00 0.00 C -ATOM 619 HA PRO A 39 17.290 5.212 17.384 1.00 0.00 H -ATOM 620 1HB PRO A 39 19.282 5.241 19.618 1.00 0.00 H -ATOM 621 2HB PRO A 39 18.422 6.592 18.868 1.00 0.00 H -ATOM 622 1HG PRO A 39 17.791 5.586 21.353 1.00 0.00 H -ATOM 623 2HG PRO A 39 16.637 6.434 20.320 1.00 0.00 H -ATOM 624 1HD PRO A 39 16.822 3.572 21.008 1.00 0.00 H -ATOM 625 2HD PRO A 39 15.412 4.549 20.432 1.00 0.00 H -ATOM 626 N THR A 40 19.278 2.752 18.386 1.00 0.00 N -ATOM 627 CA THR A 40 20.338 1.899 17.939 1.00 0.00 C -ATOM 628 C THR A 40 20.046 1.185 16.597 1.00 0.00 C -ATOM 629 O THR A 40 20.952 0.586 16.025 1.00 0.00 O -ATOM 630 CB THR A 40 20.679 0.868 19.003 1.00 0.00 C -ATOM 631 OG1 THR A 40 19.525 0.082 19.253 1.00 0.00 O -ATOM 632 CG2 THR A 40 21.074 1.516 20.310 1.00 0.00 C -ATOM 633 H THR A 40 18.806 2.538 19.253 1.00 0.00 H -ATOM 634 HA THR A 40 21.220 2.512 17.753 1.00 0.00 H -ATOM 635 HB THR A 40 21.509 0.251 18.659 1.00 0.00 H -ATOM 636 HG1 THR A 40 18.805 0.385 18.694 1.00 0.00 H -ATOM 637 1HG2 THR A 40 21.310 0.744 21.042 1.00 0.00 H -ATOM 638 2HG2 THR A 40 21.948 2.147 20.153 1.00 0.00 H -ATOM 639 3HG2 THR A 40 20.249 2.124 20.678 1.00 0.00 H -ATOM 640 N LEU A 41 18.794 1.230 16.111 1.00 0.00 N -ATOM 641 CA LEU A 41 18.411 0.545 14.873 1.00 0.00 C -ATOM 642 C LEU A 41 18.336 1.508 13.689 1.00 0.00 C -ATOM 643 O LEU A 41 18.029 1.107 12.562 1.00 0.00 O -ATOM 644 CB LEU A 41 17.076 -0.217 15.045 1.00 0.00 C -ATOM 645 CG LEU A 41 16.985 -1.146 16.310 1.00 0.00 C -ATOM 646 CD1 LEU A 41 15.662 -1.879 16.450 1.00 0.00 C -ATOM 647 CD2 LEU A 41 18.115 -2.163 16.345 1.00 0.00 C -ATOM 648 H LEU A 41 18.096 1.755 16.619 1.00 0.00 H -ATOM 649 HA LEU A 41 19.187 -0.177 14.623 1.00 0.00 H -ATOM 650 1HB LEU A 41 16.267 0.509 15.106 1.00 0.00 H -ATOM 651 2HB LEU A 41 16.914 -0.837 14.164 1.00 0.00 H -ATOM 652 HG LEU A 41 17.044 -0.538 17.213 1.00 0.00 H -ATOM 653 1HD1 LEU A 41 15.682 -2.497 17.348 1.00 0.00 H -ATOM 654 2HD1 LEU A 41 14.851 -1.155 16.527 1.00 0.00 H -ATOM 655 3HD1 LEU A 41 15.503 -2.511 15.577 1.00 0.00 H -ATOM 656 1HD2 LEU A 41 18.017 -2.786 17.235 1.00 0.00 H -ATOM 657 2HD2 LEU A 41 18.067 -2.791 15.455 1.00 0.00 H -ATOM 658 3HD2 LEU A 41 19.072 -1.642 16.370 1.00 0.00 H -ATOM 659 N LYS A 42 18.626 2.787 13.960 1.00 50.00 N -ATOM 660 CA LYS A 42 18.438 3.849 13.005 1.00 50.00 C -ATOM 661 C LYS A 42 19.288 3.624 11.752 1.00 50.00 C -ATOM 662 O LYS A 42 18.875 4.014 10.650 1.00 50.00 O -ATOM 663 CB LYS A 42 18.728 5.195 13.671 1.00 50.00 C -ATOM 664 CG LYS A 42 20.198 5.448 14.021 1.00 50.00 C -ATOM 665 CD LYS A 42 20.372 6.572 15.062 1.00 50.00 C -ATOM 666 CE LYS A 42 21.612 6.373 15.930 1.00 50.00 C -ATOM 667 NZ LYS A 42 21.441 7.014 17.278 1.00 50.00 N -ATOM 668 H LYS A 42 18.992 3.007 14.875 1.00 50.00 H -ATOM 669 HA LYS A 42 17.400 3.833 12.670 1.00 50.00 H -ATOM 670 1HB LYS A 42 18.405 6.003 13.014 1.00 50.00 H -ATOM 671 2HB LYS A 42 18.154 5.275 14.595 1.00 50.00 H -ATOM 672 1HG LYS A 42 20.639 4.535 14.424 1.00 50.00 H -ATOM 673 2HG LYS A 42 20.744 5.727 13.120 1.00 50.00 H -ATOM 674 1HD LYS A 42 20.458 7.532 14.551 1.00 50.00 H -ATOM 675 2HD LYS A 42 19.498 6.604 15.712 1.00 50.00 H -ATOM 676 1HE LYS A 42 21.797 5.308 16.061 1.00 50.00 H -ATOM 677 2HE LYS A 42 22.478 6.811 15.433 1.00 50.00 H -ATOM 678 1HZ LYS A 42 22.275 6.867 17.829 1.00 50.00 H -ATOM 679 2HZ LYS A 42 21.284 8.006 17.163 1.00 50.00 H -ATOM 680 3HZ LYS A 42 20.649 6.601 17.750 1.00 50.00 H -ATOM 681 N PHE A 43 20.441 2.951 11.906 1.00 50.00 N -ATOM 682 CA PHE A 43 21.322 2.685 10.759 1.00 50.00 C -ATOM 683 C PHE A 43 20.991 1.450 9.887 1.00 50.00 C -ATOM 684 O PHE A 43 21.537 1.300 8.780 1.00 50.00 O -ATOM 685 CB PHE A 43 22.765 2.668 11.234 1.00 50.00 C -ATOM 686 CG PHE A 43 23.179 3.926 11.967 1.00 50.00 C -ATOM 687 CD1 PHE A 43 23.285 5.135 11.286 1.00 50.00 C -ATOM 688 CD2 PHE A 43 23.480 3.895 13.325 1.00 50.00 C -ATOM 689 CE1 PHE A 43 23.682 6.295 11.934 1.00 50.00 C -ATOM 690 CE2 PHE A 43 23.893 5.052 13.987 1.00 50.00 C -ATOM 691 CZ PHE A 43 23.982 6.260 13.291 1.00 50.00 C -ATOM 692 H PHE A 43 20.712 2.621 12.821 1.00 50.00 H -ATOM 693 HA PHE A 43 21.192 3.486 10.030 1.00 50.00 H -ATOM 694 1HB PHE A 43 22.919 1.819 11.899 1.00 50.00 H -ATOM 695 2HB PHE A 43 23.428 2.538 10.379 1.00 50.00 H -ATOM 696 HD1 PHE A 43 23.050 5.169 10.222 1.00 50.00 H -ATOM 697 HD2 PHE A 43 23.411 2.952 13.868 1.00 50.00 H -ATOM 698 HE1 PHE A 43 23.758 7.230 11.379 1.00 50.00 H -ATOM 699 HE2 PHE A 43 24.147 5.014 15.046 1.00 50.00 H -ATOM 700 HZ PHE A 43 24.286 7.170 13.807 1.00 50.00 H -ATOM 701 N GLU A 44 20.045 0.627 10.359 1.00 50.00 N -ATOM 702 CA GLU A 44 19.618 -0.596 9.682 1.00 50.00 C -ATOM 703 C GLU A 44 18.623 -0.206 8.582 1.00 50.00 C -ATOM 704 O GLU A 44 17.383 -0.284 8.758 1.00 50.00 O -ATOM 705 CB GLU A 44 19.066 -1.574 10.719 1.00 50.00 C -ATOM 706 CG GLU A 44 20.166 -2.044 11.659 1.00 50.00 C -ATOM 707 CD GLU A 44 19.742 -3.024 12.758 1.00 50.00 C -ATOM 708 OE1 GLU A 44 18.582 -3.479 12.850 1.00 50.00 O -ATOM 709 OE2 GLU A 44 20.606 -3.344 13.600 1.00 50.00 O -ATOM 710 H GLU A 44 19.612 0.881 11.235 1.00 50.00 H -ATOM 711 HA GLU A 44 20.485 -1.041 9.192 1.00 50.00 H -ATOM 712 1HB GLU A 44 18.275 -1.089 11.291 1.00 50.00 H -ATOM 713 2HB GLU A 44 18.624 -2.432 10.211 1.00 50.00 H -ATOM 714 1HG GLU A 44 20.944 -2.534 11.075 1.00 50.00 H -ATOM 715 2HG GLU A 44 20.608 -1.176 12.146 1.00 50.00 H -ATOM 716 N PHE A 45 19.208 0.153 7.425 1.00 50.00 N -ATOM 717 CA PHE A 45 18.572 0.864 6.300 1.00 50.00 C -ATOM 718 C PHE A 45 17.313 0.215 5.765 1.00 50.00 C -ATOM 719 O PHE A 45 16.364 0.901 5.374 1.00 50.00 O -ATOM 720 CB PHE A 45 19.584 1.142 5.127 1.00 50.00 C -ATOM 721 CG PHE A 45 20.207 -0.109 4.496 1.00 50.00 C -ATOM 722 CD1 PHE A 45 21.341 -0.704 5.047 1.00 50.00 C -ATOM 723 CD2 PHE A 45 19.671 -0.670 3.333 1.00 50.00 C -ATOM 724 CE1 PHE A 45 21.906 -1.834 4.470 1.00 50.00 C -ATOM 725 CE2 PHE A 45 20.233 -1.801 2.765 1.00 50.00 C -ATOM 726 CZ PHE A 45 21.353 -2.380 3.330 1.00 50.00 C -ATOM 727 H PHE A 45 20.181 -0.107 7.355 1.00 50.00 H -ATOM 728 HA PHE A 45 18.206 1.826 6.661 1.00 50.00 H -ATOM 729 1HB PHE A 45 19.079 1.692 4.334 1.00 50.00 H -ATOM 730 2HB PHE A 45 20.399 1.766 5.490 1.00 50.00 H -ATOM 731 HD1 PHE A 45 21.786 -0.273 5.944 1.00 50.00 H -ATOM 732 HD2 PHE A 45 18.787 -0.216 2.883 1.00 50.00 H -ATOM 733 HE1 PHE A 45 22.788 -2.291 4.918 1.00 50.00 H -ATOM 734 HE2 PHE A 45 19.790 -2.234 1.869 1.00 50.00 H -ATOM 735 HZ PHE A 45 21.799 -3.264 2.876 1.00 50.00 H -ATOM 736 N TRP A 46 17.327 -1.119 5.733 1.00 50.00 N -ATOM 737 CA TRP A 46 16.227 -1.921 5.203 1.00 50.00 C -ATOM 738 C TRP A 46 14.900 -1.646 5.941 1.00 50.00 C -ATOM 739 O TRP A 46 13.861 -1.686 5.340 1.00 50.00 O -ATOM 740 CB TRP A 46 16.585 -3.400 5.253 1.00 50.00 C -ATOM 741 CG TRP A 46 16.706 -3.980 6.624 1.00 50.00 C -ATOM 742 CD1 TRP A 46 15.699 -4.504 7.362 1.00 50.00 C -ATOM 743 CD2 TRP A 46 17.901 -4.169 7.391 1.00 50.00 C -ATOM 744 NE1 TRP A 46 16.180 -4.950 8.572 1.00 50.00 N -ATOM 745 CE2 TRP A 46 17.534 -4.767 8.603 1.00 50.00 C -ATOM 746 CE3 TRP A 46 19.263 -3.885 7.166 1.00 50.00 C -ATOM 747 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 50.00 C -ATOM 748 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 50.00 C -ATOM 749 CH2 TRP A 46 19.770 -4.781 9.369 1.00 50.00 C -ATOM 750 H TRP A 46 18.145 -1.586 6.097 1.00 50.00 H -ATOM 751 HA TRP A 46 16.059 -1.635 4.165 1.00 50.00 H -ATOM 752 1HB TRP A 46 15.828 -3.976 4.721 1.00 50.00 H -ATOM 753 2HB TRP A 46 17.536 -3.562 4.745 1.00 50.00 H -ATOM 754 HD1 TRP A 46 14.660 -4.564 7.044 1.00 50.00 H -ATOM 755 HE1 TRP A 46 15.624 -5.347 9.316 1.00 50.00 H -ATOM 756 HE3 TRP A 46 19.592 -3.448 6.224 1.00 50.00 H -ATOM 757 HZ2 TRP A 46 18.166 -5.567 10.536 1.00 50.00 H -ATOM 758 HZ3 TRP A 46 21.228 -3.925 8.007 1.00 50.00 H -ATOM 759 HH2 TRP A 46 20.517 -5.008 10.130 1.00 50.00 H -ATOM 760 N ARG A 47 14.966 -1.399 7.256 1.00 50.00 N -ATOM 761 CA ARG A 47 13.775 -1.165 8.088 1.00 50.00 C -ATOM 762 C ARG A 47 12.816 -0.088 7.550 1.00 50.00 C -ATOM 763 O ARG A 47 11.620 -0.119 7.838 1.00 50.00 O -ATOM 764 CB ARG A 47 14.195 -0.786 9.496 1.00 50.00 C -ATOM 765 CG ARG A 47 14.911 -1.928 10.162 1.00 50.00 C -ATOM 766 CD ARG A 47 15.320 -1.562 11.546 1.00 50.00 C -ATOM 767 NE ARG A 47 15.974 -2.657 12.233 1.00 50.00 N -ATOM 768 CZ ARG A 47 15.356 -3.632 12.912 1.00 50.00 C -ATOM 769 NH1 ARG A 47 14.035 -3.660 13.052 1.00 50.00 N -ATOM 770 NH2 ARG A 47 16.072 -4.565 13.519 1.00 50.00 N -ATOM 771 H ARG A 47 15.879 -1.374 7.686 1.00 50.00 H -ATOM 772 HA ARG A 47 13.194 -2.087 8.128 1.00 50.00 H -ATOM 773 1HB ARG A 47 14.846 0.086 9.459 1.00 50.00 H -ATOM 774 2HB ARG A 47 13.314 -0.513 10.077 1.00 50.00 H -ATOM 775 1HG ARG A 47 14.250 -2.794 10.209 1.00 50.00 H -ATOM 776 2HG ARG A 47 15.803 -2.183 9.588 1.00 50.00 H -ATOM 777 1HD ARG A 47 16.015 -0.723 11.510 1.00 50.00 H -ATOM 778 2HD ARG A 47 14.440 -1.280 12.123 1.00 50.00 H -ATOM 779 HE ARG A 47 16.984 -2.695 12.202 1.00 50.00 H -ATOM 780 1HH1 ARG A 47 13.468 -2.932 12.640 1.00 50.00 H -ATOM 781 2HH1 ARG A 47 13.598 -4.409 13.570 1.00 50.00 H -ATOM 782 1HH2 ARG A 47 17.081 -4.540 13.469 1.00 50.00 H -ATOM 783 2HH2 ARG A 47 15.610 -5.301 14.032 1.00 50.00 H -ATOM 784 N TYR A 48 13.343 0.873 6.776 1.00 50.00 N -ATOM 785 CA TYR A 48 12.534 1.999 6.333 1.00 50.00 C -ATOM 786 C TYR A 48 11.625 1.551 5.216 1.00 50.00 C -ATOM 787 O TYR A 48 10.669 2.252 4.859 1.00 50.00 O -ATOM 788 CB TYR A 48 13.446 3.210 5.933 1.00 50.00 C -ATOM 789 CG TYR A 48 14.274 3.728 7.097 1.00 50.00 C -ATOM 790 CD1 TYR A 48 13.675 4.446 8.125 1.00 50.00 C -ATOM 791 CD2 TYR A 48 15.646 3.529 7.177 1.00 50.00 C -ATOM 792 CE1 TYR A 48 14.391 4.927 9.197 1.00 50.00 C -ATOM 793 CE2 TYR A 48 16.370 4.013 8.256 1.00 50.00 C -ATOM 794 CZ TYR A 48 15.736 4.699 9.264 1.00 50.00 C -ATOM 795 OH TYR A 48 16.451 5.205 10.351 1.00 50.00 O -ATOM 796 H TYR A 48 14.311 0.822 6.493 1.00 50.00 H -ATOM 797 HA TYR A 48 11.889 2.307 7.156 1.00 50.00 H -ATOM 798 1HB TYR A 48 14.119 2.909 5.129 1.00 50.00 H -ATOM 799 2HB TYR A 48 12.827 4.022 5.554 1.00 50.00 H -ATOM 800 HD1 TYR A 48 12.603 4.645 8.099 1.00 50.00 H -ATOM 801 HD2 TYR A 48 16.165 2.988 6.386 1.00 50.00 H -ATOM 802 HE1 TYR A 48 13.885 5.486 9.984 1.00 50.00 H -ATOM 803 HE2 TYR A 48 17.447 3.851 8.307 1.00 50.00 H -ATOM 804 HH TYR A 48 17.381 4.991 10.249 1.00 50.00 H -ATOM 805 N PHE A 49 11.896 0.343 4.715 1.00 50.00 N -ATOM 806 CA PHE A 49 11.135 -0.311 3.640 1.00 50.00 C -ATOM 807 C PHE A 49 10.460 -1.649 4.021 1.00 50.00 C -ATOM 808 O PHE A 49 9.340 -1.924 3.600 1.00 50.00 O -ATOM 809 CB PHE A 49 12.059 -0.523 2.419 1.00 50.00 C -ATOM 810 CG PHE A 49 12.760 0.760 1.998 1.00 50.00 C -ATOM 811 CD1 PHE A 49 12.161 1.633 1.105 1.00 50.00 C -ATOM 812 CD2 PHE A 49 13.946 1.108 2.554 1.00 50.00 C -ATOM 813 CE1 PHE A 49 12.759 2.827 0.752 1.00 50.00 C -ATOM 814 CE2 PHE A 49 14.561 2.283 2.220 1.00 50.00 C -ATOM 815 CZ PHE A 49 13.979 3.136 1.306 1.00 50.00 C -ATOM 816 H PHE A 49 12.687 -0.137 5.120 1.00 50.00 H -ATOM 817 HA PHE A 49 10.307 0.341 3.356 1.00 50.00 H -ATOM 818 1HB PHE A 49 12.809 -1.276 2.657 1.00 50.00 H -ATOM 819 2HB PHE A 49 11.474 -0.899 1.581 1.00 50.00 H -ATOM 820 HD1 PHE A 49 11.195 1.372 0.672 1.00 50.00 H -ATOM 821 HD2 PHE A 49 14.410 0.436 3.277 1.00 50.00 H -ATOM 822 HE1 PHE A 49 12.263 3.497 0.050 1.00 50.00 H -ATOM 823 HE2 PHE A 49 15.515 2.544 2.678 1.00 50.00 H -ATOM 824 HZ PHE A 49 14.490 4.055 1.023 1.00 50.00 H -ATOM 825 N THR A 50 11.132 -2.454 4.835 1.00 50.00 N -ATOM 826 CA THR A 50 10.706 -3.817 5.021 1.00 50.00 C -ATOM 827 C THR A 50 9.472 -3.996 5.952 1.00 50.00 C -ATOM 828 O THR A 50 8.894 -5.071 5.971 1.00 50.00 O -ATOM 829 CB THR A 50 11.825 -4.683 5.550 1.00 50.00 C -ATOM 830 OG1 THR A 50 12.318 -4.100 6.747 1.00 50.00 O -ATOM 831 CG2 THR A 50 12.941 -4.883 4.467 1.00 50.00 C -ATOM 832 H THR A 50 11.946 -2.121 5.331 1.00 50.00 H -ATOM 833 HA THR A 50 10.396 -4.217 4.055 1.00 50.00 H -ATOM 834 HB THR A 50 11.428 -5.658 5.833 1.00 50.00 H -ATOM 835 HG1 THR A 50 11.827 -3.297 6.937 1.00 50.00 H -ATOM 836 1HG2 THR A 50 13.734 -5.510 4.873 1.00 50.00 H -ATOM 837 2HG2 THR A 50 12.513 -5.363 3.588 1.00 50.00 H -ATOM 838 3HG2 THR A 50 13.353 -3.915 4.186 1.00 50.00 H -ATOM 839 N HIS A 51 9.049 -2.926 6.651 1.00 0.00 N -ATOM 840 CA HIS A 51 7.741 -2.870 7.294 1.00 0.00 C -ATOM 841 C HIS A 51 6.588 -3.247 6.285 1.00 0.00 C -ATOM 842 O HIS A 51 5.570 -3.901 6.646 1.00 0.00 O -ATOM 843 CB HIS A 51 7.504 -1.498 7.935 1.00 0.00 C -ATOM 844 CG HIS A 51 7.517 -0.368 6.944 1.00 0.00 C -ATOM 845 ND1 HIS A 51 6.424 -0.058 6.161 1.00 0.00 N -ATOM 846 CD2 HIS A 51 8.527 0.451 6.542 1.00 0.00 C -ATOM 847 CE1 HIS A 51 6.751 0.937 5.347 1.00 0.00 C -ATOM 848 NE2 HIS A 51 8.020 1.270 5.563 1.00 0.00 N -ATOM 849 H HIS A 51 9.670 -2.133 6.729 1.00 0.00 H -ATOM 850 HA HIS A 51 7.690 -3.621 8.082 1.00 0.00 H -ATOM 851 1HB HIS A 51 6.541 -1.497 8.447 1.00 0.00 H -ATOM 852 2HB HIS A 51 8.273 -1.309 8.684 1.00 0.00 H -ATOM 853 HD2 HIS A 51 9.541 0.473 6.943 1.00 0.00 H -ATOM 854 HE1 HIS A 51 6.091 1.408 4.619 1.00 0.00 H -ATOM 855 HE2 HIS A 51 8.528 2.003 5.088 1.00 0.00 H -ATOM 856 N ALA A 52 6.782 -2.920 5.009 1.00 50.00 N -ATOM 857 CA ALA A 52 5.792 -3.225 3.980 1.00 50.00 C -ATOM 858 C ALA A 52 5.590 -4.714 3.606 1.00 50.00 C -ATOM 859 O ALA A 52 4.541 -5.065 3.031 1.00 50.00 O -ATOM 860 CB ALA A 52 6.049 -2.411 2.723 1.00 50.00 C -ATOM 861 H ALA A 52 7.636 -2.449 4.746 1.00 50.00 H -ATOM 862 HA ALA A 52 4.808 -2.964 4.369 1.00 50.00 H -ATOM 863 1HB ALA A 52 5.299 -2.656 1.971 1.00 50.00 H -ATOM 864 2HB ALA A 52 5.992 -1.348 2.960 1.00 50.00 H -ATOM 865 3HB ALA A 52 7.040 -2.644 2.336 1.00 50.00 H -ATOM 866 N LEU A 53 6.529 -5.558 4.020 1.00 50.00 N -ATOM 867 CA LEU A 53 6.582 -7.007 3.685 1.00 50.00 C -ATOM 868 C LEU A 53 5.914 -7.919 4.703 1.00 50.00 C -ATOM 869 O LEU A 53 5.790 -9.103 4.459 1.00 50.00 O -ATOM 870 CB LEU A 53 8.027 -7.472 3.539 1.00 50.00 C -ATOM 871 CG LEU A 53 8.813 -6.760 2.419 1.00 50.00 C -ATOM 872 CD1 LEU A 53 10.205 -7.351 2.326 1.00 50.00 C -ATOM 873 CD2 LEU A 53 8.133 -6.877 1.051 1.00 50.00 C -ATOM 874 H LEU A 53 7.250 -5.162 4.605 1.00 50.00 H -ATOM 875 HA LEU A 53 6.070 -7.161 2.736 1.00 50.00 H -ATOM 876 1HB LEU A 53 8.543 -7.303 4.483 1.00 50.00 H -ATOM 877 2HB LEU A 53 8.029 -8.543 3.334 1.00 50.00 H -ATOM 878 HG LEU A 53 8.904 -5.700 2.656 1.00 50.00 H -ATOM 879 1HD1 LEU A 53 10.762 -6.848 1.535 1.00 50.00 H -ATOM 880 2HD1 LEU A 53 10.723 -7.214 3.276 1.00 50.00 H -ATOM 881 3HD1 LEU A 53 10.134 -8.414 2.100 1.00 50.00 H -ATOM 882 1HD2 LEU A 53 8.731 -6.357 0.302 1.00 50.00 H -ATOM 883 2HD2 LEU A 53 8.044 -7.929 0.778 1.00 50.00 H -ATOM 884 3HD2 LEU A 53 7.140 -6.429 1.099 1.00 50.00 H -ATOM 885 N MET A 54 5.496 -7.350 5.850 1.00 50.00 N -ATOM 886 CA MET A 54 4.912 -8.104 6.959 1.00 50.00 C -ATOM 887 C MET A 54 3.380 -7.945 6.943 1.00 50.00 C -ATOM 888 O MET A 54 2.852 -6.845 6.774 1.00 50.00 O -ATOM 889 CB MET A 54 5.435 -7.523 8.256 1.00 50.00 C -ATOM 890 CG MET A 54 6.837 -7.941 8.549 1.00 50.00 C -ATOM 891 SD MET A 54 7.442 -7.388 10.143 1.00 50.00 S -ATOM 892 CE MET A 54 7.632 -5.641 9.703 1.00 50.00 C -ATOM 893 H MET A 54 5.597 -6.349 5.935 1.00 50.00 H -ATOM 894 HA MET A 54 5.223 -9.145 6.871 1.00 50.00 H -ATOM 895 1HB MET A 54 5.396 -6.436 8.209 1.00 50.00 H -ATOM 896 2HB MET A 54 4.795 -7.839 9.081 1.00 50.00 H -ATOM 897 1HG MET A 54 6.905 -9.028 8.526 1.00 50.00 H -ATOM 898 2HG MET A 54 7.503 -7.542 7.784 1.00 50.00 H -ATOM 899 1HE MET A 54 8.007 -5.087 10.564 1.00 50.00 H -ATOM 900 2HE MET A 54 8.337 -5.548 8.876 1.00 50.00 H -ATOM 901 3HE MET A 54 6.666 -5.234 9.403 1.00 50.00 H -ATOM 902 N HIS A 55 2.666 -9.061 7.105 1.00 0.00 N -ATOM 903 CA HIS A 55 1.254 -9.038 7.304 1.00 0.00 C -ATOM 904 C HIS A 55 0.831 -9.784 8.557 1.00 0.00 C -ATOM 905 O HIS A 55 1.398 -10.773 8.900 1.00 0.00 O -ATOM 906 CB HIS A 55 0.535 -9.569 6.072 1.00 0.00 C -ATOM 907 CG HIS A 55 0.784 -8.753 4.859 1.00 0.00 C -ATOM 908 ND1 HIS A 55 1.853 -8.987 4.009 1.00 0.00 N -ATOM 909 CD2 HIS A 55 0.139 -7.670 4.372 1.00 0.00 C -ATOM 910 CE1 HIS A 55 1.832 -8.100 3.037 1.00 0.00 C -ATOM 911 NE2 HIS A 55 0.810 -7.282 3.234 1.00 0.00 N -ATOM 912 H HIS A 55 3.146 -9.950 7.085 1.00 0.00 H -ATOM 913 HA HIS A 55 0.927 -8.012 7.472 1.00 0.00 H -ATOM 914 1HB HIS A 55 0.857 -10.592 5.875 1.00 0.00 H -ATOM 915 2HB HIS A 55 -0.538 -9.594 6.260 1.00 0.00 H -ATOM 916 HD2 HIS A 55 -0.745 -7.194 4.796 1.00 0.00 H -ATOM 917 HE1 HIS A 55 2.537 -8.046 2.208 1.00 0.00 H -ATOM 918 HE2 HIS A 55 0.558 -6.499 2.648 1.00 0.00 H -ATOM 919 N PHE A 56 -0.227 -9.292 9.206 1.00 50.00 N -ATOM 920 CA PHE A 56 -0.711 -9.842 10.479 1.00 50.00 C -ATOM 921 C PHE A 56 -1.897 -10.718 10.371 1.00 50.00 C -ATOM 922 O PHE A 56 -2.249 -11.358 11.320 1.00 50.00 O -ATOM 923 CB PHE A 56 -1.002 -8.694 11.442 1.00 50.00 C -ATOM 924 CG PHE A 56 0.162 -7.772 11.593 1.00 50.00 C -ATOM 925 CD1 PHE A 56 1.375 -8.261 12.121 1.00 50.00 C -ATOM 926 CD2 PHE A 56 0.082 -6.442 11.221 1.00 50.00 C -ATOM 927 CE1 PHE A 56 2.491 -7.431 12.241 1.00 50.00 C -ATOM 928 CE2 PHE A 56 1.194 -5.596 11.362 1.00 50.00 C -ATOM 929 CZ PHE A 56 2.407 -6.103 11.840 1.00 50.00 C -ATOM 930 H PHE A 56 -0.710 -8.506 8.795 1.00 50.00 H -ATOM 931 HA PHE A 56 0.069 -10.477 10.901 1.00 50.00 H -ATOM 932 1HB PHE A 56 -1.859 -8.126 11.082 1.00 50.00 H -ATOM 933 2HB PHE A 56 -1.264 -9.097 12.420 1.00 50.00 H -ATOM 934 HD1 PHE A 56 1.436 -9.303 12.438 1.00 50.00 H -ATOM 935 HD2 PHE A 56 -0.862 -6.043 10.848 1.00 50.00 H -ATOM 936 HE1 PHE A 56 3.422 -7.826 12.647 1.00 50.00 H -ATOM 937 HE2 PHE A 56 1.111 -4.542 11.099 1.00 50.00 H -ATOM 938 HZ PHE A 56 3.283 -5.458 11.899 1.00 50.00 H -ATOM 939 N SER A 57 -2.510 -10.759 9.197 1.00 50.00 N -ATOM 940 CA SER A 57 -3.650 -11.577 8.950 1.00 50.00 C -ATOM 941 C SER A 57 -3.662 -12.062 7.482 1.00 50.00 C -ATOM 942 O SER A 57 -3.208 -11.379 6.569 1.00 50.00 O -ATOM 943 CB SER A 57 -4.950 -10.814 9.280 1.00 50.00 C -ATOM 944 OG SER A 57 -5.333 -9.979 8.196 1.00 50.00 O -ATOM 945 H SER A 57 -2.147 -10.183 8.451 1.00 50.00 H -ATOM 946 HA SER A 57 -3.591 -12.456 9.593 1.00 50.00 H -ATOM 947 1HB SER A 57 -5.746 -11.527 9.495 1.00 50.00 H -ATOM 948 2HB SER A 57 -4.801 -10.211 10.175 1.00 50.00 H -ATOM 949 HG SER A 57 -4.667 -10.106 7.516 1.00 50.00 H -ATOM 950 N LEU A 58 -4.222 -13.261 7.313 1.00 50.00 N -ATOM 951 CA LEU A 58 -4.440 -13.937 6.075 1.00 50.00 C -ATOM 952 C LEU A 58 -5.305 -13.120 5.123 1.00 50.00 C -ATOM 953 O LEU A 58 -5.037 -13.004 3.919 1.00 50.00 O -ATOM 954 CB LEU A 58 -5.157 -15.251 6.424 1.00 50.00 C -ATOM 955 CG LEU A 58 -5.603 -16.081 5.255 1.00 50.00 C -ATOM 956 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 50.00 C -ATOM 957 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 50.00 C -ATOM 958 H LEU A 58 -4.509 -13.706 8.173 1.00 50.00 H -ATOM 959 HA LEU A 58 -3.473 -14.137 5.615 1.00 50.00 H -ATOM 960 1HB LEU A 58 -4.488 -15.862 7.027 1.00 50.00 H -ATOM 961 2HB LEU A 58 -6.039 -15.018 7.020 1.00 50.00 H -ATOM 962 HG LEU A 58 -6.367 -15.541 4.695 1.00 50.00 H -ATOM 963 1HD1 LEU A 58 -4.666 -16.883 3.494 1.00 50.00 H -ATOM 964 2HD1 LEU A 58 -4.016 -15.314 4.023 1.00 50.00 H -ATOM 965 3HD1 LEU A 58 -3.603 -16.796 4.918 1.00 50.00 H -ATOM 966 1HD2 LEU A 58 -6.508 -18.009 4.906 1.00 50.00 H -ATOM 967 2HD2 LEU A 58 -5.421 -17.952 6.315 1.00 50.00 H -ATOM 968 3HD2 LEU A 58 -7.037 -17.211 6.407 1.00 50.00 H -ATOM 969 N MET A 59 -6.373 -12.548 5.675 1.00 50.00 N -ATOM 970 CA MET A 59 -7.308 -11.761 4.880 1.00 50.00 C -ATOM 971 C MET A 59 -6.560 -10.569 4.225 1.00 50.00 C -ATOM 972 O MET A 59 -6.691 -10.363 3.019 1.00 50.00 O -ATOM 973 CB MET A 59 -8.523 -11.430 5.759 1.00 50.00 C -ATOM 974 CG MET A 59 -9.218 -10.121 5.496 1.00 50.00 C -ATOM 975 SD MET A 59 -11.005 -10.356 5.575 1.00 50.00 S -ATOM 976 CE MET A 59 -11.425 -8.654 5.217 1.00 50.00 C -ATOM 977 H MET A 59 -6.541 -12.660 6.665 1.00 50.00 H -ATOM 978 HA MET A 59 -7.624 -12.359 4.025 1.00 50.00 H -ATOM 979 1HB MET A 59 -9.276 -12.209 5.646 1.00 50.00 H -ATOM 980 2HB MET A 59 -8.221 -11.416 6.807 1.00 50.00 H -ATOM 981 1HG MET A 59 -8.905 -9.388 6.239 1.00 50.00 H -ATOM 982 2HG MET A 59 -8.935 -9.750 4.511 1.00 50.00 H -ATOM 983 1HE MET A 59 -12.509 -8.540 5.210 1.00 50.00 H -ATOM 984 2HE MET A 59 -10.996 -8.005 5.981 1.00 50.00 H -ATOM 985 3HE MET A 59 -11.025 -8.378 4.241 1.00 50.00 H -ATOM 986 N HIS A 60 -5.695 -9.889 4.997 1.00 50.00 N -ATOM 987 CA HIS A 60 -4.974 -8.715 4.526 1.00 50.00 C -ATOM 988 C HIS A 60 -3.843 -9.014 3.529 1.00 50.00 C -ATOM 989 O HIS A 60 -3.701 -8.288 2.529 1.00 50.00 O -ATOM 990 CB HIS A 60 -4.508 -7.895 5.711 1.00 50.00 C -ATOM 991 CG HIS A 60 -5.634 -7.181 6.391 1.00 50.00 C -ATOM 992 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 50.00 N -ATOM 993 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.00 C -ATOM 994 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 50.00 C -ATOM 995 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 50.00 N -ATOM 996 H HIS A 60 -5.545 -10.212 5.942 1.00 50.00 H -ATOM 997 HA HIS A 60 -5.637 -8.100 3.918 1.00 50.00 H -ATOM 998 1HB HIS A 60 -4.016 -8.547 6.434 1.00 50.00 H -ATOM 999 2HB HIS A 60 -3.774 -7.161 5.379 1.00 50.00 H -ATOM 1000 HD2 HIS A 60 -7.461 -7.798 5.376 1.00 50.00 H -ATOM 1001 HE1 HIS A 60 -6.808 -5.108 8.608 1.00 50.00 H -ATOM 1002 HE2 HIS A 60 -8.559 -6.188 7.104 1.00 50.00 H -ATOM 1003 N ILE A 61 -3.091 -10.099 3.751 1.00 50.00 N -ATOM 1004 CA ILE A 61 -2.113 -10.496 2.771 1.00 50.00 C -ATOM 1005 C ILE A 61 -2.781 -10.809 1.441 1.00 50.00 C -ATOM 1006 O ILE A 61 -2.318 -10.388 0.390 1.00 50.00 O -ATOM 1007 CB ILE A 61 -1.111 -11.537 3.263 1.00 50.00 C -ATOM 1008 CG1 ILE A 61 0.061 -11.627 2.257 1.00 50.00 C -ATOM 1009 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 50.00 C -ATOM 1010 CD1 ILE A 61 1.176 -12.566 2.673 1.00 50.00 C -ATOM 1011 H ILE A 61 -3.194 -10.647 4.593 1.00 50.00 H -ATOM 1012 HA ILE A 61 -1.536 -9.618 2.483 1.00 50.00 H -ATOM 1013 HB ILE A 61 -0.683 -11.211 4.210 1.00 50.00 H -ATOM 1014 1HG1 ILE A 61 -0.314 -11.961 1.290 1.00 50.00 H -ATOM 1015 2HG1 ILE A 61 0.495 -10.637 2.114 1.00 50.00 H -ATOM 1016 1HG2 ILE A 61 -0.982 -13.589 3.830 1.00 50.00 H -ATOM 1017 2HG2 ILE A 61 -2.528 -12.805 4.227 1.00 50.00 H -ATOM 1018 3HG2 ILE A 61 -2.163 -13.247 2.543 1.00 50.00 H -ATOM 1019 1HD1 ILE A 61 1.955 -12.567 1.910 1.00 50.00 H -ATOM 1020 2HD1 ILE A 61 1.598 -12.233 3.622 1.00 50.00 H -ATOM 1021 3HD1 ILE A 61 0.779 -13.574 2.786 1.00 50.00 H -ATOM 1022 N LEU A 62 -3.914 -11.488 1.482 1.00 50.00 N -ATOM 1023 CA LEU A 62 -4.606 -11.907 0.265 1.00 50.00 C -ATOM 1024 C LEU A 62 -5.147 -10.730 -0.501 1.00 50.00 C -ATOM 1025 O LEU A 62 -4.910 -10.610 -1.683 1.00 50.00 O -ATOM 1026 CB LEU A 62 -5.701 -12.923 0.561 1.00 50.00 C -ATOM 1027 CG LEU A 62 -5.189 -14.344 0.883 1.00 50.00 C -ATOM 1028 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 50.00 C -ATOM 1029 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 50.00 C -ATOM 1030 H LEU A 62 -4.312 -11.723 2.380 1.00 50.00 H -ATOM 1031 HA LEU A 62 -3.882 -12.376 -0.401 1.00 50.00 H -ATOM 1032 1HB LEU A 62 -6.283 -12.569 1.410 1.00 50.00 H -ATOM 1033 2HB LEU A 62 -6.361 -12.985 -0.304 1.00 50.00 H -ATOM 1034 HG LEU A 62 -4.365 -14.281 1.594 1.00 50.00 H -ATOM 1035 1HD1 LEU A 62 -5.878 -16.186 1.776 1.00 50.00 H -ATOM 1036 2HD1 LEU A 62 -6.575 -14.716 2.497 1.00 50.00 H -ATOM 1037 3HD1 LEU A 62 -7.135 -15.278 0.904 1.00 50.00 H -ATOM 1038 1HD2 LEU A 62 -4.339 -16.046 -0.116 1.00 50.00 H -ATOM 1039 2HD2 LEU A 62 -5.510 -15.128 -1.092 1.00 50.00 H -ATOM 1040 3HD2 LEU A 62 -3.878 -14.475 -0.815 1.00 50.00 H -ATOM 1041 N PHE A 63 -5.844 -9.823 0.181 1.00 50.00 N -ATOM 1042 CA PHE A 63 -6.359 -8.625 -0.503 1.00 50.00 C -ATOM 1043 C PHE A 63 -5.232 -7.716 -0.996 1.00 50.00 C -ATOM 1044 O PHE A 63 -5.305 -7.258 -2.126 1.00 50.00 O -ATOM 1045 CB PHE A 63 -7.398 -7.870 0.332 1.00 50.00 C -ATOM 1046 CG PHE A 63 -8.748 -8.516 0.249 1.00 50.00 C -ATOM 1047 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 50.00 C -ATOM 1048 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 50.00 C -ATOM 1049 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 50.00 C -ATOM 1050 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 50.00 C -ATOM 1051 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 50.00 C -ATOM 1052 H PHE A 63 -6.027 -9.943 1.167 1.00 50.00 H -ATOM 1053 HA PHE A 63 -6.844 -8.937 -1.429 1.00 50.00 H -ATOM 1054 1HB PHE A 63 -7.076 -7.840 1.372 1.00 50.00 H -ATOM 1055 2HB PHE A 63 -7.468 -6.841 -0.019 1.00 50.00 H -ATOM 1056 HD1 PHE A 63 -9.066 -7.894 -1.792 1.00 50.00 H -ATOM 1057 HD2 PHE A 63 -8.703 -9.363 2.222 1.00 50.00 H -ATOM 1058 HE1 PHE A 63 -11.237 -9.033 -2.032 1.00 50.00 H -ATOM 1059 HE2 PHE A 63 -10.880 -10.513 1.964 1.00 50.00 H -ATOM 1060 HZ PHE A 63 -12.137 -10.360 -0.144 1.00 50.00 H -ATOM 1061 N ASN A 64 -4.226 -7.450 -0.147 1.00 50.00 N -ATOM 1062 CA ASN A 64 -3.081 -6.582 -0.482 1.00 50.00 C -ATOM 1063 C ASN A 64 -2.413 -7.178 -1.754 1.00 50.00 C -ATOM 1064 O ASN A 64 -2.132 -6.484 -2.718 1.00 50.00 O -ATOM 1065 CB ASN A 64 -2.056 -6.410 0.690 1.00 50.00 C -ATOM 1066 CG ASN A 64 -2.585 -5.576 1.867 1.00 50.00 C -ATOM 1067 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 50.00 O -ATOM 1068 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 50.00 N -ATOM 1069 H ASN A 64 -4.270 -7.875 0.768 1.00 50.00 H -ATOM 1070 HA ASN A 64 -3.460 -5.588 -0.724 1.00 50.00 H -ATOM 1071 1HB ASN A 64 -1.772 -7.391 1.072 1.00 50.00 H -ATOM 1072 2HB ASN A 64 -1.152 -5.930 0.315 1.00 50.00 H -ATOM 1073 1HD2 ASN A 64 -4.168 -4.414 2.267 1.00 50.00 H -ATOM 1074 2HD2 ASN A 64 -4.133 -5.112 0.682 1.00 50.00 H -ATOM 1075 N LEU A 65 -2.201 -8.490 -1.782 1.00 50.00 N -ATOM 1076 CA LEU A 65 -1.495 -9.075 -2.901 1.00 50.00 C -ATOM 1077 C LEU A 65 -2.323 -9.128 -4.148 1.00 50.00 C -ATOM 1078 O LEU A 65 -1.755 -9.107 -5.242 1.00 50.00 O -ATOM 1079 CB LEU A 65 -0.840 -10.395 -2.562 1.00 50.00 C -ATOM 1080 CG LEU A 65 0.385 -10.374 -1.655 1.00 50.00 C -ATOM 1081 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 50.00 C -ATOM 1082 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 50.00 C -ATOM 1083 H LEU A 65 -2.523 -9.090 -1.036 1.00 50.00 H -ATOM 1084 HA LEU A 65 -0.706 -8.389 -3.209 1.00 50.00 H -ATOM 1085 1HB LEU A 65 -1.575 -11.032 -2.073 1.00 50.00 H -ATOM 1086 2HB LEU A 65 -0.530 -10.878 -3.489 1.00 50.00 H -ATOM 1087 HG LEU A 65 0.090 -10.063 -0.652 1.00 50.00 H -ATOM 1088 1HD1 LEU A 65 1.901 -11.665 -0.878 1.00 50.00 H -ATOM 1089 2HD1 LEU A 65 0.317 -12.441 -1.116 1.00 50.00 H -ATOM 1090 3HD1 LEU A 65 1.349 -12.074 -2.519 1.00 50.00 H -ATOM 1091 1HD2 LEU A 65 2.306 -9.504 -1.375 1.00 50.00 H -ATOM 1092 2HD2 LEU A 65 1.834 -9.734 -3.075 1.00 50.00 H -ATOM 1093 3HD2 LEU A 65 1.101 -8.425 -2.118 1.00 50.00 H -ATOM 1094 N LEU A 66 -3.649 -9.218 -3.996 1.00 50.00 N -ATOM 1095 CA LEU A 66 -4.565 -9.256 -5.122 1.00 50.00 C -ATOM 1096 C LEU A 66 -4.475 -7.927 -5.871 1.00 50.00 C -ATOM 1097 O LEU A 66 -4.303 -7.889 -7.102 1.00 50.00 O -ATOM 1098 CB LEU A 66 -6.012 -9.479 -4.623 1.00 50.00 C -ATOM 1099 CG LEU A 66 -7.060 -9.502 -5.763 1.00 50.00 C -ATOM 1100 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 50.00 C -ATOM 1101 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 50.00 C -ATOM 1102 H LEU A 66 -4.021 -9.261 -3.058 1.00 50.00 H -ATOM 1103 HA LEU A 66 -4.284 -10.087 -5.768 1.00 50.00 H -ATOM 1104 1HB LEU A 66 -6.053 -10.426 -4.088 1.00 50.00 H -ATOM 1105 2HB LEU A 66 -6.266 -8.681 -3.926 1.00 50.00 H -ATOM 1106 HG LEU A 66 -6.882 -8.664 -6.438 1.00 50.00 H -ATOM 1107 1HD1 LEU A 66 -7.621 -10.698 -7.471 1.00 50.00 H -ATOM 1108 2HD1 LEU A 66 -5.875 -10.680 -7.131 1.00 50.00 H -ATOM 1109 3HD1 LEU A 66 -6.972 -11.632 -6.103 1.00 50.00 H -ATOM 1110 1HD2 LEU A 66 -9.201 -9.410 -6.077 1.00 50.00 H -ATOM 1111 2HD2 LEU A 66 -8.716 -10.227 -4.571 1.00 50.00 H -ATOM 1112 3HD2 LEU A 66 -8.622 -8.454 -4.691 1.00 50.00 H -ATOM 1113 N TRP A 67 -4.609 -6.842 -5.110 1.00 50.00 N -ATOM 1114 CA TRP A 67 -4.509 -5.474 -5.597 1.00 50.00 C -ATOM 1115 C TRP A 67 -3.137 -5.141 -6.165 1.00 50.00 C -ATOM 1116 O TRP A 67 -3.056 -4.540 -7.211 1.00 50.00 O -ATOM 1117 CB TRP A 67 -4.807 -4.482 -4.461 1.00 50.00 C -ATOM 1118 CG TRP A 67 -6.264 -4.263 -4.178 1.00 50.00 C -ATOM 1119 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 50.00 C -ATOM 1120 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 50.00 C -ATOM 1121 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 50.00 N -ATOM 1122 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 50.00 C -ATOM 1123 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 50.00 C -ATOM 1124 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 50.00 C -ATOM 1125 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 50.00 C -ATOM 1126 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 50.00 C -ATOM 1127 H TRP A 67 -4.792 -7.003 -4.130 1.00 50.00 H -ATOM 1128 HA TRP A 67 -5.246 -5.334 -6.387 1.00 50.00 H -ATOM 1129 1HB TRP A 67 -4.342 -4.833 -3.540 1.00 50.00 H -ATOM 1130 2HB TRP A 67 -4.369 -3.513 -4.700 1.00 50.00 H -ATOM 1131 HD1 TRP A 67 -6.458 -4.894 -2.092 1.00 50.00 H -ATOM 1132 HE1 TRP A 67 -8.906 -4.155 -2.343 1.00 50.00 H -ATOM 1133 HE3 TRP A 67 -6.239 -3.252 -6.941 1.00 50.00 H -ATOM 1134 HZ2 TRP A 67 -10.570 -3.082 -4.354 1.00 50.00 H -ATOM 1135 HZ3 TRP A 67 -8.281 -2.410 -7.994 1.00 50.00 H -ATOM 1136 HH2 TRP A 67 -10.456 -2.314 -6.701 1.00 50.00 H -ATOM 1137 N TRP A 68 -2.074 -5.507 -5.428 1.00 50.00 N -ATOM 1138 CA TRP A 68 -0.684 -5.403 -5.896 1.00 50.00 C -ATOM 1139 C TRP A 68 -0.506 -6.150 -7.231 1.00 50.00 C -ATOM 1140 O TRP A 68 0.033 -5.587 -8.198 1.00 50.00 O -ATOM 1141 CB TRP A 68 0.307 -5.939 -4.845 1.00 50.00 C -ATOM 1142 CG TRP A 68 1.683 -6.189 -5.425 1.00 50.00 C -ATOM 1143 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 50.00 C -ATOM 1144 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 50.00 C -ATOM 1145 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 50.00 N -ATOM 1146 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 50.00 C -ATOM 1147 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 50.00 C -ATOM 1148 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 50.00 C -ATOM 1149 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 50.00 C -ATOM 1150 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 50.00 C -ATOM 1151 H TRP A 68 -2.256 -5.872 -4.504 1.00 50.00 H -ATOM 1152 HA TRP A 68 -0.456 -4.352 -6.073 1.00 50.00 H -ATOM 1153 1HB TRP A 68 0.393 -5.223 -4.027 1.00 50.00 H -ATOM 1154 2HB TRP A 68 -0.075 -6.870 -4.426 1.00 50.00 H -ATOM 1155 HD1 TRP A 68 1.602 -8.306 -5.964 1.00 50.00 H -ATOM 1156 HE1 TRP A 68 4.001 -7.932 -6.796 1.00 50.00 H -ATOM 1157 HE3 TRP A 68 2.016 -3.343 -4.804 1.00 50.00 H -ATOM 1158 HZ2 TRP A 68 5.838 -5.794 -7.037 1.00 50.00 H -ATOM 1159 HZ3 TRP A 68 4.170 -2.174 -5.314 1.00 50.00 H -ATOM 1160 HH2 TRP A 68 6.092 -3.428 -6.371 1.00 50.00 H -ATOM 1161 N TRP A 69 -1.002 -7.391 -7.304 1.00 50.00 N -ATOM 1162 CA TRP A 69 -0.870 -8.160 -8.518 1.00 50.00 C -ATOM 1163 C TRP A 69 -1.571 -7.457 -9.705 1.00 50.00 C -ATOM 1164 O TRP A 69 -1.031 -7.390 -10.809 1.00 50.00 O -ATOM 1165 CB TRP A 69 -1.416 -9.593 -8.306 1.00 50.00 C -ATOM 1166 CG TRP A 69 -1.374 -10.564 -9.511 1.00 50.00 C -ATOM 1167 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 50.00 C -ATOM 1168 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 50.00 C -ATOM 1169 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 50.00 N -ATOM 1170 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 50.00 C -ATOM 1171 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 50.00 C -ATOM 1172 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 50.00 C -ATOM 1173 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 50.00 C -ATOM 1174 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 50.00 C -ATOM 1175 H TRP A 69 -1.473 -7.801 -6.511 1.00 50.00 H -ATOM 1176 HA TRP A 69 0.187 -8.222 -8.775 1.00 50.00 H -ATOM 1177 1HB TRP A 69 -0.859 -10.080 -7.506 1.00 50.00 H -ATOM 1178 2HB TRP A 69 -2.459 -9.542 -7.995 1.00 50.00 H -ATOM 1179 HD1 TRP A 69 0.632 -10.281 -10.299 1.00 50.00 H -ATOM 1180 HE1 TRP A 69 -0.052 -12.054 -12.035 1.00 50.00 H -ATOM 1181 HE3 TRP A 69 -4.104 -11.198 -8.598 1.00 50.00 H -ATOM 1182 HZ2 TRP A 69 -2.312 -13.646 -12.611 1.00 50.00 H -ATOM 1183 HZ3 TRP A 69 -5.476 -12.914 -9.773 1.00 50.00 H -ATOM 1184 HH2 TRP A 69 -4.576 -14.107 -11.781 1.00 50.00 H -ATOM 1185 N TYR A 70 -2.787 -6.964 -9.464 1.00 50.00 N -ATOM 1186 CA TYR A 70 -3.541 -6.281 -10.513 1.00 50.00 C -ATOM 1187 C TYR A 70 -2.980 -4.906 -10.908 1.00 50.00 C -ATOM 1188 O TYR A 70 -2.765 -4.629 -12.081 1.00 50.00 O -ATOM 1189 CB TYR A 70 -5.022 -6.142 -10.124 1.00 50.00 C -ATOM 1190 CG TYR A 70 -5.914 -5.699 -11.259 1.00 50.00 C -ATOM 1191 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 50.00 C -ATOM 1192 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 50.00 C -ATOM 1193 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 50.00 C -ATOM 1194 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 50.00 C -ATOM 1195 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 50.00 C -ATOM 1196 OH TYR A 70 -8.328 -4.351 -14.399 1.00 50.00 O -ATOM 1197 H TYR A 70 -3.198 -7.061 -8.546 1.00 50.00 H -ATOM 1198 HA TYR A 70 -3.479 -6.874 -11.426 1.00 50.00 H -ATOM 1199 1HB TYR A 70 -5.393 -7.099 -9.755 1.00 50.00 H -ATOM 1200 2HB TYR A 70 -5.119 -5.419 -9.315 1.00 50.00 H -ATOM 1201 HD1 TYR A 70 -5.897 -7.593 -12.288 1.00 50.00 H -ATOM 1202 HD2 TYR A 70 -6.119 -3.690 -10.531 1.00 50.00 H -ATOM 1203 HE1 TYR A 70 -7.321 -6.837 -14.154 1.00 50.00 H -ATOM 1204 HE2 TYR A 70 -7.497 -2.918 -12.414 1.00 50.00 H -ATOM 1205 HH TYR A 70 -8.539 -3.429 -14.231 1.00 50.00 H -ATOM 1206 N LEU A 71 -2.779 -4.023 -9.932 1.00 50.00 N -ATOM 1207 CA LEU A 71 -2.412 -2.664 -10.245 1.00 50.00 C -ATOM 1208 C LEU A 71 -0.920 -2.594 -10.467 1.00 50.00 C -ATOM 1209 O LEU A 71 -0.466 -2.058 -11.483 1.00 50.00 O -ATOM 1210 CB LEU A 71 -2.796 -1.715 -9.133 1.00 50.00 C -ATOM 1211 CG LEU A 71 -4.263 -1.596 -8.751 1.00 50.00 C -ATOM 1212 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 50.00 C -ATOM 1213 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 50.00 C -ATOM 1214 H LEU A 71 -2.881 -4.295 -8.965 1.00 50.00 H -ATOM 1215 HA LEU A 71 -2.943 -2.362 -11.147 1.00 50.00 H -ATOM 1216 1HB LEU A 71 -2.270 -2.011 -8.227 1.00 50.00 H -ATOM 1217 2HB LEU A 71 -2.471 -0.711 -9.405 1.00 50.00 H -ATOM 1218 HG LEU A 71 -4.650 -2.579 -8.482 1.00 50.00 H -ATOM 1219 1HD1 LEU A 71 -5.427 -0.542 -7.326 1.00 50.00 H -ATOM 1220 2HD1 LEU A 71 -3.805 -1.010 -6.765 1.00 50.00 H -ATOM 1221 3HD1 LEU A 71 -3.995 0.334 -7.915 1.00 50.00 H -ATOM 1222 1HD2 LEU A 71 -6.130 -0.978 -9.599 1.00 50.00 H -ATOM 1223 2HD2 LEU A 71 -4.716 -0.062 -10.175 1.00 50.00 H -ATOM 1224 3HD2 LEU A 71 -5.001 -1.720 -10.757 1.00 50.00 H -ATOM 1225 N GLY A 72 -0.166 -3.164 -9.517 1.00 50.00 N -ATOM 1226 CA GLY A 72 1.262 -3.426 -9.682 1.00 50.00 C -ATOM 1227 C GLY A 72 1.555 -3.981 -11.053 1.00 50.00 C -ATOM 1228 O GLY A 72 2.328 -3.428 -11.762 1.00 50.00 O -ATOM 1229 H GLY A 72 -0.616 -3.421 -8.650 1.00 50.00 H -ATOM 1230 1HA GLY A 72 1.821 -2.503 -9.530 1.00 50.00 H -ATOM 1231 2HA GLY A 72 1.593 -4.131 -8.920 1.00 50.00 H -ATOM 1232 N GLY A 73 0.899 -5.076 -11.431 1.00 50.00 N -ATOM 1233 CA GLY A 73 1.183 -5.761 -12.689 1.00 50.00 C -ATOM 1234 C GLY A 73 0.863 -4.924 -13.929 1.00 50.00 C -ATOM 1235 O GLY A 73 1.577 -4.950 -14.946 1.00 50.00 O -ATOM 1236 H GLY A 73 0.180 -5.442 -10.823 1.00 50.00 H -ATOM 1237 1HA GLY A 73 2.237 -6.038 -12.723 1.00 50.00 H -ATOM 1238 2HA GLY A 73 0.607 -6.684 -12.739 1.00 50.00 H -ATOM 1239 N ALA A 74 -0.222 -4.156 -13.848 1.00 50.00 N -ATOM 1240 CA ALA A 74 -0.574 -3.225 -14.916 1.00 50.00 C -ATOM 1241 C ALA A 74 0.553 -2.170 -15.071 1.00 50.00 C -ATOM 1242 O ALA A 74 1.085 -1.969 -16.141 1.00 50.00 O -ATOM 1243 CB ALA A 74 -1.915 -2.556 -14.604 1.00 50.00 C -ATOM 1244 H ALA A 74 -0.815 -4.217 -13.033 1.00 50.00 H -ATOM 1245 HA ALA A 74 -0.665 -3.792 -15.843 1.00 50.00 H -ATOM 1246 1HB ALA A 74 -2.171 -1.863 -15.405 1.00 50.00 H -ATOM 1247 2HB ALA A 74 -2.691 -3.317 -14.521 1.00 50.00 H -ATOM 1248 3HB ALA A 74 -1.840 -2.012 -13.664 1.00 50.00 H -ATOM 1249 N VAL A 75 0.939 -1.540 -13.966 1.00 0.00 N -ATOM 1250 CA VAL A 75 1.970 -0.536 -14.026 1.00 0.00 C -ATOM 1251 C VAL A 75 3.243 -1.062 -14.684 1.00 0.00 C -ATOM 1252 O VAL A 75 3.753 -0.446 -15.580 1.00 0.00 O -ATOM 1253 CB VAL A 75 2.254 0.087 -12.658 1.00 0.00 C -ATOM 1254 CG1 VAL A 75 3.486 0.986 -12.719 1.00 0.00 C -ATOM 1255 CG2 VAL A 75 1.049 0.891 -12.220 1.00 0.00 C -ATOM 1256 H VAL A 75 0.515 -1.757 -13.075 1.00 0.00 H -ATOM 1257 HA VAL A 75 1.638 0.261 -14.692 1.00 0.00 H -ATOM 1258 HB VAL A 75 2.450 -0.709 -11.940 1.00 0.00 H -ATOM 1259 1HG1 VAL A 75 3.670 1.419 -11.735 1.00 0.00 H -ATOM 1260 2HG1 VAL A 75 4.351 0.397 -13.023 1.00 0.00 H -ATOM 1261 3HG1 VAL A 75 3.318 1.786 -13.440 1.00 0.00 H -ATOM 1262 1HG2 VAL A 75 1.244 1.337 -11.245 1.00 0.00 H -ATOM 1263 2HG2 VAL A 75 0.853 1.679 -12.948 1.00 0.00 H -ATOM 1264 3HG2 VAL A 75 0.180 0.236 -12.151 1.00 0.00 H -ATOM 1265 N GLU A 76 3.757 -2.189 -14.214 1.00 50.00 N -ATOM 1266 CA GLU A 76 4.967 -2.798 -14.773 1.00 50.00 C -ATOM 1267 C GLU A 76 4.820 -3.080 -16.239 1.00 50.00 C -ATOM 1268 O GLU A 76 5.723 -2.765 -17.019 1.00 50.00 O -ATOM 1269 CB GLU A 76 5.337 -4.096 -14.044 1.00 50.00 C -ATOM 1270 CG GLU A 76 6.632 -4.791 -14.477 1.00 50.00 C -ATOM 1271 CD GLU A 76 7.185 -5.661 -13.361 1.00 50.00 C -ATOM 1272 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 50.00 O -ATOM 1273 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 50.00 O -ATOM 1274 H GLU A 76 3.291 -2.641 -13.440 1.00 50.00 H -ATOM 1275 HA GLU A 76 5.794 -2.097 -14.655 1.00 50.00 H -ATOM 1276 1HB GLU A 76 5.434 -3.899 -12.976 1.00 50.00 H -ATOM 1277 2HB GLU A 76 4.537 -4.825 -14.171 1.00 50.00 H -ATOM 1278 1HG GLU A 76 6.427 -5.404 -15.355 1.00 50.00 H -ATOM 1279 2HG GLU A 76 7.362 -4.033 -14.759 1.00 50.00 H -ATOM 1280 N LYS A 77 3.690 -3.673 -16.628 1.00 0.00 N -ATOM 1281 CA LYS A 77 3.480 -4.028 -18.016 1.00 0.00 C -ATOM 1282 C LYS A 77 3.438 -2.795 -18.917 1.00 0.00 C -ATOM 1283 O LYS A 77 4.031 -2.795 -19.967 1.00 0.00 O -ATOM 1284 CB LYS A 77 2.196 -4.861 -18.197 1.00 0.00 C -ATOM 1285 CG LYS A 77 2.086 -5.663 -19.499 1.00 0.00 C -ATOM 1286 CD LYS A 77 3.211 -6.707 -19.726 1.00 0.00 C -ATOM 1287 CE LYS A 77 3.498 -7.673 -18.548 1.00 0.00 C -ATOM 1288 NZ LYS A 77 4.757 -7.414 -17.744 1.00 0.00 N -ATOM 1289 H LYS A 77 2.968 -3.880 -15.953 1.00 0.00 H -ATOM 1290 HA LYS A 77 4.326 -4.630 -18.351 1.00 0.00 H -ATOM 1291 1HB LYS A 77 2.106 -5.574 -17.377 1.00 0.00 H -ATOM 1292 2HB LYS A 77 1.327 -4.204 -18.156 1.00 0.00 H -ATOM 1293 1HG LYS A 77 1.140 -6.205 -19.514 1.00 0.00 H -ATOM 1294 2HG LYS A 77 2.107 -4.981 -20.349 1.00 0.00 H -ATOM 1295 1HD LYS A 77 2.960 -7.332 -20.584 1.00 0.00 H -ATOM 1296 2HD LYS A 77 4.148 -6.192 -19.936 1.00 0.00 H -ATOM 1297 1HE LYS A 77 2.671 -7.639 -17.840 1.00 0.00 H -ATOM 1298 2HE LYS A 77 3.582 -8.692 -18.925 1.00 0.00 H -ATOM 1299 1HZ LYS A 77 4.836 -8.103 -17.010 1.00 0.00 H -ATOM 1300 2HZ LYS A 77 5.563 -7.475 -18.350 1.00 0.00 H -ATOM 1301 3HZ LYS A 77 4.712 -6.491 -17.336 1.00 0.00 H -ATOM 1302 N ARG A 78 2.724 -1.744 -18.516 1.00 0.00 N -ATOM 1303 CA ARG A 78 2.516 -0.640 -19.447 1.00 0.00 C -ATOM 1304 C ARG A 78 3.600 0.440 -19.363 1.00 0.00 C -ATOM 1305 O ARG A 78 3.914 1.051 -20.371 1.00 0.00 O -ATOM 1306 CB ARG A 78 1.120 -0.024 -19.335 1.00 0.00 C -ATOM 1307 CG ARG A 78 -0.022 -0.981 -18.999 1.00 0.00 C -ATOM 1308 CD ARG A 78 -0.717 -1.719 -20.148 1.00 0.00 C -ATOM 1309 NE ARG A 78 -1.292 -3.002 -19.655 1.00 0.00 N -ATOM 1310 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 0.00 C -ATOM 1311 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 0.00 N -ATOM 1312 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 0.00 N -ATOM 1313 H ARG A 78 2.324 -1.689 -17.590 1.00 0.00 H -ATOM 1314 HA ARG A 78 2.626 -1.019 -20.463 1.00 0.00 H -ATOM 1315 1HB ARG A 78 1.123 0.745 -18.563 1.00 0.00 H -ATOM 1316 2HB ARG A 78 0.859 0.459 -20.277 1.00 0.00 H -ATOM 1317 1HG ARG A 78 0.346 -1.770 -18.343 1.00 0.00 H -ATOM 1318 2HG ARG A 78 -0.820 -0.433 -18.496 1.00 0.00 H -ATOM 1319 1HD ARG A 78 -1.518 -1.098 -20.548 1.00 0.00 H -ATOM 1320 2HD ARG A 78 0.006 -1.929 -20.935 1.00 0.00 H -ATOM 1321 HE ARG A 78 -0.852 -3.861 -19.958 1.00 0.00 H -ATOM 1322 1HH1 ARG A 78 -2.771 -1.162 -18.654 1.00 0.00 H -ATOM 1323 2HH1 ARG A 78 -3.831 -2.237 -17.770 1.00 0.00 H -ATOM 1324 1HH2 ARG A 78 -2.229 -5.182 -18.772 1.00 0.00 H -ATOM 1325 2HH2 ARG A 78 -3.529 -4.479 -17.836 1.00 0.00 H -ATOM 1326 N LEU A 79 4.151 0.661 -18.161 1.00 0.00 N -ATOM 1327 CA LEU A 79 5.099 1.744 -17.850 1.00 0.00 C -ATOM 1328 C LEU A 79 6.504 1.244 -17.514 1.00 0.00 C -ATOM 1329 O LEU A 79 7.455 2.023 -17.485 1.00 0.00 O -ATOM 1330 CB LEU A 79 4.572 2.598 -16.671 1.00 0.00 C -ATOM 1331 CG LEU A 79 3.124 3.052 -16.835 1.00 0.00 C -ATOM 1332 CD1 LEU A 79 2.578 3.970 -15.733 1.00 0.00 C -ATOM 1333 CD2 LEU A 79 3.016 3.756 -18.185 1.00 0.00 C -ATOM 1334 H LEU A 79 3.878 0.021 -17.429 1.00 0.00 H -ATOM 1335 HA LEU A 79 5.195 2.382 -18.728 1.00 0.00 H -ATOM 1336 1HB LEU A 79 4.652 2.014 -15.756 1.00 0.00 H -ATOM 1337 2HB LEU A 79 5.204 3.480 -16.571 1.00 0.00 H -ATOM 1338 HG LEU A 79 2.465 2.184 -16.804 1.00 0.00 H -ATOM 1339 1HD1 LEU A 79 1.542 4.228 -15.954 1.00 0.00 H -ATOM 1340 2HD1 LEU A 79 2.626 3.455 -14.773 1.00 0.00 H -ATOM 1341 3HD1 LEU A 79 3.176 4.879 -15.688 1.00 0.00 H -ATOM 1342 1HD2 LEU A 79 1.991 4.095 -18.338 1.00 0.00 H -ATOM 1343 2HD2 LEU A 79 3.688 4.614 -18.203 1.00 0.00 H -ATOM 1344 3HD2 LEU A 79 3.291 3.063 -18.980 1.00 0.00 H -ATOM 1345 N GLY A 80 6.651 -0.049 -17.238 1.00 0.00 N -ATOM 1346 CA GLY A 80 7.938 -0.615 -16.910 1.00 0.00 C -ATOM 1347 C GLY A 80 8.151 -0.964 -15.431 1.00 0.00 C -ATOM 1348 O GLY A 80 7.560 -0.375 -14.529 1.00 0.00 O -ATOM 1349 H GLY A 80 5.840 -0.650 -17.259 1.00 0.00 H -ATOM 1350 1HA GLY A 80 8.091 -1.528 -17.485 1.00 0.00 H -ATOM 1351 2HA GLY A 80 8.725 0.081 -17.197 1.00 0.00 H -ATOM 1352 N SER A 81 9.085 -1.895 -15.228 1.00 50.00 N -ATOM 1353 CA SER A 81 9.611 -2.297 -13.970 1.00 50.00 C -ATOM 1354 C SER A 81 10.108 -1.160 -13.095 1.00 50.00 C -ATOM 1355 O SER A 81 9.788 -1.112 -11.860 1.00 50.00 O -ATOM 1356 CB SER A 81 10.738 -3.301 -14.223 1.00 50.00 C -ATOM 1357 OG SER A 81 10.176 -4.528 -14.624 1.00 50.00 O -ATOM 1358 H SER A 81 9.429 -2.336 -16.069 1.00 50.00 H -ATOM 1359 HA SER A 81 8.814 -2.774 -13.398 1.00 50.00 H -ATOM 1360 1HB SER A 81 11.405 -2.913 -14.993 1.00 50.00 H -ATOM 1361 2HB SER A 81 11.325 -3.425 -13.314 1.00 50.00 H -ATOM 1362 HG SER A 81 9.225 -4.395 -14.628 1.00 50.00 H -ATOM 1363 N GLY A 82 10.858 -0.240 -13.705 1.00 50.00 N -ATOM 1364 CA GLY A 82 11.417 0.898 -12.997 1.00 50.00 C -ATOM 1365 C GLY A 82 10.374 1.778 -12.306 1.00 50.00 C -ATOM 1366 O GLY A 82 10.557 2.237 -11.170 1.00 50.00 O -ATOM 1367 H GLY A 82 11.041 -0.343 -14.693 1.00 50.00 H -ATOM 1368 1HA GLY A 82 12.120 0.547 -12.241 1.00 50.00 H -ATOM 1369 2HA GLY A 82 11.978 1.520 -13.694 1.00 50.00 H -ATOM 1370 N LYS A 83 9.281 2.038 -13.018 1.00 50.00 N -ATOM 1371 CA LYS A 83 8.229 2.867 -12.550 1.00 50.00 C -ATOM 1372 C LYS A 83 7.605 2.203 -11.307 1.00 50.00 C -ATOM 1373 O LYS A 83 7.359 2.851 -10.304 1.00 50.00 O -ATOM 1374 CB LYS A 83 7.194 3.004 -13.666 1.00 50.00 C -ATOM 1375 CG LYS A 83 5.992 3.862 -13.265 1.00 50.00 C -ATOM 1376 CD LYS A 83 6.359 5.296 -12.967 1.00 50.00 C -ATOM 1377 CE LYS A 83 6.640 6.047 -14.264 1.00 50.00 C -ATOM 1378 NZ LYS A 83 6.863 7.450 -13.874 1.00 50.00 N -ATOM 1379 H LYS A 83 9.207 1.620 -13.934 1.00 50.00 H -ATOM 1380 HA LYS A 83 8.642 3.847 -12.309 1.00 50.00 H -ATOM 1381 1HB LYS A 83 7.662 3.450 -14.544 1.00 50.00 H -ATOM 1382 2HB LYS A 83 6.835 2.015 -13.953 1.00 50.00 H -ATOM 1383 1HG LYS A 83 5.259 3.862 -14.073 1.00 50.00 H -ATOM 1384 2HG LYS A 83 5.525 3.441 -12.375 1.00 50.00 H -ATOM 1385 1HD LYS A 83 5.538 5.779 -12.435 1.00 50.00 H -ATOM 1386 2HD LYS A 83 7.245 5.321 -12.332 1.00 50.00 H -ATOM 1387 1HE LYS A 83 7.514 5.617 -14.751 1.00 50.00 H -ATOM 1388 2HE LYS A 83 5.788 5.943 -14.936 1.00 50.00 H -ATOM 1389 1HZ LYS A 83 7.055 8.002 -14.698 1.00 50.00 H -ATOM 1390 2HZ LYS A 83 6.037 7.808 -13.414 1.00 50.00 H -ATOM 1391 3HZ LYS A 83 7.649 7.503 -13.242 1.00 50.00 H -ATOM 1392 N LEU A 84 7.380 0.885 -11.376 1.00 50.00 N -ATOM 1393 CA LEU A 84 6.797 0.152 -10.251 1.00 50.00 C -ATOM 1394 C LEU A 84 7.736 0.198 -9.064 1.00 50.00 C -ATOM 1395 O LEU A 84 7.290 0.405 -7.954 1.00 50.00 O -ATOM 1396 CB LEU A 84 6.502 -1.304 -10.598 1.00 50.00 C -ATOM 1397 CG LEU A 84 5.771 -2.102 -9.495 1.00 50.00 C -ATOM 1398 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 50.00 C -ATOM 1399 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 50.00 C -ATOM 1400 H LEU A 84 7.616 0.384 -12.220 1.00 50.00 H -ATOM 1401 HA LEU A 84 5.854 0.626 -9.981 1.00 50.00 H -ATOM 1402 1HB LEU A 84 5.888 -1.329 -11.497 1.00 50.00 H -ATOM 1403 2HB LEU A 84 7.444 -1.808 -10.812 1.00 50.00 H -ATOM 1404 HG LEU A 84 6.429 -2.220 -8.634 1.00 50.00 H -ATOM 1405 1HD1 LEU A 84 4.071 -1.966 -8.204 1.00 50.00 H -ATOM 1406 2HD1 LEU A 84 4.858 -0.410 -8.558 1.00 50.00 H -ATOM 1407 3HD1 LEU A 84 3.855 -1.202 -9.797 1.00 50.00 H -ATOM 1408 1HD2 LEU A 84 4.857 -4.030 -9.201 1.00 50.00 H -ATOM 1409 2HD2 LEU A 84 4.702 -3.387 -10.853 1.00 50.00 H -ATOM 1410 3HD2 LEU A 84 6.261 -4.041 -10.295 1.00 50.00 H -ATOM 1411 N ILE A 85 9.042 0.006 -9.325 1.00 50.00 N -ATOM 1412 CA ILE A 85 10.054 0.140 -8.273 1.00 50.00 C -ATOM 1413 C ILE A 85 9.998 1.466 -7.502 1.00 50.00 C -ATOM 1414 O ILE A 85 9.973 1.459 -6.266 1.00 50.00 O -ATOM 1415 CB ILE A 85 11.464 -0.112 -8.823 1.00 50.00 C -ATOM 1416 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 50.00 C -ATOM 1417 CG2 ILE A 85 12.561 0.357 -7.842 1.00 50.00 C -ATOM 1418 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 50.00 C -ATOM 1419 H ILE A 85 9.335 -0.235 -10.261 1.00 50.00 H -ATOM 1420 HA ILE A 85 9.851 -0.602 -7.501 1.00 50.00 H -ATOM 1421 HB ILE A 85 11.591 0.430 -9.759 1.00 50.00 H -ATOM 1422 1HG1 ILE A 85 11.755 -2.149 -8.165 1.00 50.00 H -ATOM 1423 2HG1 ILE A 85 10.721 -1.996 -9.576 1.00 50.00 H -ATOM 1424 1HG2 ILE A 85 13.543 0.159 -8.272 1.00 50.00 H -ATOM 1425 2HG2 ILE A 85 12.454 1.426 -7.661 1.00 50.00 H -ATOM 1426 3HG2 ILE A 85 12.462 -0.183 -6.900 1.00 50.00 H -ATOM 1427 1HD1 ILE A 85 12.862 -3.015 -10.164 1.00 50.00 H -ATOM 1428 2HD1 ILE A 85 12.680 -1.437 -10.967 1.00 50.00 H -ATOM 1429 3HD1 ILE A 85 13.729 -1.593 -9.538 1.00 50.00 H -ATOM 1430 N VAL A 86 9.964 2.591 -8.222 1.00 50.00 N -ATOM 1431 CA VAL A 86 10.012 3.895 -7.573 1.00 50.00 C -ATOM 1432 C VAL A 86 8.723 4.219 -6.840 1.00 50.00 C -ATOM 1433 O VAL A 86 8.759 4.700 -5.724 1.00 50.00 O -ATOM 1434 CB VAL A 86 10.279 5.024 -8.614 1.00 50.00 C -ATOM 1435 CG1 VAL A 86 10.621 6.347 -7.923 1.00 50.00 C -ATOM 1436 CG2 VAL A 86 11.349 4.601 -9.611 1.00 50.00 C -ATOM 1437 H VAL A 86 9.904 2.545 -9.229 1.00 50.00 H -ATOM 1438 HA VAL A 86 10.829 3.892 -6.850 1.00 50.00 H -ATOM 1439 HB VAL A 86 9.355 5.235 -9.153 1.00 50.00 H -ATOM 1440 1HG1 VAL A 86 10.802 7.115 -8.676 1.00 50.00 H -ATOM 1441 2HG1 VAL A 86 9.789 6.651 -7.288 1.00 50.00 H -ATOM 1442 3HG1 VAL A 86 11.516 6.219 -7.315 1.00 50.00 H -ATOM 1443 1HG2 VAL A 86 11.517 5.405 -10.327 1.00 50.00 H -ATOM 1444 2HG2 VAL A 86 12.277 4.388 -9.080 1.00 50.00 H -ATOM 1445 3HG2 VAL A 86 11.020 3.707 -10.140 1.00 50.00 H -ATOM 1446 N ILE A 87 7.571 3.947 -7.467 1.00 0.00 N -ATOM 1447 CA ILE A 87 6.305 4.039 -6.738 1.00 0.00 C -ATOM 1448 C ILE A 87 6.350 3.276 -5.410 1.00 0.00 C -ATOM 1449 O ILE A 87 6.038 3.781 -4.331 1.00 0.00 O -ATOM 1450 CB ILE A 87 5.156 3.535 -7.575 1.00 0.00 C -ATOM 1451 CG1 ILE A 87 4.921 4.490 -8.716 1.00 0.00 C -ATOM 1452 CG2 ILE A 87 3.889 3.400 -6.722 1.00 0.00 C -ATOM 1453 CD1 ILE A 87 3.874 3.971 -9.695 1.00 0.00 C -ATOM 1454 H ILE A 87 7.560 3.678 -8.440 1.00 0.00 H -ATOM 1455 HA ILE A 87 6.120 5.085 -6.498 1.00 0.00 H -ATOM 1456 HB ILE A 87 5.409 2.560 -7.990 1.00 0.00 H -ATOM 1457 1HG1 ILE A 87 4.596 5.453 -8.323 1.00 0.00 H -ATOM 1458 2HG1 ILE A 87 5.857 4.655 -9.251 1.00 0.00 H -ATOM 1459 1HG2 ILE A 87 3.070 3.036 -7.342 1.00 0.00 H -ATOM 1460 2HG2 ILE A 87 4.070 2.696 -5.911 1.00 0.00 H -ATOM 1461 3HG2 ILE A 87 3.625 4.373 -6.306 1.00 0.00 H -ATOM 1462 1HD1 ILE A 87 3.739 4.693 -10.500 1.00 0.00 H -ATOM 1463 2HD1 ILE A 87 4.206 3.020 -10.112 1.00 0.00 H -ATOM 1464 3HD1 ILE A 87 2.928 3.829 -9.174 1.00 0.00 H -ATOM 1465 N THR A 88 6.825 2.049 -5.496 1.00 50.00 N -ATOM 1466 CA THR A 88 6.924 1.177 -4.334 1.00 50.00 C -ATOM 1467 C THR A 88 7.889 1.738 -3.289 1.00 50.00 C -ATOM 1468 O THR A 88 7.537 1.750 -2.136 1.00 50.00 O -ATOM 1469 CB THR A 88 7.359 -0.234 -4.741 1.00 50.00 C -ATOM 1470 OG1 THR A 88 6.423 -0.773 -5.664 1.00 50.00 O -ATOM 1471 CG2 THR A 88 7.453 -1.165 -3.502 1.00 50.00 C -ATOM 1472 H THR A 88 7.129 1.706 -6.396 1.00 50.00 H -ATOM 1473 HA THR A 88 5.942 1.112 -3.866 1.00 50.00 H -ATOM 1474 HB THR A 88 8.335 -0.189 -5.224 1.00 50.00 H -ATOM 1475 HG1 THR A 88 5.727 -0.131 -5.825 1.00 50.00 H -ATOM 1476 1HG2 THR A 88 7.764 -2.161 -3.818 1.00 50.00 H -ATOM 1477 2HG2 THR A 88 8.182 -0.763 -2.799 1.00 50.00 H -ATOM 1478 3HG2 THR A 88 6.479 -1.226 -3.018 1.00 50.00 H -ATOM 1479 N LEU A 89 9.105 2.168 -3.696 1.00 50.00 N -ATOM 1480 CA LEU A 89 10.078 2.707 -2.725 1.00 50.00 C -ATOM 1481 C LEU A 89 9.574 3.936 -2.010 1.00 50.00 C -ATOM 1482 O LEU A 89 9.789 4.097 -0.800 1.00 50.00 O -ATOM 1483 CB LEU A 89 11.434 3.045 -3.349 1.00 50.00 C -ATOM 1484 CG LEU A 89 12.203 1.836 -3.893 1.00 50.00 C -ATOM 1485 CD1 LEU A 89 13.497 2.302 -4.530 1.00 50.00 C -ATOM 1486 CD2 LEU A 89 12.480 0.770 -2.826 1.00 50.00 C -ATOM 1487 H LEU A 89 9.358 2.123 -4.673 1.00 50.00 H -ATOM 1488 HA LEU A 89 10.254 1.954 -1.958 1.00 50.00 H -ATOM 1489 1HB LEU A 89 11.275 3.746 -4.167 1.00 50.00 H -ATOM 1490 2HB LEU A 89 12.052 3.533 -2.595 1.00 50.00 H -ATOM 1491 HG LEU A 89 11.625 1.365 -4.688 1.00 50.00 H -ATOM 1492 1HD1 LEU A 89 14.043 1.441 -4.917 1.00 50.00 H -ATOM 1493 2HD1 LEU A 89 13.274 2.987 -5.348 1.00 50.00 H -ATOM 1494 3HD1 LEU A 89 14.106 2.813 -3.785 1.00 50.00 H -ATOM 1495 1HD2 LEU A 89 13.027 -0.060 -3.274 1.00 50.00 H -ATOM 1496 2HD2 LEU A 89 13.075 1.205 -2.023 1.00 50.00 H -ATOM 1497 3HD2 LEU A 89 11.535 0.406 -2.421 1.00 50.00 H -ATOM 1498 N ILE A 90 8.960 4.844 -2.775 1.00 50.00 N -ATOM 1499 CA ILE A 90 8.590 6.148 -2.292 1.00 50.00 C -ATOM 1500 C ILE A 90 7.369 5.955 -1.394 1.00 50.00 C -ATOM 1501 O ILE A 90 7.280 6.520 -0.327 1.00 50.00 O -ATOM 1502 CB ILE A 90 8.278 7.130 -3.471 1.00 50.00 C -ATOM 1503 CG1 ILE A 90 9.546 7.486 -4.260 1.00 50.00 C -ATOM 1504 CG2 ILE A 90 7.717 8.430 -2.903 1.00 50.00 C -ATOM 1505 CD1 ILE A 90 9.300 8.435 -5.450 1.00 50.00 C -ATOM 1506 H ILE A 90 8.751 4.596 -3.731 1.00 50.00 H -ATOM 1507 HA ILE A 90 9.425 6.556 -1.723 1.00 50.00 H -ATOM 1508 HB ILE A 90 7.546 6.676 -4.138 1.00 50.00 H -ATOM 1509 1HG1 ILE A 90 10.268 7.957 -3.594 1.00 50.00 H -ATOM 1510 2HG1 ILE A 90 10.004 6.574 -4.644 1.00 50.00 H -ATOM 1511 1HG2 ILE A 90 7.498 9.119 -3.719 1.00 50.00 H -ATOM 1512 2HG2 ILE A 90 6.802 8.220 -2.350 1.00 50.00 H -ATOM 1513 3HG2 ILE A 90 8.450 8.881 -2.234 1.00 50.00 H -ATOM 1514 1HD1 ILE A 90 10.245 8.637 -5.956 1.00 50.00 H -ATOM 1515 2HD1 ILE A 90 8.606 7.968 -6.150 1.00 50.00 H -ATOM 1516 3HD1 ILE A 90 8.876 9.370 -5.087 1.00 50.00 H -ATOM 1517 N SER A 91 6.406 5.180 -1.868 1.00 0.00 N -ATOM 1518 CA SER A 91 5.211 4.929 -1.061 1.00 0.00 C -ATOM 1519 C SER A 91 5.550 4.199 0.274 1.00 0.00 C -ATOM 1520 O SER A 91 5.042 4.587 1.324 1.00 0.00 O -ATOM 1521 CB SER A 91 4.114 4.206 -1.842 1.00 0.00 C -ATOM 1522 OG SER A 91 4.494 2.924 -2.211 1.00 0.00 O -ATOM 1523 H SER A 91 6.481 4.756 -2.782 1.00 0.00 H -ATOM 1524 HA SER A 91 4.806 5.888 -0.735 1.00 0.00 H -ATOM 1525 1HB SER A 91 3.212 4.149 -1.234 1.00 0.00 H -ATOM 1526 2HB SER A 91 3.869 4.776 -2.737 1.00 0.00 H -ATOM 1527 HG SER A 91 5.384 2.804 -1.872 1.00 0.00 H -ATOM 1528 N ALA A 92 6.432 3.199 0.213 1.00 50.00 N -ATOM 1529 CA ALA A 92 6.842 2.470 1.418 1.00 50.00 C -ATOM 1530 C ALA A 92 7.505 3.368 2.416 1.00 50.00 C -ATOM 1531 O ALA A 92 7.246 3.296 3.592 1.00 50.00 O -ATOM 1532 CB ALA A 92 7.737 1.283 1.110 1.00 50.00 C -ATOM 1533 H ALA A 92 6.827 2.937 -0.679 1.00 50.00 H -ATOM 1534 HA ALA A 92 5.944 2.091 1.907 1.00 50.00 H -ATOM 1535 1HB ALA A 92 8.009 0.782 2.039 1.00 50.00 H -ATOM 1536 2HB ALA A 92 7.206 0.585 0.463 1.00 50.00 H -ATOM 1537 3HB ALA A 92 8.639 1.629 0.607 1.00 50.00 H -ATOM 1538 N LEU A 93 8.402 4.229 1.942 1.00 50.00 N -ATOM 1539 CA LEU A 93 9.174 5.081 2.825 1.00 50.00 C -ATOM 1540 C LEU A 93 8.301 6.154 3.451 1.00 50.00 C -ATOM 1541 O LEU A 93 8.381 6.404 4.668 1.00 50.00 O -ATOM 1542 CB LEU A 93 10.256 5.737 2.003 1.00 50.00 C -ATOM 1543 CG LEU A 93 11.259 6.533 2.734 1.00 50.00 C -ATOM 1544 CD1 LEU A 93 12.011 5.709 3.770 1.00 50.00 C -ATOM 1545 CD2 LEU A 93 12.186 7.120 1.660 1.00 50.00 C -ATOM 1546 H LEU A 93 8.550 4.292 0.945 1.00 50.00 H -ATOM 1547 HA LEU A 93 9.622 4.460 3.600 1.00 50.00 H -ATOM 1548 1HB LEU A 93 10.796 4.964 1.459 1.00 50.00 H -ATOM 1549 2HB LEU A 93 9.787 6.402 1.278 1.00 50.00 H -ATOM 1550 HG LEU A 93 10.758 7.320 3.298 1.00 50.00 H -ATOM 1551 1HD1 LEU A 93 12.737 6.341 4.280 1.00 50.00 H -ATOM 1552 2HD1 LEU A 93 11.306 5.308 4.498 1.00 50.00 H -ATOM 1553 3HD1 LEU A 93 12.529 4.888 3.275 1.00 50.00 H -ATOM 1554 1HD2 LEU A 93 12.957 7.726 2.137 1.00 50.00 H -ATOM 1555 2HD2 LEU A 93 12.655 6.310 1.101 1.00 50.00 H -ATOM 1556 3HD2 LEU A 93 11.605 7.742 0.979 1.00 50.00 H -ATOM 1557 N LEU A 94 7.499 6.820 2.610 1.00 50.00 N -ATOM 1558 CA LEU A 94 6.712 7.955 3.072 1.00 50.00 C -ATOM 1559 C LEU A 94 5.575 7.465 3.977 1.00 50.00 C -ATOM 1560 O LEU A 94 5.295 8.078 5.031 1.00 50.00 O -ATOM 1561 CB LEU A 94 6.178 8.806 1.907 1.00 50.00 C -ATOM 1562 CG LEU A 94 7.138 9.894 1.425 1.00 50.00 C -ATOM 1563 CD1 LEU A 94 8.350 9.315 0.748 1.00 50.00 C -ATOM 1564 CD2 LEU A 94 6.454 10.827 0.456 1.00 50.00 C -ATOM 1565 H LEU A 94 7.434 6.538 1.642 1.00 50.00 H -ATOM 1566 HA LEU A 94 7.350 8.592 3.684 1.00 50.00 H -ATOM 1567 1HB LEU A 94 5.958 8.147 1.068 1.00 50.00 H -ATOM 1568 2HB LEU A 94 5.250 9.283 2.222 1.00 50.00 H -ATOM 1569 HG LEU A 94 7.490 10.473 2.279 1.00 50.00 H -ATOM 1570 1HD1 LEU A 94 9.005 10.123 0.422 1.00 50.00 H -ATOM 1571 2HD1 LEU A 94 8.886 8.674 1.448 1.00 50.00 H -ATOM 1572 3HD1 LEU A 94 8.039 8.729 -0.116 1.00 50.00 H -ATOM 1573 1HD2 LEU A 94 7.158 11.592 0.129 1.00 50.00 H -ATOM 1574 2HD2 LEU A 94 6.105 10.262 -0.408 1.00 50.00 H -ATOM 1575 3HD2 LEU A 94 5.604 11.302 0.946 1.00 50.00 H -ATOM 1576 N SER A 95 4.958 6.336 3.604 1.00 0.00 N -ATOM 1577 CA SER A 95 3.847 5.828 4.384 1.00 0.00 C -ATOM 1578 C SER A 95 4.325 5.392 5.741 1.00 0.00 C -ATOM 1579 O SER A 95 3.702 5.678 6.761 1.00 0.00 O -ATOM 1580 CB SER A 95 3.114 4.723 3.625 1.00 0.00 C -ATOM 1581 OG SER A 95 3.915 3.567 3.488 1.00 0.00 O -ATOM 1582 H SER A 95 5.255 5.829 2.783 1.00 0.00 H -ATOM 1583 HA SER A 95 3.148 6.646 4.565 1.00 0.00 H -ATOM 1584 1HB SER A 95 2.196 4.466 4.153 1.00 0.00 H -ATOM 1585 2HB SER A 95 2.832 5.086 2.637 1.00 0.00 H -ATOM 1586 HG SER A 95 4.748 3.770 3.920 1.00 0.00 H -ATOM 1587 N GLY A 96 5.506 4.771 5.784 1.00 50.00 N -ATOM 1588 CA GLY A 96 6.098 4.361 7.055 1.00 50.00 C -ATOM 1589 C GLY A 96 6.449 5.549 7.930 1.00 50.00 C -ATOM 1590 O GLY A 96 6.268 5.521 9.175 1.00 50.00 O -ATOM 1591 H GLY A 96 6.002 4.579 4.926 1.00 50.00 H -ATOM 1592 1HA GLY A 96 5.401 3.715 7.589 1.00 50.00 H -ATOM 1593 2HA GLY A 96 6.997 3.776 6.865 1.00 50.00 H -ATOM 1594 N TYR A 97 7.019 6.592 7.308 1.00 50.00 N -ATOM 1595 CA TYR A 97 7.433 7.742 8.066 1.00 50.00 C -ATOM 1596 C TYR A 97 6.212 8.367 8.744 1.00 50.00 C -ATOM 1597 O TYR A 97 6.284 8.746 9.913 1.00 50.00 O -ATOM 1598 CB TYR A 97 8.172 8.772 7.189 1.00 50.00 C -ATOM 1599 CG TYR A 97 8.059 10.160 7.678 1.00 50.00 C -ATOM 1600 CD1 TYR A 97 8.764 10.612 8.771 1.00 50.00 C -ATOM 1601 CD2 TYR A 97 7.182 11.029 7.076 1.00 50.00 C -ATOM 1602 CE1 TYR A 97 8.594 11.894 9.244 1.00 50.00 C -ATOM 1603 CE2 TYR A 97 7.035 12.315 7.529 1.00 50.00 C -ATOM 1604 CZ TYR A 97 7.729 12.737 8.617 1.00 50.00 C -ATOM 1605 OH TYR A 97 7.533 14.075 8.988 1.00 50.00 O -ATOM 1606 H TYR A 97 7.164 6.584 6.308 1.00 50.00 H -ATOM 1607 HA TYR A 97 8.118 7.413 8.848 1.00 50.00 H -ATOM 1608 1HB TYR A 97 9.231 8.514 7.138 1.00 50.00 H -ATOM 1609 2HB TYR A 97 7.777 8.736 6.174 1.00 50.00 H -ATOM 1610 HD1 TYR A 97 9.470 9.952 9.276 1.00 50.00 H -ATOM 1611 HD2 TYR A 97 6.587 10.700 6.224 1.00 50.00 H -ATOM 1612 HE1 TYR A 97 9.160 12.235 10.110 1.00 50.00 H -ATOM 1613 HE2 TYR A 97 6.359 13.000 7.016 1.00 50.00 H -ATOM 1614 HH TYR A 97 6.912 14.486 8.382 1.00 50.00 H -ATOM 1615 N VAL A 98 5.121 8.536 7.979 1.00 50.00 N -ATOM 1616 CA VAL A 98 3.936 9.203 8.488 1.00 50.00 C -ATOM 1617 C VAL A 98 3.231 8.366 9.557 1.00 50.00 C -ATOM 1618 O VAL A 98 2.783 8.892 10.567 1.00 50.00 O -ATOM 1619 CB VAL A 98 2.964 9.510 7.343 1.00 50.00 C -ATOM 1620 CG1 VAL A 98 1.635 10.010 7.908 1.00 50.00 C -ATOM 1621 CG2 VAL A 98 3.572 10.570 6.405 1.00 50.00 C -ATOM 1622 H VAL A 98 5.123 8.193 7.029 1.00 50.00 H -ATOM 1623 HA VAL A 98 4.240 10.143 8.951 1.00 50.00 H -ATOM 1624 HB VAL A 98 2.776 8.594 6.783 1.00 50.00 H -ATOM 1625 1HG1 VAL A 98 0.949 10.226 7.088 1.00 50.00 H -ATOM 1626 2HG1 VAL A 98 1.202 9.244 8.551 1.00 50.00 H -ATOM 1627 3HG1 VAL A 98 1.804 10.918 8.487 1.00 50.00 H -ATOM 1628 1HG2 VAL A 98 2.875 10.781 5.594 1.00 50.00 H -ATOM 1629 2HG2 VAL A 98 3.765 11.485 6.966 1.00 50.00 H -ATOM 1630 3HG2 VAL A 98 4.508 10.195 5.990 1.00 50.00 H -ATOM 1631 N GLN A 99 3.117 7.061 9.297 1.00 0.00 N -ATOM 1632 CA GLN A 99 2.573 6.134 10.258 1.00 0.00 C -ATOM 1633 C GLN A 99 3.285 6.192 11.577 1.00 0.00 C -ATOM 1634 O GLN A 99 2.626 6.250 12.649 1.00 0.00 O -ATOM 1635 CB GLN A 99 2.589 4.716 9.750 1.00 0.00 C -ATOM 1636 CG GLN A 99 1.854 3.731 10.697 1.00 0.00 C -ATOM 1637 CD GLN A 99 0.416 4.118 11.000 1.00 0.00 C -ATOM 1638 OE1 GLN A 99 -0.284 4.651 10.134 1.00 0.00 O -ATOM 1639 NE2 GLN A 99 -0.012 3.926 12.263 1.00 0.00 N -ATOM 1640 H GLN A 99 3.422 6.715 8.398 1.00 0.00 H -ATOM 1641 HA GLN A 99 1.536 6.407 10.453 1.00 0.00 H -ATOM 1642 1HB GLN A 99 2.117 4.676 8.768 1.00 0.00 H -ATOM 1643 2HB GLN A 99 3.620 4.384 9.631 1.00 0.00 H -ATOM 1644 1HG GLN A 99 1.836 2.744 10.235 1.00 0.00 H -ATOM 1645 2HG GLN A 99 2.388 3.689 11.646 1.00 0.00 H -ATOM 1646 1HE2 GLN A 99 -0.951 4.164 12.515 1.00 0.00 H -ATOM 1647 2HE2 GLN A 99 0.608 3.545 12.949 1.00 0.00 H -ATOM 1648 N GLN A 100 4.621 6.158 11.545 1.00 50.00 N -ATOM 1649 CA GLN A 100 5.361 6.130 12.809 1.00 50.00 C -ATOM 1650 C GLN A 100 5.263 7.450 13.534 1.00 50.00 C -ATOM 1651 O GLN A 100 5.193 7.467 14.752 1.00 50.00 O -ATOM 1652 CB GLN A 100 6.800 5.663 12.690 1.00 50.00 C -ATOM 1653 CG GLN A 100 7.757 6.510 11.858 1.00 50.00 C -ATOM 1654 CD GLN A 100 8.277 7.750 12.549 1.00 50.00 C -ATOM 1655 OE1 GLN A 100 8.505 7.726 13.780 1.00 50.00 O -ATOM 1656 NE2 GLN A 100 8.376 8.910 11.764 1.00 50.00 N -ATOM 1657 H GLN A 100 5.133 6.151 10.675 1.00 50.00 H -ATOM 1658 HA GLN A 100 4.863 5.435 13.486 1.00 50.00 H -ATOM 1659 1HB GLN A 100 7.244 5.595 13.683 1.00 50.00 H -ATOM 1660 2HB GLN A 100 6.824 4.665 12.252 1.00 50.00 H -ATOM 1661 1HG GLN A 100 8.625 5.905 11.593 1.00 50.00 H -ATOM 1662 2HG GLN A 100 7.243 6.840 10.956 1.00 50.00 H -ATOM 1663 1HE2 GLN A 100 8.714 9.761 12.168 1.00 50.00 H -ATOM 1664 2HE2 GLN A 100 8.109 8.887 10.801 1.00 50.00 H -ATOM 1665 N LYS A 101 5.195 8.559 12.787 1.00 50.00 N -ATOM 1666 CA LYS A 101 5.036 9.880 13.404 1.00 50.00 C -ATOM 1667 C LYS A 101 3.759 9.983 14.261 1.00 50.00 C -ATOM 1668 O LYS A 101 3.799 10.566 15.295 1.00 50.00 O -ATOM 1669 CB LYS A 101 4.986 10.981 12.345 1.00 50.00 C -ATOM 1670 CG LYS A 101 4.994 12.393 12.892 1.00 50.00 C -ATOM 1671 CD LYS A 101 6.126 12.650 13.882 1.00 50.00 C -ATOM 1672 CE LYS A 101 7.505 12.199 13.400 1.00 50.00 C -ATOM 1673 NZ LYS A 101 8.505 12.410 14.493 1.00 50.00 N -ATOM 1674 H LYS A 101 5.254 8.490 11.781 1.00 50.00 H -ATOM 1675 HA LYS A 101 5.894 10.065 14.051 1.00 50.00 H -ATOM 1676 1HB LYS A 101 5.841 10.882 11.676 1.00 50.00 H -ATOM 1677 2HB LYS A 101 4.085 10.866 11.743 1.00 50.00 H -ATOM 1678 1HG LYS A 101 5.099 13.101 12.069 1.00 50.00 H -ATOM 1679 2HG LYS A 101 4.051 12.591 13.400 1.00 50.00 H -ATOM 1680 1HD LYS A 101 6.189 13.718 14.094 1.00 50.00 H -ATOM 1681 2HD LYS A 101 5.921 12.124 14.814 1.00 50.00 H -ATOM 1682 1HE LYS A 101 7.467 11.146 13.124 1.00 50.00 H -ATOM 1683 2HE LYS A 101 7.788 12.773 12.518 1.00 50.00 H -ATOM 1684 1HZ LYS A 101 9.418 12.113 14.177 1.00 50.00 H -ATOM 1685 2HZ LYS A 101 8.536 13.390 14.737 1.00 50.00 H -ATOM 1686 3HZ LYS A 101 8.238 11.870 15.303 1.00 50.00 H -ATOM 1687 N PHE A 102 2.637 9.447 13.775 1.00 50.00 N -ATOM 1688 CA PHE A 102 1.344 9.574 14.456 1.00 50.00 C -ATOM 1689 C PHE A 102 1.180 8.542 15.549 1.00 50.00 C -ATOM 1690 O PHE A 102 0.638 8.855 16.566 1.00 50.00 O -ATOM 1691 CB PHE A 102 0.153 9.362 13.521 1.00 50.00 C -ATOM 1692 CG PHE A 102 -0.045 10.430 12.471 1.00 50.00 C -ATOM 1693 CD1 PHE A 102 0.617 11.656 12.514 1.00 50.00 C -ATOM 1694 CD2 PHE A 102 -0.974 10.205 11.437 1.00 50.00 C -ATOM 1695 CE1 PHE A 102 0.386 12.619 11.531 1.00 50.00 C -ATOM 1696 CE2 PHE A 102 -1.213 11.167 10.462 1.00 50.00 C -ATOM 1697 CZ PHE A 102 -0.529 12.374 10.510 1.00 50.00 C -ATOM 1698 H PHE A 102 2.687 8.936 12.905 1.00 50.00 H -ATOM 1699 HA PHE A 102 1.264 10.583 14.862 1.00 50.00 H -ATOM 1700 1HB PHE A 102 0.264 8.412 13.000 1.00 50.00 H -ATOM 1701 2HB PHE A 102 -0.764 9.309 14.106 1.00 50.00 H -ATOM 1702 HD1 PHE A 102 1.319 11.854 13.325 1.00 50.00 H -ATOM 1703 HD2 PHE A 102 -1.507 9.254 11.407 1.00 50.00 H -ATOM 1704 HE1 PHE A 102 0.923 13.567 11.561 1.00 50.00 H -ATOM 1705 HE2 PHE A 102 -1.932 10.980 9.664 1.00 50.00 H -ATOM 1706 HZ PHE A 102 -0.711 13.130 9.747 1.00 50.00 H -ATOM 1707 N SER A 103 1.658 7.318 15.311 1.00 0.00 N -ATOM 1708 CA SER A 103 1.318 6.154 16.117 1.00 0.00 C -ATOM 1709 C SER A 103 2.446 5.210 16.531 1.00 0.00 C -ATOM 1710 O SER A 103 2.189 4.162 17.102 1.00 0.00 O -ATOM 1711 CB SER A 103 0.340 5.342 15.277 1.00 0.00 C -ATOM 1712 OG SER A 103 -0.765 6.169 15.049 1.00 0.00 O -ATOM 1713 H SER A 103 2.287 7.208 14.528 1.00 0.00 H -ATOM 1714 HA SER A 103 0.847 6.497 17.039 1.00 0.00 H -ATOM 1715 1HB SER A 103 0.822 5.040 14.348 1.00 0.00 H -ATOM 1716 2HB SER A 103 0.066 4.434 15.813 1.00 0.00 H -ATOM 1717 HG SER A 103 -0.571 6.998 15.492 1.00 0.00 H -ATOM 1718 N GLY A 104 3.690 5.532 16.159 1.00 0.00 N -ATOM 1719 CA GLY A 104 4.834 4.727 16.537 1.00 0.00 C -ATOM 1720 C GLY A 104 5.185 3.608 15.559 1.00 0.00 C -ATOM 1721 O GLY A 104 4.583 3.433 14.502 1.00 0.00 O -ATOM 1722 H GLY A 104 3.835 6.360 15.599 1.00 0.00 H -ATOM 1723 1HA GLY A 104 5.711 5.366 16.639 1.00 0.00 H -ATOM 1724 2HA GLY A 104 4.653 4.272 17.510 1.00 0.00 H -ATOM 1725 N PRO A 105 6.247 2.845 15.880 1.00 0.00 N -ATOM 1726 CA PRO A 105 6.894 1.982 14.897 1.00 0.00 C -ATOM 1727 C PRO A 105 6.271 0.556 14.641 1.00 0.00 C -ATOM 1728 O PRO A 105 6.782 -0.215 13.823 1.00 0.00 O -ATOM 1729 CB PRO A 105 8.279 1.860 15.514 1.00 0.00 C -ATOM 1730 CG PRO A 105 7.992 1.872 17.006 1.00 0.00 C -ATOM 1731 CD PRO A 105 6.947 2.916 17.164 1.00 0.00 C -ATOM 1732 HA PRO A 105 6.916 2.495 13.924 1.00 0.00 H -ATOM 1733 1HB PRO A 105 8.764 0.935 15.170 1.00 0.00 H -ATOM 1734 2HB PRO A 105 8.913 2.697 15.184 1.00 0.00 H -ATOM 1735 1HG PRO A 105 7.655 0.878 17.336 1.00 0.00 H -ATOM 1736 2HG PRO A 105 8.910 2.099 17.568 1.00 0.00 H -ATOM 1737 1HD PRO A 105 6.292 2.655 18.009 1.00 0.00 H -ATOM 1738 2HD PRO A 105 7.426 3.892 17.331 1.00 0.00 H -ATOM 1739 N TRP A 106 5.213 0.216 15.376 1.00 0.00 N -ATOM 1740 CA TRP A 106 4.684 -1.155 15.418 1.00 0.00 C -ATOM 1741 C TRP A 106 3.569 -1.285 14.440 1.00 0.00 C -ATOM 1742 O TRP A 106 2.377 -1.390 14.821 1.00 0.00 O -ATOM 1743 CB TRP A 106 4.198 -1.493 16.827 1.00 0.00 C -ATOM 1744 CG TRP A 106 5.284 -1.353 17.783 1.00 0.00 C -ATOM 1745 CD1 TRP A 106 5.433 -0.364 18.695 1.00 0.00 C -ATOM 1746 CD2 TRP A 106 6.444 -2.181 17.881 1.00 0.00 C -ATOM 1747 NE1 TRP A 106 6.584 -0.564 19.425 1.00 0.00 N -ATOM 1748 CE2 TRP A 106 7.248 -1.652 18.918 1.00 0.00 C -ATOM 1749 CE3 TRP A 106 6.885 -3.313 17.205 1.00 0.00 C -ATOM 1750 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 0.00 C -ATOM 1751 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 0.00 C -ATOM 1752 CH2 TRP A 106 8.882 -3.325 18.625 1.00 0.00 C -ATOM 1753 H TRP A 106 4.762 0.935 15.924 1.00 0.00 H -ATOM 1754 HA TRP A 106 5.485 -1.843 15.150 1.00 0.00 H -ATOM 1755 1HB TRP A 106 3.376 -0.830 17.097 1.00 0.00 H -ATOM 1756 2HB TRP A 106 3.815 -2.513 16.845 1.00 0.00 H -ATOM 1757 HD1 TRP A 106 4.743 0.467 18.831 1.00 0.00 H -ATOM 1758 HE1 TRP A 106 6.891 -0.002 20.206 1.00 0.00 H -ATOM 1759 HE3 TRP A 106 6.289 -3.760 16.409 1.00 0.00 H -ATOM 1760 HZ2 TRP A 106 9.077 -1.796 20.085 1.00 0.00 H -ATOM 1761 HZ3 TRP A 106 8.485 -4.746 17.030 1.00 0.00 H -ATOM 1762 HH2 TRP A 106 9.822 -3.797 18.912 1.00 0.00 H -ATOM 1763 N PHE A 107 3.954 -1.246 13.161 1.00 0.00 N -ATOM 1764 CA PHE A 107 3.037 -1.364 12.053 1.00 0.00 C -ATOM 1765 C PHE A 107 3.677 -2.201 10.974 1.00 0.00 C -ATOM 1766 O PHE A 107 4.894 -2.443 10.980 1.00 0.00 O -ATOM 1767 CB PHE A 107 2.687 0.034 11.539 1.00 0.00 C -ATOM 1768 CG PHE A 107 3.829 0.756 10.910 1.00 0.00 C -ATOM 1769 CD1 PHE A 107 4.696 1.478 11.682 1.00 0.00 C -ATOM 1770 CD2 PHE A 107 4.037 0.689 9.550 1.00 0.00 C -ATOM 1771 CE1 PHE A 107 5.756 2.154 11.124 1.00 0.00 C -ATOM 1772 CE2 PHE A 107 5.100 1.362 8.973 1.00 0.00 C -ATOM 1773 CZ PHE A 107 5.969 2.075 9.775 1.00 0.00 C -ATOM 1774 H PHE A 107 4.939 -1.128 12.974 1.00 0.00 H -ATOM 1775 HA PHE A 107 2.129 -1.856 12.406 1.00 0.00 H -ATOM 1776 1HB PHE A 107 1.888 -0.039 10.802 1.00 0.00 H -ATOM 1777 2HB PHE A 107 2.317 0.642 12.363 1.00 0.00 H -ATOM 1778 HD1 PHE A 107 4.543 1.517 12.761 1.00 0.00 H -ATOM 1779 HD2 PHE A 107 3.346 0.124 8.924 1.00 0.00 H -ATOM 1780 HE1 PHE A 107 6.418 2.746 11.756 1.00 0.00 H -ATOM 1781 HE2 PHE A 107 5.254 1.333 7.894 1.00 0.00 H -ATOM 1782 HZ PHE A 107 6.826 2.576 9.327 1.00 0.00 H -ATOM 1783 N GLY A 108 2.854 -2.667 10.035 1.00 0.00 N -ATOM 1784 CA GLY A 108 3.360 -3.393 8.904 1.00 0.00 C -ATOM 1785 C GLY A 108 2.289 -3.574 7.875 1.00 0.00 C -ATOM 1786 O GLY A 108 1.119 -3.369 8.138 1.00 0.00 O -ATOM 1787 H GLY A 108 1.859 -2.511 10.114 1.00 0.00 H -ATOM 1788 1HA GLY A 108 4.204 -2.854 8.474 1.00 0.00 H -ATOM 1789 2HA GLY A 108 3.731 -4.363 9.231 1.00 0.00 H -ATOM 1790 N GLY A 109 2.701 -3.993 6.686 1.00 0.00 N -ATOM 1791 CA GLY A 109 1.759 -4.292 5.640 1.00 0.00 C -ATOM 1792 C GLY A 109 1.992 -3.517 4.361 1.00 0.00 C -ATOM 1793 O GLY A 109 2.476 -2.377 4.377 1.00 0.00 O -ATOM 1794 H GLY A 109 3.688 -4.106 6.506 1.00 0.00 H -ATOM 1795 1HA GLY A 109 1.800 -5.356 5.406 1.00 0.00 H -ATOM 1796 2HA GLY A 109 0.749 -4.079 5.988 1.00 0.00 H -ATOM 1797 N LEU A 110 1.579 -4.134 3.256 1.00 0.00 N -ATOM 1798 CA LEU A 110 1.649 -3.572 1.925 1.00 0.00 C -ATOM 1799 C LEU A 110 0.579 -2.500 1.527 1.00 0.00 C -ATOM 1800 O LEU A 110 0.644 -1.899 0.480 1.00 0.00 O -ATOM 1801 CB LEU A 110 1.690 -4.738 0.905 1.00 0.00 C -ATOM 1802 CG LEU A 110 2.211 -4.363 -0.479 1.00 0.00 C -ATOM 1803 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 0.00 C -ATOM 1804 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 0.00 C -ATOM 1805 H LEU A 110 1.193 -5.059 3.380 1.00 0.00 H -ATOM 1806 HA LEU A 110 2.562 -2.983 1.846 1.00 0.00 H -ATOM 1807 1HB LEU A 110 2.326 -5.526 1.304 1.00 0.00 H -ATOM 1808 2HB LEU A 110 0.682 -5.136 0.791 1.00 0.00 H -ATOM 1809 HG LEU A 110 1.627 -3.531 -0.875 1.00 0.00 H -ATOM 1810 1HD1 LEU A 110 4.058 -3.643 -1.354 1.00 0.00 H -ATOM 1811 2HD1 LEU A 110 3.749 -3.047 0.294 1.00 0.00 H -ATOM 1812 3HD1 LEU A 110 4.283 -4.726 0.040 1.00 0.00 H -ATOM 1813 1HD2 LEU A 110 2.424 -5.367 -2.375 1.00 0.00 H -ATOM 1814 2HD2 LEU A 110 2.642 -6.420 -0.957 1.00 0.00 H -ATOM 1815 3HD2 LEU A 110 1.011 -5.884 -1.424 1.00 0.00 H -ATOM 1816 N SER A 111 -0.387 -2.234 2.387 1.00 0.00 N -ATOM 1817 CA SER A 111 -1.472 -1.338 2.044 1.00 0.00 C -ATOM 1818 C SER A 111 -1.076 0.110 1.781 1.00 0.00 C -ATOM 1819 O SER A 111 -1.814 0.816 1.081 1.00 0.00 O -ATOM 1820 CB SER A 111 -2.581 -1.382 3.109 1.00 0.00 C -ATOM 1821 OG SER A 111 -2.151 -0.892 4.390 1.00 0.00 O -ATOM 1822 H SER A 111 -0.372 -2.661 3.302 1.00 0.00 H -ATOM 1823 HA SER A 111 -1.897 -1.658 1.091 1.00 0.00 H -ATOM 1824 1HB SER A 111 -3.429 -0.785 2.776 1.00 0.00 H -ATOM 1825 2HB SER A 111 -2.930 -2.407 3.229 1.00 0.00 H -ATOM 1826 HG SER A 111 -1.231 -0.639 4.281 1.00 0.00 H -ATOM 1827 N GLY A 112 0.062 0.562 2.330 1.00 0.00 N -ATOM 1828 CA GLY A 112 0.560 1.900 2.027 1.00 0.00 C -ATOM 1829 C GLY A 112 0.838 1.959 0.542 1.00 0.00 C -ATOM 1830 O GLY A 112 0.421 2.898 -0.188 1.00 0.00 O -ATOM 1831 H GLY A 112 0.586 -0.026 2.962 1.00 0.00 H -ATOM 1832 1HA GLY A 112 -0.182 2.641 2.325 1.00 0.00 H -ATOM 1833 2HA GLY A 112 1.459 2.094 2.610 1.00 0.00 H -ATOM 1834 N VAL A 113 1.541 0.921 0.083 1.00 0.00 N -ATOM 1835 CA VAL A 113 1.905 0.734 -1.322 1.00 0.00 C -ATOM 1836 C VAL A 113 0.661 0.511 -2.174 1.00 0.00 C -ATOM 1837 O VAL A 113 0.526 1.041 -3.214 1.00 0.00 O -ATOM 1838 CB VAL A 113 2.893 -0.436 -1.510 1.00 0.00 C -ATOM 1839 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 0.00 C -ATOM 1840 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 0.00 C -ATOM 1841 H VAL A 113 1.831 0.232 0.762 1.00 0.00 H -ATOM 1842 HA VAL A 113 2.390 1.644 -1.678 1.00 0.00 H -ATOM 1843 HB VAL A 113 2.452 -1.342 -1.094 1.00 0.00 H -ATOM 1844 1HG1 VAL A 113 3.847 -1.475 -3.101 1.00 0.00 H -ATOM 1845 2HG1 VAL A 113 2.211 -0.882 -3.474 1.00 0.00 H -ATOM 1846 3HG1 VAL A 113 3.577 0.258 -3.400 1.00 0.00 H -ATOM 1847 1HG2 VAL A 113 4.878 -1.023 -0.968 1.00 0.00 H -ATOM 1848 2HG2 VAL A 113 4.666 0.726 -1.220 1.00 0.00 H -ATOM 1849 3HG2 VAL A 113 4.036 -0.043 0.256 1.00 0.00 H -ATOM 1850 N VAL A 114 -0.261 -0.316 -1.695 1.00 0.00 N -ATOM 1851 CA VAL A 114 -1.477 -0.552 -2.419 1.00 0.00 C -ATOM 1852 C VAL A 114 -2.272 0.729 -2.615 1.00 0.00 C -ATOM 1853 O VAL A 114 -2.798 0.945 -3.730 1.00 0.00 O -ATOM 1854 CB VAL A 114 -2.322 -1.630 -1.749 1.00 0.00 C -ATOM 1855 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 0.00 C -ATOM 1856 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 0.00 C -ATOM 1857 H VAL A 114 -0.114 -0.787 -0.814 1.00 0.00 H -ATOM 1858 HA VAL A 114 -1.221 -0.894 -3.423 1.00 0.00 H -ATOM 1859 HB VAL A 114 -2.413 -1.400 -0.687 1.00 0.00 H -ATOM 1860 1HG1 VAL A 114 -4.286 -2.448 -1.852 1.00 0.00 H -ATOM 1861 2HG1 VAL A 114 -4.186 -0.707 -2.205 1.00 0.00 H -ATOM 1862 3HG1 VAL A 114 -3.629 -1.893 -3.410 1.00 0.00 H -ATOM 1863 1HG2 VAL A 114 -2.236 -3.742 -1.459 1.00 0.00 H -ATOM 1864 2HG2 VAL A 114 -1.545 -3.176 -2.998 1.00 0.00 H -ATOM 1865 3HG2 VAL A 114 -0.652 -2.932 -1.479 1.00 0.00 H -ATOM 1866 N TYR A 115 -2.367 1.559 -1.558 1.00 50.00 N -ATOM 1867 CA TYR A 115 -3.098 2.837 -1.643 1.00 50.00 C -ATOM 1868 C TYR A 115 -2.453 3.761 -2.697 1.00 50.00 C -ATOM 1869 O TYR A 115 -3.165 4.417 -3.438 1.00 50.00 O -ATOM 1870 CB TYR A 115 -3.242 3.587 -0.295 1.00 50.00 C -ATOM 1871 CG TYR A 115 -4.426 3.139 0.594 1.00 50.00 C -ATOM 1872 CD1 TYR A 115 -4.692 1.801 0.806 1.00 50.00 C -ATOM 1873 CD2 TYR A 115 -5.237 4.072 1.251 1.00 50.00 C -ATOM 1874 CE1 TYR A 115 -5.718 1.388 1.600 1.00 50.00 C -ATOM 1875 CE2 TYR A 115 -6.269 3.667 2.078 1.00 50.00 C -ATOM 1876 CZ TYR A 115 -6.505 2.311 2.254 1.00 50.00 C -ATOM 1877 OH TYR A 115 -7.528 1.845 3.075 1.00 50.00 O -ATOM 1878 H TYR A 115 -1.927 1.301 -0.686 1.00 50.00 H -ATOM 1879 HA TYR A 115 -4.109 2.634 -1.997 1.00 50.00 H -ATOM 1880 1HB TYR A 115 -2.331 3.460 0.291 1.00 50.00 H -ATOM 1881 2HB TYR A 115 -3.364 4.653 -0.483 1.00 50.00 H -ATOM 1882 HD1 TYR A 115 -4.072 1.040 0.331 1.00 50.00 H -ATOM 1883 HD2 TYR A 115 -5.061 5.139 1.114 1.00 50.00 H -ATOM 1884 HE1 TYR A 115 -5.900 0.324 1.746 1.00 50.00 H -ATOM 1885 HE2 TYR A 115 -6.887 4.410 2.582 1.00 50.00 H -ATOM 1886 HH TYR A 115 -7.994 2.592 3.459 1.00 50.00 H -ATOM 1887 N ALA A 116 -1.111 3.810 -2.734 1.00 50.00 N -ATOM 1888 CA ALA A 116 -0.368 4.586 -3.744 1.00 50.00 C -ATOM 1889 C ALA A 116 -0.721 4.102 -5.168 1.00 50.00 C -ATOM 1890 O ALA A 116 -1.009 4.899 -6.057 1.00 50.00 O -ATOM 1891 CB ALA A 116 1.121 4.451 -3.480 1.00 50.00 C -ATOM 1892 H ALA A 116 -0.597 3.290 -2.037 1.00 50.00 H -ATOM 1893 HA ALA A 116 -0.660 5.632 -3.650 1.00 50.00 H -ATOM 1894 1HB ALA A 116 1.676 5.023 -4.224 1.00 50.00 H -ATOM 1895 2HB ALA A 116 1.350 4.832 -2.485 1.00 50.00 H -ATOM 1896 3HB ALA A 116 1.407 3.402 -3.541 1.00 50.00 H -ATOM 1897 N LEU A 117 -0.795 2.779 -5.351 1.00 0.00 N -ATOM 1898 CA LEU A 117 -1.112 2.230 -6.673 1.00 0.00 C -ATOM 1899 C LEU A 117 -2.516 2.597 -7.107 1.00 0.00 C -ATOM 1900 O LEU A 117 -2.762 2.976 -8.280 1.00 0.00 O -ATOM 1901 CB LEU A 117 -0.932 0.700 -6.685 1.00 0.00 C -ATOM 1902 CG LEU A 117 0.516 0.282 -6.612 1.00 0.00 C -ATOM 1903 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 0.00 C -ATOM 1904 CD2 LEU A 117 1.258 0.743 -7.862 1.00 0.00 C -ATOM 1905 H LEU A 117 -0.633 2.146 -4.581 1.00 0.00 H -ATOM 1906 HA LEU A 117 -0.428 2.665 -7.401 1.00 0.00 H -ATOM 1907 1HB LEU A 117 -1.470 0.280 -5.836 1.00 0.00 H -ATOM 1908 2HB LEU A 117 -1.374 0.305 -7.600 1.00 0.00 H -ATOM 1909 HG LEU A 117 0.981 0.732 -5.734 1.00 0.00 H -ATOM 1910 1HD1 LEU A 117 1.618 -1.550 -6.416 1.00 0.00 H -ATOM 1911 2HD1 LEU A 117 0.058 -1.532 -5.560 1.00 0.00 H -ATOM 1912 3HD1 LEU A 117 0.100 -1.697 -7.332 1.00 0.00 H -ATOM 1913 1HD2 LEU A 117 2.303 0.437 -7.799 1.00 0.00 H -ATOM 1914 2HD2 LEU A 117 0.801 0.293 -8.743 1.00 0.00 H -ATOM 1915 3HD2 LEU A 117 1.202 1.829 -7.939 1.00 0.00 H -ATOM 1916 N MET A 118 -3.449 2.474 -6.160 1.00 50.00 N -ATOM 1917 CA MET A 118 -4.820 2.841 -6.418 1.00 50.00 C -ATOM 1918 C MET A 118 -4.951 4.264 -6.881 1.00 50.00 C -ATOM 1919 O MET A 118 -5.596 4.530 -7.917 1.00 50.00 O -ATOM 1920 CB MET A 118 -5.656 2.626 -5.186 1.00 50.00 C -ATOM 1921 CG MET A 118 -6.021 1.164 -4.955 1.00 50.00 C -ATOM 1922 SD MET A 118 -6.810 1.082 -3.319 1.00 50.00 S -ATOM 1923 CE MET A 118 -7.400 -0.602 -3.347 1.00 50.00 C -ATOM 1924 H MET A 118 -3.198 2.120 -5.248 1.00 50.00 H -ATOM 1925 HA MET A 118 -5.203 2.207 -7.217 1.00 50.00 H -ATOM 1926 1HB MET A 118 -5.117 2.989 -4.313 1.00 50.00 H -ATOM 1927 2HB MET A 118 -6.577 3.204 -5.266 1.00 50.00 H -ATOM 1928 1HG MET A 118 -6.695 0.829 -5.742 1.00 50.00 H -ATOM 1929 2HG MET A 118 -5.119 0.553 -4.996 1.00 50.00 H -ATOM 1930 1HE MET A 118 -7.914 -0.823 -2.411 1.00 50.00 H -ATOM 1931 2HE MET A 118 -8.091 -0.732 -4.181 1.00 50.00 H -ATOM 1932 3HE MET A 118 -6.556 -1.282 -3.467 1.00 50.00 H -ATOM 1933 N GLY A 119 -4.352 5.179 -6.117 1.00 50.00 N -ATOM 1934 CA GLY A 119 -4.365 6.586 -6.476 1.00 50.00 C -ATOM 1935 C GLY A 119 -3.615 6.890 -7.798 1.00 50.00 C -ATOM 1936 O GLY A 119 -4.042 7.720 -8.598 1.00 50.00 O -ATOM 1937 H GLY A 119 -3.879 4.891 -5.272 1.00 50.00 H -ATOM 1938 1HA GLY A 119 -5.396 6.927 -6.575 1.00 50.00 H -ATOM 1939 2HA GLY A 119 -3.910 7.169 -5.677 1.00 50.00 H -ATOM 1940 N TYR A 120 -2.474 6.216 -7.991 1.00 50.00 N -ATOM 1941 CA TYR A 120 -1.667 6.360 -9.172 1.00 50.00 C -ATOM 1942 C TYR A 120 -2.455 5.990 -10.442 1.00 50.00 C -ATOM 1943 O TYR A 120 -2.555 6.813 -11.414 1.00 50.00 O -ATOM 1944 CB TYR A 120 -0.366 5.541 -9.092 1.00 50.00 C -ATOM 1945 CG TYR A 120 0.527 5.899 -10.253 1.00 50.00 C -ATOM 1946 CD1 TYR A 120 1.366 7.021 -10.228 1.00 50.00 C -ATOM 1947 CD2 TYR A 120 0.494 5.145 -11.404 1.00 50.00 C -ATOM 1948 CE1 TYR A 120 2.161 7.342 -11.326 1.00 50.00 C -ATOM 1949 CE2 TYR A 120 1.257 5.448 -12.495 1.00 50.00 C -ATOM 1950 CZ TYR A 120 2.091 6.546 -12.464 1.00 50.00 C -ATOM 1951 OH TYR A 120 2.786 6.756 -13.594 1.00 50.00 O -ATOM 1952 H TYR A 120 -2.176 5.579 -7.266 1.00 50.00 H -ATOM 1953 HA TYR A 120 -1.394 7.410 -9.278 1.00 50.00 H -ATOM 1954 1HB TYR A 120 0.137 5.749 -8.147 1.00 50.00 H -ATOM 1955 2HB TYR A 120 -0.604 4.478 -9.109 1.00 50.00 H -ATOM 1956 HD1 TYR A 120 1.402 7.655 -9.342 1.00 50.00 H -ATOM 1957 HD2 TYR A 120 -0.158 4.273 -11.466 1.00 50.00 H -ATOM 1958 HE1 TYR A 120 2.809 8.218 -11.292 1.00 50.00 H -ATOM 1959 HE2 TYR A 120 1.205 4.823 -13.387 1.00 50.00 H -ATOM 1960 HH TYR A 120 2.564 6.077 -14.236 1.00 50.00 H -ATOM 1961 N VAL A 121 -2.962 4.745 -10.455 1.00 50.00 N -ATOM 1962 CA VAL A 121 -3.591 4.196 -11.660 1.00 50.00 C -ATOM 1963 C VAL A 121 -4.857 4.987 -11.947 1.00 50.00 C -ATOM 1964 O VAL A 121 -5.111 5.409 -13.091 1.00 50.00 O -ATOM 1965 CB VAL A 121 -3.858 2.680 -11.581 1.00 50.00 C -ATOM 1966 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 50.00 C -ATOM 1967 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 50.00 C -ATOM 1968 H VAL A 121 -2.911 4.174 -9.623 1.00 50.00 H -ATOM 1969 HA VAL A 121 -2.922 4.360 -12.505 1.00 50.00 H -ATOM 1970 HB VAL A 121 -4.460 2.472 -10.696 1.00 50.00 H -ATOM 1971 1HG1 VAL A 121 -4.861 1.123 -12.699 1.00 50.00 H -ATOM 1972 2HG1 VAL A 121 -5.646 2.716 -12.798 1.00 50.00 H -ATOM 1973 3HG1 VAL A 121 -4.148 2.404 -13.707 1.00 50.00 H -ATOM 1974 1HG2 VAL A 121 -2.754 0.846 -11.431 1.00 50.00 H -ATOM 1975 2HG2 VAL A 121 -1.941 2.123 -12.369 1.00 50.00 H -ATOM 1976 3HG2 VAL A 121 -2.008 2.227 -10.593 1.00 50.00 H -ATOM 1977 N TRP A 122 -5.635 5.251 -10.896 1.00 50.00 N -ATOM 1978 CA TRP A 122 -6.866 5.995 -11.078 1.00 50.00 C -ATOM 1979 C TRP A 122 -6.604 7.400 -11.700 1.00 50.00 C -ATOM 1980 O TRP A 122 -7.206 7.769 -12.707 1.00 50.00 O -ATOM 1981 CB TRP A 122 -7.604 6.183 -9.745 1.00 50.00 C -ATOM 1982 CG TRP A 122 -8.849 6.948 -9.971 1.00 50.00 C -ATOM 1983 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 50.00 C -ATOM 1984 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 50.00 C -ATOM 1985 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 50.00 N -ATOM 1986 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 50.00 C -ATOM 1987 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 50.00 C -ATOM 1988 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 50.00 C -ATOM 1989 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 50.00 C -ATOM 1990 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 50.00 C -ATOM 1991 H TRP A 122 -5.381 4.940 -9.969 1.00 50.00 H -ATOM 1992 HA TRP A 122 -7.513 5.433 -11.751 1.00 50.00 H -ATOM 1993 1HB TRP A 122 -7.831 5.208 -9.314 1.00 50.00 H -ATOM 1994 2HB TRP A 122 -6.958 6.709 -9.042 1.00 50.00 H -ATOM 1995 HD1 TRP A 122 -10.047 5.544 -11.097 1.00 50.00 H -ATOM 1996 HE1 TRP A 122 -11.774 7.461 -11.138 1.00 50.00 H -ATOM 1997 HE3 TRP A 122 -7.367 9.031 -8.527 1.00 50.00 H -ATOM 1998 HZ2 TRP A 122 -11.954 10.124 -10.192 1.00 50.00 H -ATOM 1999 HZ3 TRP A 122 -8.367 11.240 -8.128 1.00 50.00 H -ATOM 2000 HH2 TRP A 122 -10.637 11.799 -8.999 1.00 50.00 H -ATOM 2001 N LEU A 123 -5.725 8.170 -11.046 1.00 50.00 N -ATOM 2002 CA LEU A 123 -5.508 9.552 -11.408 1.00 50.00 C -ATOM 2003 C LEU A 123 -4.811 9.636 -12.776 1.00 50.00 C -ATOM 2004 O LEU A 123 -5.165 10.461 -13.600 1.00 50.00 O -ATOM 2005 CB LEU A 123 -4.713 10.308 -10.329 1.00 50.00 C -ATOM 2006 CG LEU A 123 -4.566 11.806 -10.716 1.00 50.00 C -ATOM 2007 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 50.00 C -ATOM 2008 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 50.00 C -ATOM 2009 H LEU A 123 -5.200 7.774 -10.279 1.00 50.00 H -ATOM 2010 HA LEU A 123 -6.477 10.038 -11.514 1.00 50.00 H -ATOM 2011 1HB LEU A 123 -5.237 10.210 -9.379 1.00 50.00 H -ATOM 2012 2HB LEU A 123 -3.733 9.842 -10.229 1.00 50.00 H -ATOM 2013 HG LEU A 123 -4.082 11.885 -11.690 1.00 50.00 H -ATOM 2014 1HD1 LEU A 123 -5.769 13.528 -11.188 1.00 50.00 H -ATOM 2015 2HD1 LEU A 123 -6.464 11.979 -11.719 1.00 50.00 H -ATOM 2016 3HD1 LEU A 123 -6.498 12.427 -9.996 1.00 50.00 H -ATOM 2017 1HD2 LEU A 123 -3.645 13.613 -10.006 1.00 50.00 H -ATOM 2018 2HD2 LEU A 123 -4.200 12.513 -8.721 1.00 50.00 H -ATOM 2019 3HD2 LEU A 123 -2.730 12.128 -9.648 1.00 50.00 H -ATOM 2020 N ARG A 124 -3.839 8.745 -13.008 1.00 0.00 N -ATOM 2021 CA ARG A 124 -3.116 8.728 -14.279 1.00 0.00 C -ATOM 2022 C ARG A 124 -4.111 8.468 -15.410 1.00 0.00 C -ATOM 2023 O ARG A 124 -4.075 9.130 -16.427 1.00 0.00 O -ATOM 2024 CB ARG A 124 -2.002 7.695 -14.218 1.00 0.00 C -ATOM 2025 CG ARG A 124 -1.042 7.669 -15.379 1.00 0.00 C -ATOM 2026 CD ARG A 124 0.020 8.763 -15.333 1.00 0.00 C -ATOM 2027 NE ARG A 124 0.741 8.854 -16.609 1.00 0.00 N -ATOM 2028 CZ ARG A 124 1.825 8.151 -16.951 1.00 0.00 C -ATOM 2029 NH1 ARG A 124 2.394 7.277 -16.142 1.00 0.00 N -ATOM 2030 NH2 ARG A 124 2.369 8.348 -18.127 1.00 0.00 N -ATOM 2031 H ARG A 124 -3.598 8.071 -12.296 1.00 0.00 H -ATOM 2032 HA ARG A 124 -2.679 9.714 -14.442 1.00 0.00 H -ATOM 2033 1HB ARG A 124 -1.405 7.857 -13.322 1.00 0.00 H -ATOM 2034 2HB ARG A 124 -2.435 6.697 -14.147 1.00 0.00 H -ATOM 2035 1HG ARG A 124 -0.517 6.713 -15.396 1.00 0.00 H -ATOM 2036 2HG ARG A 124 -1.594 7.797 -16.311 1.00 0.00 H -ATOM 2037 1HD ARG A 124 -0.455 9.723 -15.132 1.00 0.00 H -ATOM 2038 2HD ARG A 124 0.737 8.541 -14.543 1.00 0.00 H -ATOM 2039 HE ARG A 124 0.394 9.506 -17.300 1.00 0.00 H -ATOM 2040 1HH1 ARG A 124 2.011 7.117 -15.221 1.00 0.00 H -ATOM 2041 2HH1 ARG A 124 3.212 6.768 -16.444 1.00 0.00 H -ATOM 2042 1HH2 ARG A 124 1.968 9.025 -18.762 1.00 0.00 H -ATOM 2043 2HH2 ARG A 124 3.188 7.824 -18.398 1.00 0.00 H -ATOM 2044 N GLY A 125 -5.008 7.501 -15.192 1.00 0.00 N -ATOM 2045 CA GLY A 125 -6.131 7.235 -16.067 1.00 0.00 C -ATOM 2046 C GLY A 125 -6.959 8.472 -16.344 1.00 0.00 C -ATOM 2047 O GLY A 125 -7.183 8.820 -17.487 1.00 0.00 O -ATOM 2048 H GLY A 125 -4.882 6.933 -14.367 1.00 0.00 H -ATOM 2049 1HA GLY A 125 -5.768 6.832 -17.013 1.00 0.00 H -ATOM 2050 2HA GLY A 125 -6.769 6.475 -15.618 1.00 0.00 H -ATOM 2051 N GLU A 126 -7.388 9.160 -15.288 1.00 0.00 N -ATOM 2052 CA GLU A 126 -8.216 10.349 -15.448 1.00 0.00 C -ATOM 2053 C GLU A 126 -7.527 11.472 -16.231 1.00 0.00 C -ATOM 2054 O GLU A 126 -8.157 12.119 -17.061 1.00 0.00 O -ATOM 2055 CB GLU A 126 -8.699 10.870 -14.083 1.00 0.00 C -ATOM 2056 CG GLU A 126 -9.658 9.926 -13.369 1.00 0.00 C -ATOM 2057 CD GLU A 126 -10.897 9.557 -14.193 1.00 0.00 C -ATOM 2058 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 0.00 O -ATOM 2059 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 0.00 O -ATOM 2060 H GLU A 126 -7.138 8.856 -14.358 1.00 0.00 H -ATOM 2061 HA GLU A 126 -9.090 10.085 -16.045 1.00 0.00 H -ATOM 2062 1HB GLU A 126 -7.840 11.038 -13.433 1.00 0.00 H -ATOM 2063 2HB GLU A 126 -9.201 11.828 -14.216 1.00 0.00 H -ATOM 2064 1HG GLU A 126 -9.128 9.007 -13.118 1.00 0.00 H -ATOM 2065 2HG GLU A 126 -9.983 10.390 -12.439 1.00 0.00 H -ATOM 2066 N ARG A 127 -6.236 11.707 -15.959 1.00 0.00 N -ATOM 2067 CA ARG A 127 -5.531 12.884 -16.481 1.00 0.00 C -ATOM 2068 C ARG A 127 -4.816 12.637 -17.806 1.00 0.00 C -ATOM 2069 O ARG A 127 -4.531 13.557 -18.534 1.00 0.00 O -ATOM 2070 CB ARG A 127 -4.521 13.395 -15.453 1.00 0.00 C -ATOM 2071 CG ARG A 127 -5.147 14.027 -14.217 1.00 0.00 C -ATOM 2072 CD ARG A 127 -4.164 14.931 -13.473 1.00 0.00 C -ATOM 2073 NE ARG A 127 -3.875 16.151 -14.228 1.00 0.00 N -ATOM 2074 CZ ARG A 127 -2.666 16.664 -14.467 1.00 0.00 C -ATOM 2075 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 0.00 N -ATOM 2076 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 0.00 N -ATOM 2077 H ARG A 127 -5.735 11.052 -15.376 1.00 0.00 H -ATOM 2078 HA ARG A 127 -6.263 13.669 -16.673 1.00 0.00 H -ATOM 2079 1HB ARG A 127 -3.889 12.571 -15.124 1.00 0.00 H -ATOM 2080 2HB ARG A 127 -3.874 14.139 -15.918 1.00 0.00 H -ATOM 2081 1HG ARG A 127 -6.006 14.630 -14.512 1.00 0.00 H -ATOM 2082 2HG ARG A 127 -5.472 13.243 -13.532 1.00 0.00 H -ATOM 2083 1HD ARG A 127 -4.588 15.215 -12.511 1.00 0.00 H -ATOM 2084 2HD ARG A 127 -3.228 14.397 -13.313 1.00 0.00 H -ATOM 2085 HE ARG A 127 -4.658 16.664 -14.611 1.00 0.00 H -ATOM 2086 1HH1 ARG A 127 -1.625 15.297 -13.391 1.00 0.00 H -ATOM 2087 2HH1 ARG A 127 -0.665 16.535 -14.170 1.00 0.00 H -ATOM 2088 1HH2 ARG A 127 -3.384 18.204 -15.572 1.00 0.00 H -ATOM 2089 2HH2 ARG A 127 -1.646 18.154 -15.383 1.00 0.00 H -ATOM 2090 N ASP A 128 -4.529 11.374 -18.105 1.00 0.00 N -ATOM 2091 CA ASP A 128 -3.569 11.010 -19.129 1.00 0.00 C -ATOM 2092 C ASP A 128 -4.046 9.667 -19.670 1.00 0.00 C -ATOM 2093 O ASP A 128 -3.359 8.654 -19.549 1.00 0.00 O -ATOM 2094 CB ASP A 128 -2.190 10.913 -18.463 1.00 0.00 C -ATOM 2095 CG ASP A 128 -1.048 10.731 -19.441 1.00 0.00 C -ATOM 2096 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 0.00 O -ATOM 2097 OD2 ASP A 128 0.053 10.389 -18.946 1.00 0.00 O -ATOM 2098 H ASP A 128 -5.003 10.644 -17.593 1.00 0.00 H -ATOM 2099 HA ASP A 128 -3.561 11.792 -19.889 1.00 0.00 H -ATOM 2100 1HB ASP A 128 -2.001 11.818 -17.885 1.00 0.00 H -ATOM 2101 2HB ASP A 128 -2.179 10.072 -17.769 1.00 0.00 H -ATOM 2102 N PRO A 129 -5.276 9.635 -20.231 1.00 0.00 N -ATOM 2103 CA PRO A 129 -5.849 8.435 -20.844 1.00 0.00 C -ATOM 2104 C PRO A 129 -4.918 7.453 -21.579 1.00 0.00 C -ATOM 2105 O PRO A 129 -4.894 6.283 -21.242 1.00 0.00 O -ATOM 2106 CB PRO A 129 -6.853 9.031 -21.850 1.00 0.00 C -ATOM 2107 CG PRO A 129 -7.231 10.375 -21.296 1.00 0.00 C -ATOM 2108 CD PRO A 129 -6.212 10.775 -20.265 1.00 0.00 C -ATOM 2109 HA PRO A 129 -6.361 7.843 -20.071 1.00 0.00 H -ATOM 2110 1HB PRO A 129 -6.389 9.108 -22.844 1.00 0.00 H -ATOM 2111 2HB PRO A 129 -7.723 8.365 -21.953 1.00 0.00 H -ATOM 2112 1HG PRO A 129 -7.274 11.120 -22.104 1.00 0.00 H -ATOM 2113 2HG PRO A 129 -8.235 10.333 -20.849 1.00 0.00 H -ATOM 2114 1HD PRO A 129 -5.707 11.698 -20.587 1.00 0.00 H -ATOM 2115 2HD PRO A 129 -6.709 10.923 -19.295 1.00 0.00 H -ATOM 2116 N GLN A 130 -4.195 7.917 -22.595 1.00 0.00 N -ATOM 2117 CA GLN A 130 -3.537 6.989 -23.510 1.00 0.00 C -ATOM 2118 C GLN A 130 -2.043 6.770 -23.231 1.00 0.00 C -ATOM 2119 O GLN A 130 -1.253 6.556 -24.148 1.00 0.00 O -ATOM 2120 CB GLN A 130 -3.791 7.362 -24.986 1.00 0.00 C -ATOM 2121 CG GLN A 130 -5.223 7.788 -25.352 1.00 0.00 C -ATOM 2122 CD GLN A 130 -6.349 6.861 -24.874 1.00 0.00 C -ATOM 2123 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 0.00 O -ATOM 2124 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 0.00 N -ATOM 2125 H GLN A 130 -4.093 8.911 -22.745 1.00 0.00 H -ATOM 2126 HA GLN A 130 -3.941 5.991 -23.341 1.00 0.00 H -ATOM 2127 1HB GLN A 130 -3.137 8.186 -25.271 1.00 0.00 H -ATOM 2128 2HB GLN A 130 -3.544 6.513 -25.623 1.00 0.00 H -ATOM 2129 1HG GLN A 130 -5.424 8.766 -24.913 1.00 0.00 H -ATOM 2130 2HG GLN A 130 -5.309 7.841 -26.437 1.00 0.00 H -ATOM 2131 1HE2 GLN A 130 -8.341 6.590 -25.089 1.00 0.00 H -ATOM 2132 2HE2 GLN A 130 -7.672 7.919 -25.976 1.00 0.00 H -ATOM 2133 N SER A 131 -1.675 6.804 -21.948 1.00 0.00 N -ATOM 2134 CA SER A 131 -0.517 6.066 -21.451 1.00 0.00 C -ATOM 2135 C SER A 131 -0.934 4.597 -21.277 1.00 0.00 C -ATOM 2136 O SER A 131 -0.089 3.739 -20.981 1.00 0.00 O -ATOM 2137 CB SER A 131 0.000 6.652 -20.136 1.00 0.00 C -ATOM 2138 OG SER A 131 -1.052 7.160 -19.329 1.00 0.00 O -ATOM 2139 H SER A 131 -2.218 7.360 -21.303 1.00 0.00 H -ATOM 2140 HA SER A 131 0.282 6.136 -22.191 1.00 0.00 H -ATOM 2141 1HB SER A 131 0.536 5.883 -19.581 1.00 0.00 H -ATOM 2142 2HB SER A 131 0.706 7.454 -20.348 1.00 0.00 H -ATOM 2143 HG SER A 131 -1.861 7.007 -19.822 1.00 0.00 H -ATOM 2144 N GLY A 132 -2.241 4.333 -21.473 1.00 0.00 N -ATOM 2145 CA GLY A 132 -2.815 3.006 -21.507 1.00 0.00 C -ATOM 2146 C GLY A 132 -3.005 2.423 -20.115 1.00 0.00 C -ATOM 2147 O GLY A 132 -3.108 1.205 -19.954 1.00 0.00 O -ATOM 2148 H GLY A 132 -2.844 5.133 -21.603 1.00 0.00 H -ATOM 2149 1HA GLY A 132 -3.779 3.039 -22.015 1.00 0.00 H -ATOM 2150 2HA GLY A 132 -2.170 2.346 -22.086 1.00 0.00 H -ATOM 2151 N ILE A 133 -3.040 3.292 -19.100 1.00 0.00 N -ATOM 2152 CA ILE A 133 -3.266 2.864 -17.735 1.00 0.00 C -ATOM 2153 C ILE A 133 -4.500 3.619 -17.200 1.00 0.00 C -ATOM 2154 O ILE A 133 -4.602 4.848 -17.321 1.00 0.00 O -ATOM 2155 CB ILE A 133 -1.980 3.048 -16.863 1.00 0.00 C -ATOM 2156 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 0.00 C -ATOM 2157 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 0.00 C -ATOM 2158 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 0.00 C -ATOM 2159 H ILE A 133 -2.905 4.274 -19.292 1.00 0.00 H -ATOM 2160 HA ILE A 133 -3.525 1.806 -17.743 1.00 0.00 H -ATOM 2161 HB ILE A 133 -1.096 2.878 -17.478 1.00 0.00 H -ATOM 2162 1HG1 ILE A 133 -2.914 1.636 -15.537 1.00 0.00 H -ATOM 2163 2HG1 ILE A 133 -1.373 1.099 -16.186 1.00 0.00 H -ATOM 2164 1HG2 ILE A 133 -0.968 4.529 -15.669 1.00 0.00 H -ATOM 2165 2HG2 ILE A 133 -1.846 5.188 -17.069 1.00 0.00 H -ATOM 2166 3HG2 ILE A 133 -2.744 4.644 -15.633 1.00 0.00 H -ATOM 2167 1HD1 ILE A 133 -1.212 1.549 -13.803 1.00 0.00 H -ATOM 2168 2HD1 ILE A 133 -0.189 2.681 -14.720 1.00 0.00 H -ATOM 2169 3HD1 ILE A 133 -1.751 3.225 -14.062 1.00 0.00 H -ATOM 2170 N TYR A 134 -5.457 2.867 -16.644 1.00 0.00 N -ATOM 2171 CA TYR A 134 -6.638 3.452 -15.992 1.00 0.00 C -ATOM 2172 C TYR A 134 -7.276 2.441 -15.040 1.00 0.00 C -ATOM 2173 O TYR A 134 -6.990 1.253 -15.087 1.00 0.00 O -ATOM 2174 CB TYR A 134 -7.659 3.931 -17.035 1.00 0.00 C -ATOM 2175 CG TYR A 134 -8.326 2.787 -17.748 1.00 0.00 C -ATOM 2176 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 0.00 C -ATOM 2177 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 0.00 C -ATOM 2178 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 0.00 C -ATOM 2179 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 0.00 C -ATOM 2180 CZ TYR A 134 -9.546 0.645 -19.055 1.00 0.00 C -ATOM 2181 OH TYR A 134 -10.143 -0.401 -19.707 1.00 0.00 O -ATOM 2182 H TYR A 134 -5.360 1.862 -16.676 1.00 0.00 H -ATOM 2183 HA TYR A 134 -6.318 4.312 -15.403 1.00 0.00 H -ATOM 2184 1HB TYR A 134 -8.422 4.537 -16.545 1.00 0.00 H -ATOM 2185 2HB TYR A 134 -7.160 4.563 -17.769 1.00 0.00 H -ATOM 2186 HD1 TYR A 134 -6.633 2.356 -19.027 1.00 0.00 H -ATOM 2187 HD2 TYR A 134 -10.186 2.931 -16.652 1.00 0.00 H -ATOM 2188 HE1 TYR A 134 -7.713 0.473 -20.182 1.00 0.00 H -ATOM 2189 HE2 TYR A 134 -11.254 1.040 -17.802 1.00 0.00 H -ATOM 2190 HH TYR A 134 -11.031 -0.525 -19.364 1.00 0.00 H -ATOM 2191 N LEU A 135 -8.139 2.938 -14.155 1.00 50.00 N -ATOM 2192 CA LEU A 135 -8.880 2.094 -13.229 1.00 50.00 C -ATOM 2193 C LEU A 135 -10.336 2.118 -13.700 1.00 50.00 C -ATOM 2194 O LEU A 135 -11.019 3.138 -13.583 1.00 50.00 O -ATOM 2195 CB LEU A 135 -8.718 2.612 -11.793 1.00 50.00 C -ATOM 2196 CG LEU A 135 -9.164 1.642 -10.707 1.00 50.00 C -ATOM 2197 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 50.00 C -ATOM 2198 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 50.00 C -ATOM 2199 H LEU A 135 -8.280 3.938 -14.130 1.00 50.00 H -ATOM 2200 HA LEU A 135 -8.477 1.083 -13.285 1.00 50.00 H -ATOM 2201 1HB LEU A 135 -7.668 2.849 -11.625 1.00 50.00 H -ATOM 2202 2HB LEU A 135 -9.297 3.529 -11.687 1.00 50.00 H -ATOM 2203 HG LEU A 135 -10.201 1.353 -10.880 1.00 50.00 H -ATOM 2204 1HD1 LEU A 135 -8.732 -0.317 -9.939 1.00 50.00 H -ATOM 2205 2HD1 LEU A 135 -8.512 -0.150 -11.696 1.00 50.00 H -ATOM 2206 3HD1 LEU A 135 -7.318 0.553 -10.579 1.00 50.00 H -ATOM 2207 1HD2 LEU A 135 -9.367 1.612 -8.575 1.00 50.00 H -ATOM 2208 2HD2 LEU A 135 -8.010 2.596 -9.175 1.00 50.00 H -ATOM 2209 3HD2 LEU A 135 -9.679 3.196 -9.326 1.00 50.00 H -ATOM 2210 N GLN A 136 -10.793 0.994 -14.264 1.00 50.00 N -ATOM 2211 CA GLN A 136 -12.173 0.836 -14.686 1.00 50.00 C -ATOM 2212 C GLN A 136 -13.103 1.167 -13.481 1.00 50.00 C -ATOM 2213 O GLN A 136 -12.830 0.791 -12.334 1.00 50.00 O -ATOM 2214 CB GLN A 136 -12.416 -0.589 -15.261 1.00 50.00 C -ATOM 2215 CG GLN A 136 -13.516 -0.674 -16.319 1.00 50.00 C -ATOM 2216 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.00 C -ATOM 2217 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 50.00 O -ATOM 2218 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 50.00 N -ATOM 2219 H GLN A 136 -10.147 0.229 -14.398 1.00 50.00 H -ATOM 2220 HA GLN A 136 -12.381 1.565 -15.470 1.00 50.00 H -ATOM 2221 1HB GLN A 136 -11.496 -0.962 -15.710 1.00 50.00 H -ATOM 2222 2HB GLN A 136 -12.683 -1.267 -14.451 1.00 50.00 H -ATOM 2223 1HG GLN A 136 -14.472 -0.431 -15.855 1.00 50.00 H -ATOM 2224 2HG GLN A 136 -13.296 0.037 -17.115 1.00 50.00 H -ATOM 2225 1HE2 GLN A 136 -14.348 -3.941 -16.654 1.00 50.00 H -ATOM 2226 2HE2 GLN A 136 -14.498 -2.855 -15.313 1.00 50.00 H -ATOM 2227 N ARG A 137 -14.152 1.938 -13.765 1.00 50.00 N -ATOM 2228 CA ARG A 137 -15.281 2.236 -12.886 1.00 50.00 C -ATOM 2229 C ARG A 137 -15.574 1.223 -11.794 1.00 50.00 C -ATOM 2230 O ARG A 137 -15.500 1.506 -10.590 1.00 50.00 O -ATOM 2231 CB ARG A 137 -16.520 2.309 -13.770 1.00 50.00 C -ATOM 2232 CG ARG A 137 -16.683 3.617 -14.500 1.00 50.00 C -ATOM 2233 CD ARG A 137 -17.935 3.540 -15.336 1.00 50.00 C -ATOM 2234 NE ARG A 137 -18.307 4.873 -15.709 1.00 50.00 N -ATOM 2235 CZ ARG A 137 -19.408 5.191 -16.336 1.00 50.00 C -ATOM 2236 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 50.00 N -ATOM 2237 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 50.00 N -ATOM 2238 H ARG A 137 -14.130 2.340 -14.691 1.00 50.00 H -ATOM 2239 HA ARG A 137 -15.100 3.198 -12.405 1.00 50.00 H -ATOM 2240 1HB ARG A 137 -16.485 1.513 -14.512 1.00 50.00 H -ATOM 2241 2HB ARG A 137 -17.411 2.150 -13.162 1.00 50.00 H -ATOM 2242 1HG ARG A 137 -16.766 4.429 -13.777 1.00 50.00 H -ATOM 2243 2HG ARG A 137 -15.816 3.787 -15.140 1.00 50.00 H -ATOM 2244 1HD ARG A 137 -17.742 2.942 -16.226 1.00 50.00 H -ATOM 2245 2HD ARG A 137 -18.732 3.078 -14.755 1.00 50.00 H -ATOM 2246 HE ARG A 137 -17.672 5.623 -15.470 1.00 50.00 H -ATOM 2247 1HH1 ARG A 137 -20.117 3.305 -16.506 1.00 50.00 H -ATOM 2248 2HH1 ARG A 137 -21.128 4.559 -17.189 1.00 50.00 H -ATOM 2249 1HH2 ARG A 137 -18.961 7.150 -16.286 1.00 50.00 H -ATOM 2250 2HH2 ARG A 137 -20.472 6.732 -17.063 1.00 50.00 H -ATOM 2251 N GLY A 138 -15.917 0.011 -12.234 1.00 50.00 N -ATOM 2252 CA GLY A 138 -16.152 -1.093 -11.343 1.00 50.00 C -ATOM 2253 C GLY A 138 -15.083 -1.204 -10.312 1.00 50.00 C -ATOM 2254 O GLY A 138 -15.334 -1.111 -9.126 1.00 50.00 O -ATOM 2255 H GLY A 138 -16.014 -0.131 -13.229 1.00 50.00 H -ATOM 2256 1HA GLY A 138 -17.118 -0.966 -10.853 1.00 50.00 H -ATOM 2257 2HA GLY A 138 -16.202 -2.018 -11.916 1.00 50.00 H -ATOM 2258 N LEU A 139 -13.849 -1.415 -10.762 1.00 0.00 N -ATOM 2259 CA LEU A 139 -12.791 -1.586 -9.828 1.00 0.00 C -ATOM 2260 C LEU A 139 -12.579 -0.373 -8.977 1.00 0.00 C -ATOM 2261 O LEU A 139 -12.099 -0.518 -7.868 1.00 0.00 O -ATOM 2262 CB LEU A 139 -11.470 -2.035 -10.488 1.00 0.00 C -ATOM 2263 CG LEU A 139 -11.356 -3.536 -10.805 1.00 0.00 C -ATOM 2264 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 0.00 C -ATOM 2265 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 0.00 C -ATOM 2266 H LEU A 139 -13.644 -1.457 -11.750 1.00 0.00 H -ATOM 2267 HA LEU A 139 -13.079 -2.359 -9.117 1.00 0.00 H -ATOM 2268 1HB LEU A 139 -11.346 -1.490 -11.422 1.00 0.00 H -ATOM 2269 2HB LEU A 139 -10.644 -1.773 -9.826 1.00 0.00 H -ATOM 2270 HG LEU A 139 -10.322 -3.779 -11.050 1.00 0.00 H -ATOM 2271 1HD1 LEU A 139 -11.614 -5.432 -9.828 1.00 0.00 H -ATOM 2272 2HD1 LEU A 139 -11.014 -4.134 -8.770 1.00 0.00 H -ATOM 2273 3HD1 LEU A 139 -12.722 -4.158 -9.268 1.00 0.00 H -ATOM 2274 1HD2 LEU A 139 -12.129 -4.997 -12.185 1.00 0.00 H -ATOM 2275 2HD2 LEU A 139 -13.278 -3.705 -11.760 1.00 0.00 H -ATOM 2276 3HD2 LEU A 139 -11.931 -3.367 -12.872 1.00 0.00 H -ATOM 2277 N ILE A 140 -12.862 0.826 -9.497 1.00 50.00 N -ATOM 2278 CA ILE A 140 -12.638 1.996 -8.654 1.00 50.00 C -ATOM 2279 C ILE A 140 -13.679 2.069 -7.568 1.00 50.00 C -ATOM 2280 O ILE A 140 -13.344 2.466 -6.459 1.00 50.00 O -ATOM 2281 CB ILE A 140 -12.453 3.353 -9.368 1.00 50.00 C -ATOM 2282 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 50.00 C -ATOM 2283 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 50.00 C -ATOM 2284 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 50.00 C -ATOM 2285 H ILE A 140 -13.218 0.955 -10.433 1.00 50.00 H -ATOM 2286 HA ILE A 140 -11.722 1.842 -8.086 1.00 50.00 H -ATOM 2287 HB ILE A 140 -11.482 3.375 -9.862 1.00 50.00 H -ATOM 2288 1HG1 ILE A 140 -12.290 5.486 -8.890 1.00 50.00 H -ATOM 2289 2HG1 ILE A 140 -13.370 4.607 -7.820 1.00 50.00 H -ATOM 2290 1HG2 ILE A 140 -13.350 4.548 -10.881 1.00 50.00 H -ATOM 2291 2HG2 ILE A 140 -13.469 2.793 -11.150 1.00 50.00 H -ATOM 2292 3HG2 ILE A 140 -14.493 3.576 -9.924 1.00 50.00 H -ATOM 2293 1HD1 ILE A 140 -11.453 5.452 -6.629 1.00 50.00 H -ATOM 2294 2HD1 ILE A 140 -11.443 3.672 -6.622 1.00 50.00 H -ATOM 2295 3HD1 ILE A 140 -10.349 4.564 -7.704 1.00 50.00 H -ATOM 2296 N ILE A 141 -14.912 1.625 -7.857 1.00 50.00 N -ATOM 2297 CA ILE A 141 -15.865 1.446 -6.781 1.00 50.00 C -ATOM 2298 C ILE A 141 -15.268 0.557 -5.681 1.00 50.00 C -ATOM 2299 O ILE A 141 -15.296 0.917 -4.487 1.00 50.00 O -ATOM 2300 CB ILE A 141 -17.181 0.878 -7.275 1.00 50.00 C -ATOM 2301 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 50.00 C -ATOM 2302 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 50.00 C -ATOM 2303 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 50.00 C -ATOM 2304 H ILE A 141 -15.193 1.413 -8.804 1.00 50.00 H -ATOM 2305 HA ILE A 141 -16.067 2.418 -6.333 1.00 50.00 H -ATOM 2306 HB ILE A 141 -16.989 0.133 -8.046 1.00 50.00 H -ATOM 2307 1HG1 ILE A 141 -17.368 2.331 -8.849 1.00 50.00 H -ATOM 2308 2HG1 ILE A 141 -18.893 1.621 -8.343 1.00 50.00 H -ATOM 2309 1HG2 ILE A 141 -18.894 -0.188 -6.496 1.00 50.00 H -ATOM 2310 2HG2 ILE A 141 -17.356 -0.597 -5.703 1.00 50.00 H -ATOM 2311 3HG2 ILE A 141 -18.157 0.951 -5.345 1.00 50.00 H -ATOM 2312 1HD1 ILE A 141 -18.733 3.956 -7.628 1.00 50.00 H -ATOM 2313 2HD1 ILE A 141 -18.786 2.872 -6.218 1.00 50.00 H -ATOM 2314 3HD1 ILE A 141 -17.242 3.592 -6.731 1.00 50.00 H -ATOM 2315 N PHE A 142 -14.686 -0.576 -6.076 1.00 50.00 N -ATOM 2316 CA PHE A 142 -14.227 -1.523 -5.090 1.00 50.00 C -ATOM 2317 C PHE A 142 -12.990 -0.990 -4.376 1.00 50.00 C -ATOM 2318 O PHE A 142 -12.779 -1.253 -3.163 1.00 50.00 O -ATOM 2319 CB PHE A 142 -14.069 -2.912 -5.707 1.00 50.00 C -ATOM 2320 CG PHE A 142 -15.367 -3.495 -6.198 1.00 50.00 C -ATOM 2321 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 50.00 C -ATOM 2322 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 50.00 C -ATOM 2323 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 50.00 C -ATOM 2324 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 50.00 C -ATOM 2325 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 50.00 C -ATOM 2326 H PHE A 142 -14.559 -0.786 -7.056 1.00 50.00 H -ATOM 2327 HA PHE A 142 -14.970 -1.580 -4.293 1.00 50.00 H -ATOM 2328 1HB PHE A 142 -13.375 -2.861 -6.545 1.00 50.00 H -ATOM 2329 2HB PHE A 142 -13.643 -3.591 -4.970 1.00 50.00 H -ATOM 2330 HD1 PHE A 142 -16.234 -3.663 -4.234 1.00 50.00 H -ATOM 2331 HD2 PHE A 142 -14.830 -3.433 -8.282 1.00 50.00 H -ATOM 2332 HE1 PHE A 142 -18.353 -4.625 -5.036 1.00 50.00 H -ATOM 2333 HE2 PHE A 142 -16.965 -4.384 -9.059 1.00 50.00 H -ATOM 2334 HZ PHE A 142 -18.719 -4.933 -7.454 1.00 50.00 H -ATOM 2335 N ALA A 143 -12.184 -0.193 -5.091 1.00 50.00 N -ATOM 2336 CA ALA A 143 -11.047 0.446 -4.455 1.00 50.00 C -ATOM 2337 C ALA A 143 -11.558 1.432 -3.419 1.00 50.00 C -ATOM 2338 O ALA A 143 -11.094 1.489 -2.264 1.00 50.00 O -ATOM 2339 CB ALA A 143 -10.145 1.161 -5.458 1.00 50.00 C -ATOM 2340 H ALA A 143 -12.356 -0.028 -6.073 1.00 50.00 H -ATOM 2341 HA ALA A 143 -10.456 -0.327 -3.963 1.00 50.00 H -ATOM 2342 1HB ALA A 143 -9.309 1.622 -4.932 1.00 50.00 H -ATOM 2343 2HB ALA A 143 -9.764 0.441 -6.183 1.00 50.00 H -ATOM 2344 3HB ALA A 143 -10.716 1.930 -5.976 1.00 50.00 H -ATOM 2345 N LEU A 144 -12.548 2.209 -3.841 1.00 50.00 N -ATOM 2346 CA LEU A 144 -13.133 3.191 -2.989 1.00 50.00 C -ATOM 2347 C LEU A 144 -13.777 2.567 -1.687 1.00 50.00 C -ATOM 2348 O LEU A 144 -13.587 3.072 -0.575 1.00 50.00 O -ATOM 2349 CB LEU A 144 -14.058 4.036 -3.822 1.00 50.00 C -ATOM 2350 CG LEU A 144 -14.677 5.221 -3.110 1.00 50.00 C -ATOM 2351 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 50.00 C -ATOM 2352 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 50.00 C -ATOM 2353 H LEU A 144 -12.896 2.105 -4.783 1.00 50.00 H -ATOM 2354 HA LEU A 144 -12.337 3.810 -2.577 1.00 50.00 H -ATOM 2355 1HB LEU A 144 -13.504 4.415 -4.680 1.00 50.00 H -ATOM 2356 2HB LEU A 144 -14.869 3.406 -4.188 1.00 50.00 H -ATOM 2357 HG LEU A 144 -15.193 4.878 -2.213 1.00 50.00 H -ATOM 2358 1HD1 LEU A 144 -14.161 7.040 -2.087 1.00 50.00 H -ATOM 2359 2HD1 LEU A 144 -12.988 5.719 -1.876 1.00 50.00 H -ATOM 2360 3HD1 LEU A 144 -13.062 6.606 -3.418 1.00 50.00 H -ATOM 2361 1HD2 LEU A 144 -16.135 6.737 -3.596 1.00 50.00 H -ATOM 2362 2HD2 LEU A 144 -15.140 6.207 -4.974 1.00 50.00 H -ATOM 2363 3HD2 LEU A 144 -16.438 5.157 -4.357 1.00 50.00 H -ATOM 2364 N ILE A 145 -14.497 1.453 -1.835 1.00 50.00 N -ATOM 2365 CA ILE A 145 -15.035 0.730 -0.688 1.00 50.00 C -ATOM 2366 C ILE A 145 -13.896 0.259 0.256 1.00 50.00 C -ATOM 2367 O ILE A 145 -14.018 0.353 1.476 1.00 50.00 O -ATOM 2368 CB ILE A 145 -15.927 -0.454 -1.163 1.00 50.00 C -ATOM 2369 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 50.00 C -ATOM 2370 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 50.00 C -ATOM 2371 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 50.00 C -ATOM 2372 H ILE A 145 -14.674 1.102 -2.765 1.00 50.00 H -ATOM 2373 HA ILE A 145 -15.647 1.416 -0.103 1.00 50.00 H -ATOM 2374 HB ILE A 145 -15.397 -1.027 -1.923 1.00 50.00 H -ATOM 2375 1HG1 ILE A 145 -17.872 0.455 -0.948 1.00 50.00 H -ATOM 2376 2HG1 ILE A 145 -17.057 0.858 -2.451 1.00 50.00 H -ATOM 2377 1HG2 ILE A 145 -16.906 -2.201 -0.419 1.00 50.00 H -ATOM 2378 2HG2 ILE A 145 -15.372 -1.809 0.392 1.00 50.00 H -ATOM 2379 3HG2 ILE A 145 -16.829 -0.847 0.734 1.00 50.00 H -ATOM 2380 1HD1 ILE A 145 -18.967 -0.579 -2.846 1.00 50.00 H -ATOM 2381 2HD1 ILE A 145 -17.455 -1.408 -3.289 1.00 50.00 H -ATOM 2382 3HD1 ILE A 145 -18.282 -1.816 -1.767 1.00 50.00 H -ATOM 2383 N TRP A 146 -12.800 -0.251 -0.322 1.00 0.00 N -ATOM 2384 CA TRP A 146 -11.644 -0.714 0.448 1.00 0.00 C -ATOM 2385 C TRP A 146 -11.076 0.432 1.309 1.00 0.00 C -ATOM 2386 O TRP A 146 -10.791 0.273 2.497 1.00 0.00 O -ATOM 2387 CB TRP A 146 -10.558 -1.280 -0.490 1.00 0.00 C -ATOM 2388 CG TRP A 146 -9.649 -2.243 0.222 1.00 0.00 C -ATOM 2389 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 0.00 C -ATOM 2390 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 0.00 C -ATOM 2391 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 0.00 N -ATOM 2392 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 0.00 C -ATOM 2393 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 0.00 C -ATOM 2394 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 0.00 C -ATOM 2395 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 0.00 C -ATOM 2396 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 0.00 C -ATOM 2397 H TRP A 146 -12.778 -0.315 -1.330 1.00 0.00 H -ATOM 2398 HA TRP A 146 -11.971 -1.508 1.119 1.00 0.00 H -ATOM 2399 1HB TRP A 146 -11.032 -1.789 -1.330 1.00 0.00 H -ATOM 2400 2HB TRP A 146 -9.965 -0.461 -0.896 1.00 0.00 H -ATOM 2401 HD1 TRP A 146 -7.682 -1.270 0.160 1.00 0.00 H -ATOM 2402 HE1 TRP A 146 -6.908 -3.371 1.507 1.00 0.00 H -ATOM 2403 HE3 TRP A 146 -12.174 -3.734 0.411 1.00 0.00 H -ATOM 2404 HZ2 TRP A 146 -8.098 -5.721 2.533 1.00 0.00 H -ATOM 2405 HZ3 TRP A 146 -12.292 -5.902 1.592 1.00 0.00 H -ATOM 2406 HH2 TRP A 146 -10.255 -6.893 2.613 1.00 0.00 H -ATOM 2407 N ILE A 147 -10.981 1.608 0.699 1.00 50.00 N -ATOM 2408 CA ILE A 147 -10.475 2.803 1.370 1.00 50.00 C -ATOM 2409 C ILE A 147 -11.420 3.221 2.495 1.00 50.00 C -ATOM 2410 O ILE A 147 -10.995 3.540 3.575 1.00 50.00 O -ATOM 2411 CB ILE A 147 -10.276 3.945 0.343 1.00 50.00 C -ATOM 2412 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 50.00 C -ATOM 2413 CG2 ILE A 147 -9.962 5.252 1.030 1.00 50.00 C -ATOM 2414 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 50.00 C -ATOM 2415 H ILE A 147 -11.272 1.672 -0.266 1.00 50.00 H -ATOM 2416 HA ILE A 147 -9.513 2.565 1.822 1.00 50.00 H -ATOM 2417 HB ILE A 147 -11.187 4.071 -0.242 1.00 50.00 H -ATOM 2418 1HG1 ILE A 147 -8.180 3.655 -0.111 1.00 50.00 H -ATOM 2419 2HG1 ILE A 147 -9.255 2.580 -0.991 1.00 50.00 H -ATOM 2420 1HG2 ILE A 147 -9.827 6.033 0.282 1.00 50.00 H -ATOM 2421 2HG2 ILE A 147 -10.784 5.522 1.692 1.00 50.00 H -ATOM 2422 3HG2 ILE A 147 -9.047 5.146 1.613 1.00 50.00 H -ATOM 2423 1HD1 ILE A 147 -8.270 4.249 -2.482 1.00 50.00 H -ATOM 2424 2HD1 ILE A 147 -10.033 4.469 -2.373 1.00 50.00 H -ATOM 2425 3HD1 ILE A 147 -8.943 5.558 -1.483 1.00 50.00 H -ATOM 2426 N VAL A 148 -12.727 3.205 2.225 1.00 50.00 N -ATOM 2427 CA VAL A 148 -13.723 3.495 3.249 1.00 50.00 C -ATOM 2428 C VAL A 148 -13.614 2.510 4.430 1.00 50.00 C -ATOM 2429 O VAL A 148 -13.745 2.904 5.593 1.00 50.00 O -ATOM 2430 CB VAL A 148 -15.143 3.478 2.666 1.00 50.00 C -ATOM 2431 CG1 VAL A 148 -16.180 3.661 3.764 1.00 50.00 C -ATOM 2432 CG2 VAL A 148 -15.302 4.601 1.634 1.00 50.00 C -ATOM 2433 H VAL A 148 -13.034 2.987 1.288 1.00 50.00 H -ATOM 2434 HA VAL A 148 -13.529 4.492 3.648 1.00 50.00 H -ATOM 2435 HB VAL A 148 -15.317 2.516 2.184 1.00 50.00 H -ATOM 2436 1HG1 VAL A 148 -17.179 3.645 3.327 1.00 50.00 H -ATOM 2437 2HG1 VAL A 148 -16.089 2.852 4.489 1.00 50.00 H -ATOM 2438 3HG1 VAL A 148 -16.018 4.617 4.262 1.00 50.00 H -ATOM 2439 1HG2 VAL A 148 -16.312 4.580 1.226 1.00 50.00 H -ATOM 2440 2HG2 VAL A 148 -15.124 5.564 2.113 1.00 50.00 H -ATOM 2441 3HG2 VAL A 148 -14.582 4.459 0.828 1.00 50.00 H -ATOM 2442 N ALA A 149 -13.403 1.224 4.125 1.00 50.00 N -ATOM 2443 CA ALA A 149 -13.306 0.187 5.150 1.00 50.00 C -ATOM 2444 C ALA A 149 -12.170 0.545 6.122 1.00 50.00 C -ATOM 2445 O ALA A 149 -12.348 0.521 7.359 1.00 50.00 O -ATOM 2446 CB ALA A 149 -13.015 -1.159 4.521 1.00 50.00 C -ATOM 2447 H ALA A 149 -13.308 0.966 3.153 1.00 50.00 H -ATOM 2448 HA ALA A 149 -14.263 0.132 5.668 1.00 50.00 H -ATOM 2449 1HB ALA A 149 -12.947 -1.918 5.301 1.00 50.00 H -ATOM 2450 2HB ALA A 149 -13.818 -1.419 3.831 1.00 50.00 H -ATOM 2451 3HB ALA A 149 -12.072 -1.111 3.979 1.00 50.00 H -ATOM 2452 N GLY A 150 -11.016 0.873 5.532 1.00 50.00 N -ATOM 2453 CA GLY A 150 -9.816 1.259 6.267 1.00 50.00 C -ATOM 2454 C GLY A 150 -10.055 2.506 7.099 1.00 50.00 C -ATOM 2455 O GLY A 150 -9.732 2.519 8.292 1.00 50.00 O -ATOM 2456 H GLY A 150 -10.988 0.848 4.523 1.00 50.00 H -ATOM 2457 1HA GLY A 150 -9.507 0.439 6.916 1.00 50.00 H -ATOM 2458 2HA GLY A 150 -9.002 1.437 5.566 1.00 50.00 H -ATOM 2459 N TRP A 151 -10.692 3.518 6.501 1.00 50.00 N -ATOM 2460 CA TRP A 151 -10.854 4.789 7.175 1.00 50.00 C -ATOM 2461 C TRP A 151 -11.724 4.655 8.445 1.00 50.00 C -ATOM 2462 O TRP A 151 -11.417 5.174 9.498 1.00 50.00 O -ATOM 2463 CB TRP A 151 -11.450 5.861 6.239 1.00 50.00 C -ATOM 2464 CG TRP A 151 -11.406 7.185 6.895 1.00 50.00 C -ATOM 2465 CD1 TRP A 151 -12.451 7.907 7.416 1.00 50.00 C -ATOM 2466 CD2 TRP A 151 -10.217 7.917 7.207 1.00 50.00 C -ATOM 2467 NE1 TRP A 151 -11.990 9.068 7.986 1.00 50.00 N -ATOM 2468 CE2 TRP A 151 -10.619 9.095 7.887 1.00 50.00 C -ATOM 2469 CE3 TRP A 151 -8.844 7.698 6.964 1.00 50.00 C -ATOM 2470 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 50.00 C -ATOM 2471 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 50.00 C -ATOM 2472 CH2 TRP A 151 -8.360 9.809 8.085 1.00 50.00 C -ATOM 2473 H TRP A 151 -11.067 3.403 5.570 1.00 50.00 H -ATOM 2474 HA TRP A 151 -9.873 5.134 7.502 1.00 50.00 H -ATOM 2475 1HB TRP A 151 -10.886 5.884 5.307 1.00 50.00 H -ATOM 2476 2HB TRP A 151 -12.478 5.598 5.993 1.00 50.00 H -ATOM 2477 HD1 TRP A 151 -13.496 7.603 7.382 1.00 50.00 H -ATOM 2478 HE1 TRP A 151 -12.563 9.784 8.408 1.00 50.00 H -ATOM 2479 HE3 TRP A 151 -8.510 6.804 6.439 1.00 50.00 H -ATOM 2480 HZ2 TRP A 151 -9.999 10.957 8.860 1.00 50.00 H -ATOM 2481 HZ3 TRP A 151 -6.873 8.458 7.223 1.00 50.00 H -ATOM 2482 HH2 TRP A 151 -7.613 10.531 8.414 1.00 50.00 H -ATOM 2483 N PHE A 152 -12.842 3.951 8.320 1.00 50.00 N -ATOM 2484 CA PHE A 152 -13.764 3.779 9.394 1.00 50.00 C -ATOM 2485 C PHE A 152 -13.472 2.497 10.160 1.00 50.00 C -ATOM 2486 O PHE A 152 -14.225 2.123 10.984 1.00 50.00 O -ATOM 2487 CB PHE A 152 -15.187 3.803 8.834 1.00 50.00 C -ATOM 2488 CG PHE A 152 -15.601 5.131 8.330 1.00 50.00 C -ATOM 2489 CD1 PHE A 152 -16.002 6.103 9.203 1.00 50.00 C -ATOM 2490 CD2 PHE A 152 -15.553 5.412 6.983 1.00 50.00 C -ATOM 2491 CE1 PHE A 152 -16.399 7.350 8.742 1.00 50.00 C -ATOM 2492 CE2 PHE A 152 -15.919 6.654 6.504 1.00 50.00 C -ATOM 2493 CZ PHE A 152 -16.361 7.628 7.384 1.00 50.00 C -ATOM 2494 H PHE A 152 -13.041 3.523 7.427 1.00 50.00 H -ATOM 2495 HA PHE A 152 -13.637 4.605 10.095 1.00 50.00 H -ATOM 2496 1HB PHE A 152 -15.269 3.086 8.018 1.00 50.00 H -ATOM 2497 2HB PHE A 152 -15.888 3.497 9.609 1.00 50.00 H -ATOM 2498 HD1 PHE A 152 -16.007 5.889 10.272 1.00 50.00 H -ATOM 2499 HD2 PHE A 152 -15.205 4.643 6.293 1.00 50.00 H -ATOM 2500 HE1 PHE A 152 -16.739 8.108 9.447 1.00 50.00 H -ATOM 2501 HE2 PHE A 152 -15.862 6.870 5.437 1.00 50.00 H -ATOM 2502 HZ PHE A 152 -16.678 8.603 7.017 1.00 50.00 H -ATOM 2503 N ASP A 153 -12.334 1.858 9.897 1.00 50.00 N -ATOM 2504 CA ASP A 153 -11.897 0.668 10.618 1.00 50.00 C -ATOM 2505 C ASP A 153 -12.957 -0.394 10.660 1.00 50.00 C -ATOM 2506 O ASP A 153 -13.323 -0.884 11.714 1.00 50.00 O -ATOM 2507 CB ASP A 153 -11.394 0.936 12.066 1.00 50.00 C -ATOM 2508 CG ASP A 153 -10.541 -0.277 12.620 1.00 50.00 C -ATOM 2509 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 50.00 O -ATOM 2510 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 50.00 O -ATOM 2511 H ASP A 153 -11.753 2.227 9.158 1.00 50.00 H -ATOM 2512 HA ASP A 153 -11.063 0.222 10.076 1.00 50.00 H -ATOM 2513 1HB ASP A 153 -10.786 1.841 12.078 1.00 50.00 H -ATOM 2514 2HB ASP A 153 -12.248 1.107 12.722 1.00 50.00 H -ATOM 2515 N LEU A 154 -13.415 -0.795 9.476 1.00 50.00 N -ATOM 2516 CA LEU A 154 -14.434 -1.817 9.380 1.00 50.00 C -ATOM 2517 C LEU A 154 -13.824 -3.230 9.518 1.00 50.00 C -ATOM 2518 O LEU A 154 -14.518 -4.206 9.461 1.00 50.00 O -ATOM 2519 CB LEU A 154 -15.242 -1.589 8.094 1.00 50.00 C -ATOM 2520 CG LEU A 154 -15.959 -0.224 8.045 1.00 50.00 C -ATOM 2521 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 50.00 C -ATOM 2522 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 50.00 C -ATOM 2523 H LEU A 154 -13.050 -0.383 8.629 1.00 50.00 H -ATOM 2524 HA LEU A 154 -15.093 -1.730 10.243 1.00 50.00 H -ATOM 2525 1HB LEU A 154 -14.567 -1.660 7.243 1.00 50.00 H -ATOM 2526 2HB LEU A 154 -15.988 -2.379 8.007 1.00 50.00 H -ATOM 2527 HG LEU A 154 -15.218 0.575 8.016 1.00 50.00 H -ATOM 2528 1HD1 LEU A 154 -17.272 0.894 6.738 1.00 50.00 H -ATOM 2529 2HD1 LEU A 154 -16.112 -0.153 5.888 1.00 50.00 H -ATOM 2530 3HD1 LEU A 154 -17.526 -0.867 6.699 1.00 50.00 H -ATOM 2531 1HD2 LEU A 154 -17.325 0.960 9.180 1.00 50.00 H -ATOM 2532 2HD2 LEU A 154 -17.595 -0.796 9.291 1.00 50.00 H -ATOM 2533 3HD2 LEU A 154 -16.230 -0.050 10.155 1.00 50.00 H -ATOM 2534 N PHE A 155 -12.525 -3.299 9.796 1.00 0.00 N -ATOM 2535 CA PHE A 155 -11.747 -4.537 9.869 1.00 0.00 C -ATOM 2536 C PHE A 155 -11.427 -4.985 11.278 1.00 0.00 C -ATOM 2537 O PHE A 155 -11.794 -4.306 12.241 1.00 0.00 O -ATOM 2538 CB PHE A 155 -10.426 -4.311 9.168 1.00 0.00 C -ATOM 2539 CG PHE A 155 -10.553 -4.208 7.675 1.00 0.00 C -ATOM 2540 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 0.00 C -ATOM 2541 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 0.00 C -ATOM 2542 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 0.00 C -ATOM 2543 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 0.00 C -ATOM 2544 CZ PHE A 155 -10.716 -4.068 4.896 1.00 0.00 C -ATOM 2545 H PHE A 155 -12.063 -2.417 9.966 1.00 0.00 H -ATOM 2546 HA PHE A 155 -12.303 -5.326 9.360 1.00 0.00 H -ATOM 2547 1HB PHE A 155 -9.970 -3.394 9.538 1.00 0.00 H -ATOM 2548 2HB PHE A 155 -9.747 -5.130 9.399 1.00 0.00 H -ATOM 2549 HD1 PHE A 155 -11.689 -6.025 7.478 1.00 0.00 H -ATOM 2550 HD2 PHE A 155 -9.429 -2.375 7.544 1.00 0.00 H -ATOM 2551 HE1 PHE A 155 -11.843 -5.895 5.017 1.00 0.00 H -ATOM 2552 HE2 PHE A 155 -9.583 -2.244 5.073 1.00 0.00 H -ATOM 2553 HZ PHE A 155 -10.773 -4.013 3.810 1.00 0.00 H -ATOM 2554 N GLY A 156 -10.741 -6.138 11.370 1.00 50.00 N -ATOM 2555 CA GLY A 156 -10.259 -6.713 12.613 1.00 50.00 C -ATOM 2556 C GLY A 156 -9.448 -5.769 13.495 1.00 50.00 C -ATOM 2557 O GLY A 156 -9.930 -5.275 14.487 1.00 50.00 O -ATOM 2558 H GLY A 156 -10.560 -6.621 10.502 1.00 50.00 H -ATOM 2559 1HA GLY A 156 -11.105 -7.068 13.202 1.00 50.00 H -ATOM 2560 2HA GLY A 156 -9.634 -7.578 12.395 1.00 50.00 H -ATOM 2561 N MET A 157 -8.197 -5.529 13.132 1.00 0.00 N -ATOM 2562 CA MET A 157 -7.296 -4.782 13.983 1.00 0.00 C -ATOM 2563 C MET A 157 -7.309 -3.314 13.608 1.00 0.00 C -ATOM 2564 O MET A 157 -7.988 -2.945 12.691 1.00 0.00 O -ATOM 2565 CB MET A 157 -5.888 -5.384 13.942 1.00 0.00 C -ATOM 2566 CG MET A 157 -4.977 -5.066 12.746 1.00 0.00 C -ATOM 2567 SD MET A 157 -3.201 -5.170 13.219 1.00 0.00 S -ATOM 2568 CE MET A 157 -3.110 -6.845 13.890 1.00 0.00 C -ATOM 2569 H MET A 157 -7.862 -5.873 12.243 1.00 0.00 H -ATOM 2570 HA MET A 157 -7.665 -4.834 15.007 1.00 0.00 H -ATOM 2571 1HB MET A 157 -5.331 -5.066 14.822 1.00 0.00 H -ATOM 2572 2HB MET A 157 -5.956 -6.472 13.973 1.00 0.00 H -ATOM 2573 1HG MET A 157 -5.176 -5.771 11.940 1.00 0.00 H -ATOM 2574 2HG MET A 157 -5.193 -4.062 12.381 1.00 0.00 H -ATOM 2575 1HE MET A 157 -2.091 -7.051 14.218 1.00 0.00 H -ATOM 2576 2HE MET A 157 -3.790 -6.935 14.738 1.00 0.00 H -ATOM 2577 3HE MET A 157 -3.395 -7.562 13.119 1.00 0.00 H -ATOM 2578 N SER A 158 -6.545 -2.486 14.332 1.00 0.00 N -ATOM 2579 CA SER A 158 -6.371 -1.083 13.990 1.00 0.00 C -ATOM 2580 C SER A 158 -5.723 -0.865 12.615 1.00 0.00 C -ATOM 2581 O SER A 158 -4.885 -1.642 12.143 1.00 0.00 O -ATOM 2582 CB SER A 158 -5.528 -0.392 15.033 1.00 0.00 C -ATOM 2583 OG SER A 158 -6.103 -0.594 16.277 1.00 0.00 O -ATOM 2584 H SER A 158 -6.074 -2.856 15.145 1.00 0.00 H -ATOM 2585 HA SER A 158 -7.353 -0.609 13.962 1.00 0.00 H -ATOM 2586 1HB SER A 158 -4.515 -0.793 15.006 1.00 0.00 H -ATOM 2587 2HB SER A 158 -5.466 0.671 14.804 1.00 0.00 H -ATOM 2588 HG SER A 158 -6.888 -1.125 16.123 1.00 0.00 H -ATOM 2589 N MET A 159 -6.134 0.218 11.965 1.00 50.00 N -ATOM 2590 CA MET A 159 -5.626 0.533 10.656 1.00 50.00 C -ATOM 2591 C MET A 159 -4.494 1.523 10.841 1.00 50.00 C -ATOM 2592 O MET A 159 -4.517 2.376 11.736 1.00 50.00 O -ATOM 2593 CB MET A 159 -6.745 1.116 9.771 1.00 50.00 C -ATOM 2594 CG MET A 159 -7.820 0.102 9.390 1.00 50.00 C -ATOM 2595 SD MET A 159 -7.275 -1.096 8.176 1.00 50.00 S -ATOM 2596 CE MET A 159 -7.001 -2.494 9.284 1.00 50.00 C -ATOM 2597 H MET A 159 -6.813 0.833 12.390 1.00 50.00 H -ATOM 2598 HA MET A 159 -5.261 -0.385 10.197 1.00 50.00 H -ATOM 2599 1HB MET A 159 -7.227 1.943 10.291 1.00 50.00 H -ATOM 2600 2HB MET A 159 -6.312 1.515 8.853 1.00 50.00 H -ATOM 2601 1HG MET A 159 -8.139 -0.441 10.279 1.00 50.00 H -ATOM 2602 2HG MET A 159 -8.685 0.625 8.982 1.00 50.00 H -ATOM 2603 1HE MET A 159 -6.653 -3.352 8.708 1.00 50.00 H -ATOM 2604 2HE MET A 159 -6.250 -2.227 10.029 1.00 50.00 H -ATOM 2605 3HE MET A 159 -7.935 -2.749 9.786 1.00 50.00 H -ATOM 2606 N ALA A 160 -3.483 1.408 9.985 1.00 0.00 N -ATOM 2607 CA ALA A 160 -2.404 2.387 9.960 1.00 0.00 C -ATOM 2608 C ALA A 160 -2.957 3.541 9.127 1.00 0.00 C -ATOM 2609 O ALA A 160 -2.830 3.541 7.914 1.00 0.00 O -ATOM 2610 CB ALA A 160 -1.154 1.742 9.332 1.00 0.00 C -ATOM 2611 H ALA A 160 -3.458 0.631 9.340 1.00 0.00 H -ATOM 2612 HA ALA A 160 -2.186 2.678 10.988 1.00 0.00 H -ATOM 2613 1HB ALA A 160 -0.342 2.469 9.310 1.00 0.00 H -ATOM 2614 2HB ALA A 160 -0.853 0.879 9.926 1.00 0.00 H -ATOM 2615 3HB ALA A 160 -1.382 1.422 8.317 1.00 0.00 H -ATOM 2616 N ASN A 161 -3.611 4.500 9.793 1.00 50.00 N -ATOM 2617 CA ASN A 161 -4.283 5.606 9.107 1.00 50.00 C -ATOM 2618 C ASN A 161 -3.294 6.555 8.450 1.00 50.00 C -ATOM 2619 O ASN A 161 -3.554 7.064 7.361 1.00 50.00 O -ATOM 2620 CB ASN A 161 -5.188 6.414 10.022 1.00 50.00 C -ATOM 2621 CG ASN A 161 -6.345 5.596 10.571 1.00 50.00 C -ATOM 2622 OD1 ASN A 161 -6.553 5.558 11.777 1.00 50.00 O -ATOM 2623 ND2 ASN A 161 -7.097 4.942 9.700 1.00 50.00 N -ATOM 2624 H ASN A 161 -3.640 4.456 10.802 1.00 50.00 H -ATOM 2625 HA ASN A 161 -4.908 5.193 8.314 1.00 50.00 H -ATOM 2626 1HB ASN A 161 -4.606 6.804 10.858 1.00 50.00 H -ATOM 2627 2HB ASN A 161 -5.589 7.268 9.476 1.00 50.00 H -ATOM 2628 1HD2 ASN A 161 -7.869 4.392 10.020 1.00 50.00 H -ATOM 2629 2HD2 ASN A 161 -6.894 4.998 8.723 1.00 50.00 H -ATOM 2630 N GLY A 162 -2.133 6.718 9.085 1.00 50.00 N -ATOM 2631 CA GLY A 162 -1.093 7.574 8.553 1.00 50.00 C -ATOM 2632 C GLY A 162 -0.479 6.964 7.328 1.00 50.00 C -ATOM 2633 O GLY A 162 -0.303 7.642 6.350 1.00 50.00 O -ATOM 2634 H GLY A 162 -1.974 6.234 9.957 1.00 50.00 H -ATOM 2635 1HA GLY A 162 -1.513 8.550 8.312 1.00 50.00 H -ATOM 2636 2HA GLY A 162 -0.328 7.732 9.313 1.00 50.00 H -ATOM 2637 N ALA A 163 -0.138 5.673 7.390 1.00 0.00 N -ATOM 2638 CA ALA A 163 0.364 4.973 6.219 1.00 0.00 C -ATOM 2639 C ALA A 163 -0.644 5.070 5.069 1.00 0.00 C -ATOM 2640 O ALA A 163 -0.237 5.149 3.912 1.00 0.00 O -ATOM 2641 CB ALA A 163 0.676 3.505 6.507 1.00 0.00 C -ATOM 2642 H ALA A 163 -0.229 5.171 8.262 1.00 0.00 H -ATOM 2643 HA ALA A 163 1.289 5.457 5.906 1.00 0.00 H -ATOM 2644 1HB ALA A 163 1.048 3.027 5.600 1.00 0.00 H -ATOM 2645 2HB ALA A 163 1.434 3.440 7.288 1.00 0.00 H -ATOM 2646 3HB ALA A 163 -0.230 2.999 6.838 1.00 0.00 H -ATOM 2647 N HIS A 164 -1.951 4.975 5.371 1.00 50.00 N -ATOM 2648 CA HIS A 164 -2.958 4.974 4.298 1.00 50.00 C -ATOM 2649 C HIS A 164 -3.026 6.315 3.587 1.00 50.00 C -ATOM 2650 O HIS A 164 -3.044 6.360 2.347 1.00 50.00 O -ATOM 2651 CB HIS A 164 -4.335 4.565 4.794 1.00 50.00 C -ATOM 2652 CG HIS A 164 -4.469 3.097 5.028 1.00 50.00 C -ATOM 2653 ND1 HIS A 164 -5.401 2.562 5.888 1.00 50.00 N -ATOM 2654 CD2 HIS A 164 -3.771 2.048 4.538 1.00 50.00 C -ATOM 2655 CE1 HIS A 164 -5.308 1.247 5.879 1.00 50.00 C -ATOM 2656 NE2 HIS A 164 -4.311 0.906 5.084 1.00 50.00 N -ATOM 2657 H HIS A 164 -2.255 4.904 6.331 1.00 50.00 H -ATOM 2658 HA HIS A 164 -2.669 4.259 3.528 1.00 50.00 H -ATOM 2659 1HB HIS A 164 -4.554 5.084 5.728 1.00 50.00 H -ATOM 2660 2HB HIS A 164 -5.088 4.867 4.067 1.00 50.00 H -ATOM 2661 HD2 HIS A 164 -2.934 2.099 3.842 1.00 50.00 H -ATOM 2662 HE1 HIS A 164 -5.946 0.559 6.433 1.00 50.00 H -ATOM 2663 HE2 HIS A 164 -3.995 -0.036 4.904 1.00 50.00 H -ATOM 2664 N ILE A 165 -3.071 7.394 4.383 1.00 50.00 N -ATOM 2665 CA ILE A 165 -3.229 8.733 3.872 1.00 50.00 C -ATOM 2666 C ILE A 165 -1.964 9.076 3.076 1.00 50.00 C -ATOM 2667 O ILE A 165 -2.040 9.587 1.980 1.00 50.00 O -ATOM 2668 CB ILE A 165 -3.393 9.796 4.981 1.00 50.00 C -ATOM 2669 CG1 ILE A 165 -4.583 9.512 5.874 1.00 50.00 C -ATOM 2670 CG2 ILE A 165 -3.602 11.175 4.368 1.00 50.00 C -ATOM 2671 CD1 ILE A 165 -4.469 10.182 7.244 1.00 50.00 C -ATOM 2672 H ILE A 165 -2.990 7.254 5.380 1.00 50.00 H -ATOM 2673 HA ILE A 165 -4.129 8.765 3.259 1.00 50.00 H -ATOM 2674 HB ILE A 165 -2.497 9.816 5.601 1.00 50.00 H -ATOM 2675 1HG1 ILE A 165 -5.494 9.860 5.388 1.00 50.00 H -ATOM 2676 2HG1 ILE A 165 -4.681 8.436 6.018 1.00 50.00 H -ATOM 2677 1HG2 ILE A 165 -3.716 11.913 5.162 1.00 50.00 H -ATOM 2678 2HG2 ILE A 165 -2.741 11.434 3.754 1.00 50.00 H -ATOM 2679 3HG2 ILE A 165 -4.499 11.166 3.749 1.00 50.00 H -ATOM 2680 1HD1 ILE A 165 -5.350 9.943 7.841 1.00 50.00 H -ATOM 2681 2HD1 ILE A 165 -3.576 9.819 7.754 1.00 50.00 H -ATOM 2682 3HD1 ILE A 165 -4.401 11.261 7.116 1.00 50.00 H -ATOM 2683 N ALA A 166 -0.797 8.779 3.647 1.00 50.00 N -ATOM 2684 CA ALA A 166 0.461 9.080 3.004 1.00 50.00 C -ATOM 2685 C ALA A 166 0.664 8.321 1.649 1.00 50.00 C -ATOM 2686 O ALA A 166 1.108 8.901 0.658 1.00 50.00 O -ATOM 2687 CB ALA A 166 1.574 8.814 3.970 1.00 50.00 C -ATOM 2688 H ALA A 166 -0.792 8.332 4.553 1.00 50.00 H -ATOM 2689 HA ALA A 166 0.458 10.135 2.731 1.00 50.00 H -ATOM 2690 1HB ALA A 166 2.529 9.038 3.495 1.00 50.00 H -ATOM 2691 2HB ALA A 166 1.450 9.444 4.851 1.00 50.00 H -ATOM 2692 3HB ALA A 166 1.554 7.767 4.268 1.00 50.00 H -ATOM 2693 N GLY A 167 0.284 7.049 1.612 1.00 0.00 N -ATOM 2694 CA GLY A 167 0.439 6.199 0.445 1.00 0.00 C -ATOM 2695 C GLY A 167 -0.467 6.715 -0.657 1.00 0.00 C -ATOM 2696 O GLY A 167 -0.024 6.926 -1.779 1.00 0.00 O -ATOM 2697 H GLY A 167 -0.134 6.666 2.448 1.00 0.00 H -ATOM 2698 1HA GLY A 167 1.482 6.204 0.127 1.00 0.00 H -ATOM 2699 2HA GLY A 167 0.188 5.172 0.707 1.00 0.00 H -ATOM 2700 N LEU A 168 -1.731 6.985 -0.312 1.00 50.00 N -ATOM 2701 CA LEU A 168 -2.696 7.517 -1.286 1.00 50.00 C -ATOM 2702 C LEU A 168 -2.163 8.834 -1.878 1.00 50.00 C -ATOM 2703 O LEU A 168 -2.162 8.995 -3.085 1.00 50.00 O -ATOM 2704 CB LEU A 168 -4.066 7.763 -0.643 1.00 50.00 C -ATOM 2705 CG LEU A 168 -5.214 8.272 -1.534 1.00 50.00 C -ATOM 2706 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 50.00 C -ATOM 2707 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 50.00 C -ATOM 2708 H LEU A 168 -2.031 6.820 0.638 1.00 50.00 H -ATOM 2709 HA LEU A 168 -2.822 6.785 -2.083 1.00 50.00 H -ATOM 2710 1HB LEU A 168 -4.414 6.831 -0.200 1.00 50.00 H -ATOM 2711 2HB LEU A 168 -3.949 8.498 0.153 1.00 50.00 H -ATOM 2712 HG LEU A 168 -4.964 9.261 -1.920 1.00 50.00 H -ATOM 2713 1HD1 LEU A 168 -6.257 7.746 -3.342 1.00 50.00 H -ATOM 2714 2HD1 LEU A 168 -4.532 7.313 -3.336 1.00 50.00 H -ATOM 2715 3HD1 LEU A 168 -5.693 6.355 -2.387 1.00 50.00 H -ATOM 2716 1HD2 LEU A 168 -7.302 8.701 -1.287 1.00 50.00 H -ATOM 2717 2HD2 LEU A 168 -6.704 7.349 -0.295 1.00 50.00 H -ATOM 2718 3HD2 LEU A 168 -6.306 9.026 0.152 1.00 50.00 H -ATOM 2719 N ALA A 169 -1.712 9.746 -1.003 1.00 50.00 N -ATOM 2720 CA ALA A 169 -1.125 11.018 -1.399 1.00 50.00 C -ATOM 2721 C ALA A 169 0.039 10.857 -2.376 1.00 50.00 C -ATOM 2722 O ALA A 169 0.122 11.566 -3.354 1.00 50.00 O -ATOM 2723 CB ALA A 169 -0.655 11.790 -0.174 1.00 50.00 C -ATOM 2724 H ALA A 169 -1.790 9.525 -0.021 1.00 50.00 H -ATOM 2725 HA ALA A 169 -1.892 11.600 -1.910 1.00 50.00 H -ATOM 2726 1HB ALA A 169 -0.219 12.739 -0.487 1.00 50.00 H -ATOM 2727 2HB ALA A 169 -1.503 11.980 0.484 1.00 50.00 H -ATOM 2728 3HB ALA A 169 0.093 11.205 0.359 1.00 50.00 H -ATOM 2729 N VAL A 170 0.961 9.945 -2.058 1.00 50.00 N -ATOM 2730 CA VAL A 170 2.125 9.690 -2.900 1.00 50.00 C -ATOM 2731 C VAL A 170 1.696 9.250 -4.321 1.00 50.00 C -ATOM 2732 O VAL A 170 2.227 9.733 -5.309 1.00 50.00 O -ATOM 2733 CB VAL A 170 3.022 8.616 -2.266 1.00 50.00 C -ATOM 2734 CG1 VAL A 170 3.965 7.995 -3.280 1.00 50.00 C -ATOM 2735 CG2 VAL A 170 3.825 9.209 -1.161 1.00 50.00 C -ATOM 2736 H VAL A 170 0.845 9.416 -1.205 1.00 50.00 H -ATOM 2737 HA VAL A 170 2.697 10.614 -2.989 1.00 50.00 H -ATOM 2738 HB VAL A 170 2.393 7.818 -1.870 1.00 50.00 H -ATOM 2739 1HG1 VAL A 170 4.581 7.241 -2.790 1.00 50.00 H -ATOM 2740 2HG1 VAL A 170 3.386 7.528 -4.077 1.00 50.00 H -ATOM 2741 3HG1 VAL A 170 4.607 8.768 -3.701 1.00 50.00 H -ATOM 2742 1HG2 VAL A 170 4.457 8.440 -0.717 1.00 50.00 H -ATOM 2743 2HG2 VAL A 170 4.450 10.010 -1.555 1.00 50.00 H -ATOM 2744 3HG2 VAL A 170 3.156 9.612 -0.400 1.00 50.00 H -ATOM 2745 N GLY A 171 0.735 8.332 -4.388 1.00 50.00 N -ATOM 2746 CA GLY A 171 0.204 7.817 -5.630 1.00 50.00 C -ATOM 2747 C GLY A 171 -0.390 8.924 -6.496 1.00 50.00 C -ATOM 2748 O GLY A 171 -0.091 9.054 -7.681 1.00 50.00 O -ATOM 2749 H GLY A 171 0.366 7.985 -3.514 1.00 50.00 H -ATOM 2750 1HA GLY A 171 0.996 7.311 -6.183 1.00 50.00 H -ATOM 2751 2HA GLY A 171 -0.564 7.074 -5.417 1.00 50.00 H -ATOM 2752 N LEU A 172 -1.279 9.711 -5.892 1.00 50.00 N -ATOM 2753 CA LEU A 172 -1.934 10.817 -6.579 1.00 50.00 C -ATOM 2754 C LEU A 172 -0.900 11.798 -7.127 1.00 50.00 C -ATOM 2755 O LEU A 172 -0.999 12.248 -8.262 1.00 50.00 O -ATOM 2756 CB LEU A 172 -2.907 11.536 -5.652 1.00 50.00 C -ATOM 2757 CG LEU A 172 -4.128 10.678 -5.252 1.00 50.00 C -ATOM 2758 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 50.00 C -ATOM 2759 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 50.00 C -ATOM 2760 H LEU A 172 -1.504 9.531 -4.924 1.00 50.00 H -ATOM 2761 HA LEU A 172 -2.495 10.416 -7.422 1.00 50.00 H -ATOM 2762 1HB LEU A 172 -2.374 11.830 -4.749 1.00 50.00 H -ATOM 2763 2HB LEU A 172 -3.260 12.438 -6.151 1.00 50.00 H -ATOM 2764 HG LEU A 172 -3.794 9.820 -4.667 1.00 50.00 H -ATOM 2765 1HD1 LEU A 172 -5.875 10.855 -4.008 1.00 50.00 H -ATOM 2766 2HD1 LEU A 172 -4.445 11.717 -3.394 1.00 50.00 H -ATOM 2767 3HD1 LEU A 172 -5.359 12.376 -4.772 1.00 50.00 H -ATOM 2768 1HD2 LEU A 172 -5.785 9.522 -5.985 1.00 50.00 H -ATOM 2769 2HD2 LEU A 172 -5.355 10.920 -7.000 1.00 50.00 H -ATOM 2770 3HD2 LEU A 172 -4.333 9.462 -7.012 1.00 50.00 H -ATOM 2771 N ALA A 173 0.112 12.094 -6.313 1.00 50.00 N -ATOM 2772 CA ALA A 173 1.126 13.088 -6.614 1.00 50.00 C -ATOM 2773 C ALA A 173 2.056 12.649 -7.741 1.00 50.00 C -ATOM 2774 O ALA A 173 2.455 13.451 -8.558 1.00 50.00 O -ATOM 2775 CB ALA A 173 1.934 13.418 -5.348 1.00 50.00 C -ATOM 2776 H ALA A 173 0.162 11.589 -5.440 1.00 50.00 H -ATOM 2777 HA ALA A 173 0.623 13.991 -6.960 1.00 50.00 H -ATOM 2778 1HB ALA A 173 2.692 14.165 -5.585 1.00 50.00 H -ATOM 2779 2HB ALA A 173 1.265 13.810 -4.581 1.00 50.00 H -ATOM 2780 3HB ALA A 173 2.418 12.515 -4.980 1.00 50.00 H -ATOM 2781 N MET A 174 2.456 11.374 -7.721 1.00 50.00 N -ATOM 2782 CA MET A 174 3.263 10.831 -8.793 1.00 50.00 C -ATOM 2783 C MET A 174 2.489 10.773 -10.114 1.00 50.00 C -ATOM 2784 O MET A 174 3.076 10.989 -11.207 1.00 50.00 O -ATOM 2785 CB MET A 174 3.823 9.468 -8.421 1.00 50.00 C -ATOM 2786 CG MET A 174 4.950 9.544 -7.388 1.00 50.00 C -ATOM 2787 SD MET A 174 5.485 7.875 -6.908 1.00 50.00 S -ATOM 2788 CE MET A 174 6.720 7.563 -8.202 1.00 50.00 C -ATOM 2789 H MET A 174 2.195 10.776 -6.950 1.00 50.00 H -ATOM 2790 HA MET A 174 4.098 11.507 -8.973 1.00 50.00 H -ATOM 2791 1HB MET A 174 3.026 8.845 -8.019 1.00 50.00 H -ATOM 2792 2HB MET A 174 4.205 8.975 -9.316 1.00 50.00 H -ATOM 2793 1HG MET A 174 5.793 10.091 -7.809 1.00 50.00 H -ATOM 2794 2HG MET A 174 4.601 10.082 -6.507 1.00 50.00 H -ATOM 2795 1HE MET A 174 7.154 6.573 -8.060 1.00 50.00 H -ATOM 2796 2HE MET A 174 6.242 7.613 -9.181 1.00 50.00 H -ATOM 2797 3HE MET A 174 7.507 8.316 -8.143 1.00 50.00 H -ATOM 2798 N ALA A 175 1.181 10.484 -10.015 1.00 50.00 N -ATOM 2799 CA ALA A 175 0.295 10.448 -11.182 1.00 50.00 C -ATOM 2800 C ALA A 175 0.215 11.831 -11.828 1.00 50.00 C -ATOM 2801 O ALA A 175 0.305 11.953 -13.028 1.00 50.00 O -ATOM 2802 CB ALA A 175 -1.097 9.927 -10.804 1.00 50.00 C -ATOM 2803 H ALA A 175 0.799 10.285 -9.101 1.00 50.00 H -ATOM 2804 HA ALA A 175 0.730 9.771 -11.917 1.00 50.00 H -ATOM 2805 1HB ALA A 175 -1.732 9.911 -11.689 1.00 50.00 H -ATOM 2806 2HB ALA A 175 -1.011 8.918 -10.401 1.00 50.00 H -ATOM 2807 3HB ALA A 175 -1.538 10.580 -10.053 1.00 50.00 H -ATOM 2808 N PHE A 176 0.054 12.852 -10.984 1.00 50.00 N -ATOM 2809 CA PHE A 176 0.043 14.263 -11.341 1.00 50.00 C -ATOM 2810 C PHE A 176 1.325 14.661 -12.052 1.00 50.00 C -ATOM 2811 O PHE A 176 1.297 15.234 -13.155 1.00 50.00 O -ATOM 2812 CB PHE A 176 -0.137 15.127 -10.076 1.00 50.00 C -ATOM 2813 CG PHE A 176 -0.197 16.578 -10.362 1.00 50.00 C -ATOM 2814 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 50.00 C -ATOM 2815 CD2 PHE A 176 0.963 17.332 -10.422 1.00 50.00 C -ATOM 2816 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 50.00 C -ATOM 2817 CE2 PHE A 176 0.921 18.675 -10.737 1.00 50.00 C -ATOM 2818 CZ PHE A 176 -0.288 19.268 -10.997 1.00 50.00 C -ATOM 2819 H PHE A 176 -0.069 12.588 -10.017 1.00 50.00 H -ATOM 2820 HA PHE A 176 -0.797 14.443 -12.014 1.00 50.00 H -ATOM 2821 1HB PHE A 176 -1.055 14.838 -9.566 1.00 50.00 H -ATOM 2822 2HB PHE A 176 0.690 14.945 -9.390 1.00 50.00 H -ATOM 2823 HD1 PHE A 176 -2.318 16.594 -10.587 1.00 50.00 H -ATOM 2824 HD2 PHE A 176 1.919 16.851 -10.214 1.00 50.00 H -ATOM 2825 HE1 PHE A 176 -2.408 19.001 -11.144 1.00 50.00 H -ATOM 2826 HE2 PHE A 176 1.837 19.264 -10.781 1.00 50.00 H -ATOM 2827 HZ PHE A 176 -0.330 20.327 -11.250 1.00 50.00 H -ATOM 2828 N VAL A 177 2.456 14.347 -11.417 1.00 50.00 N -ATOM 2829 CA VAL A 177 3.759 14.644 -11.975 1.00 50.00 C -ATOM 2830 C VAL A 177 3.925 13.931 -13.317 1.00 50.00 C -ATOM 2831 O VAL A 177 4.273 14.555 -14.262 1.00 50.00 O -ATOM 2832 CB VAL A 177 4.911 14.272 -10.989 1.00 50.00 C -ATOM 2833 CG1 VAL A 177 6.291 14.307 -11.689 1.00 50.00 C -ATOM 2834 CG2 VAL A 177 4.873 15.193 -9.747 1.00 50.00 C -ATOM 2835 H VAL A 177 2.398 13.888 -10.519 1.00 50.00 H -ATOM 2836 HA VAL A 177 3.816 15.715 -12.170 1.00 50.00 H -ATOM 2837 HB VAL A 177 4.786 13.236 -10.674 1.00 50.00 H -ATOM 2838 1HG1 VAL A 177 7.069 14.043 -10.973 1.00 50.00 H -ATOM 2839 2HG1 VAL A 177 6.299 13.594 -12.513 1.00 50.00 H -ATOM 2840 3HG1 VAL A 177 6.479 15.309 -12.074 1.00 50.00 H -ATOM 2841 1HG2 VAL A 177 5.681 14.922 -9.068 1.00 50.00 H -ATOM 2842 2HG2 VAL A 177 4.994 16.230 -10.059 1.00 50.00 H -ATOM 2843 3HG2 VAL A 177 3.917 15.077 -9.237 1.00 50.00 H -ATOM 2844 N ASP A 178 3.633 12.626 -13.374 1.00 0.00 N -ATOM 2845 CA ASP A 178 3.731 11.864 -14.625 1.00 0.00 C -ATOM 2846 C ASP A 178 2.784 12.343 -15.736 1.00 0.00 C -ATOM 2847 O ASP A 178 3.082 12.152 -16.911 1.00 0.00 O -ATOM 2848 CB ASP A 178 3.514 10.398 -14.411 1.00 0.00 C -ATOM 2849 CG ASP A 178 4.596 9.765 -13.576 1.00 0.00 C -ATOM 2850 OD1 ASP A 178 5.593 10.461 -13.286 1.00 0.00 O -ATOM 2851 OD2 ASP A 178 4.477 8.550 -13.222 1.00 0.00 O -ATOM 2852 H ASP A 178 3.337 12.153 -12.532 1.00 0.00 H -ATOM 2853 HA ASP A 178 4.733 11.997 -15.034 1.00 0.00 H -ATOM 2854 1HB ASP A 178 2.554 10.240 -13.919 1.00 0.00 H -ATOM 2855 2HB ASP A 178 3.474 9.891 -15.376 1.00 0.00 H -ATOM 2856 N SER A 179 1.685 12.998 -15.350 1.00 0.00 N -ATOM 2857 CA SER A 179 0.691 13.529 -16.280 1.00 0.00 C -ATOM 2858 C SER A 179 1.080 14.864 -16.891 1.00 0.00 C -ATOM 2859 O SER A 179 0.421 15.345 -17.837 1.00 0.00 O -ATOM 2860 CB SER A 179 -0.619 13.751 -15.552 1.00 0.00 C -ATOM 2861 OG SER A 179 -1.196 12.529 -15.190 1.00 0.00 O -ATOM 2862 H SER A 179 1.548 13.125 -14.358 1.00 0.00 H -ATOM 2863 HA SER A 179 0.537 12.799 -17.076 1.00 0.00 H -ATOM 2864 1HB SER A 179 -0.443 14.354 -14.662 1.00 0.00 H -ATOM 2865 2HB SER A 179 -1.302 14.306 -16.194 1.00 0.00 H -ATOM 2866 HG SER A 179 -0.596 11.849 -15.505 1.00 0.00 H -ATOM 2867 N LEU A 180 2.102 15.514 -16.328 1.00 0.00 N -ATOM 2868 CA LEU A 180 2.530 16.784 -16.880 1.00 0.00 C -ATOM 2869 C LEU A 180 3.251 16.541 -18.220 1.00 0.00 C -ATOM 2870 O LEU A 180 3.106 17.345 -19.167 1.00 0.00 O -ATOM 2871 CB LEU A 180 3.360 17.564 -15.869 1.00 0.00 C -ATOM 2872 CG LEU A 180 2.564 18.112 -14.687 1.00 0.00 C -ATOM 2873 CD1 LEU A 180 3.519 18.812 -13.741 1.00 0.00 C -ATOM 2874 CD2 LEU A 180 1.477 19.071 -15.132 1.00 0.00 C -ATOM 2875 H LEU A 180 2.585 15.139 -15.524 1.00 0.00 H -ATOM 2876 HA LEU A 180 1.645 17.370 -17.125 1.00 0.00 H -ATOM 2877 1HB LEU A 180 4.141 16.911 -15.483 1.00 0.00 H -ATOM 2878 2HB LEU A 180 3.835 18.401 -16.381 1.00 0.00 H -ATOM 2879 HG LEU A 180 2.093 17.287 -14.152 1.00 0.00 H -ATOM 2880 1HD1 LEU A 180 2.964 19.209 -12.891 1.00 0.00 H -ATOM 2881 2HD1 LEU A 180 4.266 18.101 -13.386 1.00 0.00 H -ATOM 2882 3HD1 LEU A 180 4.015 19.629 -14.264 1.00 0.00 H -ATOM 2883 1HD2 LEU A 180 0.935 19.437 -14.260 1.00 0.00 H -ATOM 2884 2HD2 LEU A 180 1.927 19.913 -15.658 1.00 0.00 H -ATOM 2885 3HD2 LEU A 180 0.786 18.554 -15.798 1.00 0.00 H -ATOM 2886 N ASN A 181 3.971 15.410 -18.299 1.00 0.00 N -ATOM 2887 CA ASN A 181 4.630 14.949 -19.529 1.00 0.00 C -ATOM 2888 C ASN A 181 3.612 14.475 -20.596 1.00 0.00 C -ATOM 2889 O ASN A 181 2.747 13.619 -20.311 1.00 0.00 O -ATOM 2890 CB ASN A 181 5.617 13.800 -19.244 1.00 0.00 C -ATOM 2891 CG ASN A 181 6.565 14.084 -18.071 1.00 0.00 C -ATOM 2892 OD1 ASN A 181 7.642 14.666 -18.241 1.00 0.00 O -ATOM 2893 ND2 ASN A 181 6.176 13.634 -16.880 1.00 0.00 N -ATOM 2894 H ASN A 181 4.055 14.856 -17.459 1.00 0.00 H -ATOM 2895 HA ASN A 181 5.192 15.782 -19.954 1.00 0.00 H -ATOM 2896 1HB ASN A 181 5.060 12.888 -19.022 1.00 0.00 H -ATOM 2897 2HB ASN A 181 6.219 13.608 -20.133 1.00 0.00 H -ATOM 2898 1HD2 ASN A 181 6.750 13.787 -16.075 1.00 0.00 H -ATOM 2899 2HD2 ASN A 181 5.310 13.143 -16.790 1.00 0.00 H -ATOM 2900 N ALA A 182 3.738 15.038 -21.812 1.00 0.00 N -ATOM 2901 CA ALA A 182 2.865 14.773 -22.969 1.00 0.00 C -ATOM 2902 C ALA A 182 1.379 14.774 -22.610 1.00 0.00 C -ATOM 2903 O ALA A 182 0.937 15.551 -21.763 1.00 0.00 O -ATOM 2904 OXT ALA A 182 0.629 14.012 -23.156 1.00 0.00 O -ATOM 2905 CB ALA A 182 3.249 13.467 -23.654 1.00 0.00 C -ATOM 2906 H ALA A 182 4.502 15.692 -21.911 1.00 0.00 H -ATOM 2907 HA ALA A 182 2.989 15.589 -23.681 1.00 0.00 H -ATOM 2908 1HB ALA A 182 2.590 13.295 -24.505 1.00 0.00 H -ATOM 2909 2HB ALA A 182 4.281 13.528 -24.001 1.00 0.00 H -ATOM 2910 3HB ALA A 182 3.152 12.644 -22.948 1.00 0.00 H +220 +220 EXPERIMENTAL DETAILS +220 EXPERIMENT TYPE : THEORETICAL MODELLING +220 DATE OF DATA COLLECTION : +220 +220 : MODEL GENERATED BY ROSETTA +220 +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 0.00 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 0.00 C +ATOM 3 C GLU A 1 0.857 -13.260 -17.825 1.00 0.00 C +ATOM 4 O GLU A 1 -0.271 -13.118 -18.312 1.00 0.00 O +ATOM 5 CB GLU A 1 3.113 -14.381 -17.880 1.00 0.00 C +ATOM 6 CG GLU A 1 3.636 -14.484 -16.462 1.00 0.00 C +ATOM 7 CD GLU A 1 5.131 -14.384 -16.480 1.00 0.00 C +ATOM 8 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 0.00 O +ATOM 9 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 0.00 O +ATOM 10 1H GLU A 1 1.819 -16.055 -19.445 1.00 0.00 H +ATOM 11 2H GLU A 1 0.331 -15.385 -19.424 1.00 0.00 H +ATOM 12 3H GLU A 1 1.583 -14.571 -20.083 1.00 0.00 H +ATOM 13 HA GLU A 1 1.261 -15.258 -17.247 1.00 0.00 H +ATOM 14 1HB GLU A 1 3.640 -15.123 -18.479 1.00 0.00 H +ATOM 15 2HB GLU A 1 3.388 -13.397 -18.261 1.00 0.00 H +ATOM 16 1HG GLU A 1 3.203 -13.680 -15.867 1.00 0.00 H +ATOM 17 2HG GLU A 1 3.311 -15.431 -16.034 1.00 0.00 H +ATOM 18 N ARG A 2 1.498 -12.314 -17.122 1.00 0.00 N +ATOM 19 CA ARG A 2 0.857 -11.127 -16.537 1.00 0.00 C +ATOM 20 C ARG A 2 1.897 -10.383 -15.668 1.00 0.00 C +ATOM 21 O ARG A 2 2.339 -9.293 -16.033 1.00 0.00 O +ATOM 22 CB ARG A 2 -0.418 -11.529 -15.735 1.00 0.00 C +ATOM 23 CG ARG A 2 -0.876 -10.604 -14.599 1.00 0.00 C +ATOM 24 CD ARG A 2 -2.086 -9.742 -14.940 1.00 0.00 C +ATOM 25 NE ARG A 2 -2.035 -8.405 -14.316 1.00 0.00 N +ATOM 26 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 0.00 C +ATOM 27 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 0.00 N +ATOM 28 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 0.00 N +ATOM 29 H ARG A 2 2.491 -12.448 -16.999 1.00 0.00 H +ATOM 30 HA ARG A 2 0.561 -10.459 -17.347 1.00 0.00 H +ATOM 31 1HB ARG A 2 -1.265 -11.609 -16.415 1.00 0.00 H +ATOM 32 2HB ARG A 2 -0.269 -12.509 -15.281 1.00 0.00 H +ATOM 33 1HG ARG A 2 -1.147 -11.203 -13.729 1.00 0.00 H +ATOM 34 2HG ARG A 2 -0.065 -9.924 -14.334 1.00 0.00 H +ATOM 35 1HD ARG A 2 -2.140 -9.602 -16.019 1.00 0.00 H +ATOM 36 2HD ARG A 2 -2.993 -10.235 -14.592 1.00 0.00 H +ATOM 37 HE ARG A 2 -1.333 -8.244 -13.606 1.00 0.00 H +ATOM 38 1HH1 ARG A 2 -3.946 -8.452 -16.007 1.00 0.00 H +ATOM 39 2HH1 ARG A 2 -4.442 -6.791 -15.773 1.00 0.00 H +ATOM 40 1HH2 ARG A 2 -2.021 -6.088 -13.335 1.00 0.00 H +ATOM 41 2HH2 ARG A 2 -3.361 -5.471 -14.275 1.00 0.00 H +ATOM 42 N ALA A 3 2.284 -10.993 -14.537 1.00 50.00 N +ATOM 43 CA ALA A 3 3.241 -10.420 -13.573 1.00 50.00 C +ATOM 44 C ALA A 3 4.710 -10.385 -14.086 1.00 50.00 C +ATOM 45 O ALA A 3 5.345 -11.444 -14.219 1.00 50.00 O +ATOM 46 CB ALA A 3 3.187 -11.202 -12.236 1.00 50.00 C +ATOM 47 H ALA A 3 1.883 -11.901 -14.352 1.00 50.00 H +ATOM 48 HA ALA A 3 2.957 -9.384 -13.389 1.00 50.00 H +ATOM 49 1HB ALA A 3 3.898 -10.769 -11.532 1.00 50.00 H +ATOM 50 2HB ALA A 3 2.182 -11.141 -11.819 1.00 50.00 H +ATOM 51 3HB ALA A 3 3.443 -12.245 -12.414 1.00 50.00 H +ATOM 52 N GLY A 4 5.236 -9.175 -14.339 1.00 50.00 N +ATOM 53 CA GLY A 4 6.659 -8.957 -14.505 1.00 50.00 C +ATOM 54 C GLY A 4 7.452 -9.302 -13.238 1.00 50.00 C +ATOM 55 O GLY A 4 6.890 -9.605 -12.176 1.00 50.00 O +ATOM 56 H GLY A 4 4.606 -8.389 -14.415 1.00 50.00 H +ATOM 57 1HA GLY A 4 7.026 -9.564 -15.333 1.00 50.00 H +ATOM 58 2HA GLY A 4 6.839 -7.915 -14.766 1.00 50.00 H +ATOM 59 N PRO A 5 8.800 -9.212 -13.289 1.00 50.00 N +ATOM 60 CA PRO A 5 9.636 -9.638 -12.164 1.00 50.00 C +ATOM 61 C PRO A 5 9.435 -8.850 -10.895 1.00 50.00 C +ATOM 62 O PRO A 5 9.602 -9.408 -9.823 1.00 50.00 O +ATOM 63 CB PRO A 5 11.081 -9.444 -12.701 1.00 50.00 C +ATOM 64 CG PRO A 5 10.927 -8.487 -13.836 1.00 50.00 C +ATOM 65 CD PRO A 5 9.571 -8.690 -14.428 1.00 50.00 C +ATOM 66 HA PRO A 5 9.438 -10.698 -11.947 1.00 50.00 H +ATOM 67 1HB PRO A 5 11.730 -9.056 -11.902 1.00 50.00 H +ATOM 68 2HB PRO A 5 11.499 -10.412 -13.014 1.00 50.00 H +ATOM 69 1HG PRO A 5 11.048 -7.453 -13.480 1.00 50.00 H +ATOM 70 2HG PRO A 5 11.712 -8.659 -14.587 1.00 50.00 H +ATOM 71 1HD PRO A 5 9.178 -7.726 -14.783 1.00 50.00 H +ATOM 72 2HD PRO A 5 9.636 -9.412 -15.256 1.00 50.00 H +ATOM 73 N VAL A 6 9.148 -7.550 -10.990 1.00 50.00 N +ATOM 74 CA VAL A 6 9.001 -6.772 -9.772 1.00 50.00 C +ATOM 75 C VAL A 6 7.694 -7.171 -9.102 1.00 50.00 C +ATOM 76 O VAL A 6 7.657 -7.437 -7.900 1.00 50.00 O +ATOM 77 CB VAL A 6 9.023 -5.261 -10.034 1.00 50.00 C +ATOM 78 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 50.00 C +ATOM 79 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 50.00 C +ATOM 80 H VAL A 6 9.030 -7.093 -11.883 1.00 50.00 H +ATOM 81 HA VAL A 6 9.836 -7.005 -9.110 1.00 50.00 H +ATOM 82 HB VAL A 6 8.234 -5.013 -10.744 1.00 50.00 H +ATOM 83 1HG1 VAL A 6 8.735 -3.417 -8.966 1.00 50.00 H +ATOM 84 2HG1 VAL A 6 7.726 -4.766 -8.393 1.00 50.00 H +ATOM 85 3HG1 VAL A 6 9.461 -4.722 -7.999 1.00 50.00 H +ATOM 86 1HG2 VAL A 6 10.379 -3.772 -10.796 1.00 50.00 H +ATOM 87 2HG2 VAL A 6 11.167 -5.097 -9.907 1.00 50.00 H +ATOM 88 3HG2 VAL A 6 10.547 -5.374 -11.552 1.00 50.00 H +ATOM 89 N THR A 7 6.617 -7.241 -9.895 1.00 50.00 N +ATOM 90 CA THR A 7 5.335 -7.735 -9.369 1.00 50.00 C +ATOM 91 C THR A 7 5.483 -9.071 -8.633 1.00 50.00 C +ATOM 92 O THR A 7 4.997 -9.248 -7.527 1.00 50.00 O +ATOM 93 CB THR A 7 4.294 -7.865 -10.467 1.00 50.00 C +ATOM 94 OG1 THR A 7 4.103 -6.566 -11.080 1.00 50.00 O +ATOM 95 CG2 THR A 7 3.000 -8.362 -9.825 1.00 50.00 C +ATOM 96 H THR A 7 6.675 -6.955 -10.862 1.00 50.00 H +ATOM 97 HA THR A 7 4.965 -7.021 -8.633 1.00 50.00 H +ATOM 98 HB THR A 7 4.644 -8.572 -11.219 1.00 50.00 H +ATOM 99 HG1 THR A 7 4.676 -5.924 -10.653 1.00 50.00 H +ATOM 100 1HG2 THR A 7 2.231 -8.466 -10.590 1.00 50.00 H +ATOM 101 2HG2 THR A 7 3.176 -9.328 -9.353 1.00 50.00 H +ATOM 102 3HG2 THR A 7 2.669 -7.646 -9.073 1.00 50.00 H +ATOM 103 N TRP A 8 6.249 -9.974 -9.253 1.00 50.00 N +ATOM 104 CA TRP A 8 6.456 -11.332 -8.776 1.00 50.00 C +ATOM 105 C TRP A 8 7.317 -11.394 -7.521 1.00 50.00 C +ATOM 106 O TRP A 8 6.993 -12.088 -6.569 1.00 50.00 O +ATOM 107 CB TRP A 8 7.106 -12.092 -9.908 1.00 50.00 C +ATOM 108 CG TRP A 8 7.535 -13.448 -9.667 1.00 50.00 C +ATOM 109 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 50.00 C +ATOM 110 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 50.00 C +ATOM 111 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 50.00 N +ATOM 112 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 50.00 C +ATOM 113 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 50.00 C +ATOM 114 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 50.00 C +ATOM 115 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 50.00 C +ATOM 116 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 50.00 C +ATOM 117 H TRP A 8 6.704 -9.677 -10.104 1.00 50.00 H +ATOM 118 HA TRP A 8 5.486 -11.765 -8.533 1.00 50.00 H +ATOM 119 1HB TRP A 8 6.418 -12.146 -10.752 1.00 50.00 H +ATOM 120 2HB TRP A 8 7.994 -11.557 -10.243 1.00 50.00 H +ATOM 121 HD1 TRP A 8 9.630 -13.360 -10.246 1.00 50.00 H +ATOM 122 HE1 TRP A 8 9.629 -15.869 -9.757 1.00 50.00 H +ATOM 123 HE3 TRP A 8 4.729 -13.845 -8.890 1.00 50.00 H +ATOM 124 HZ2 TRP A 8 7.785 -17.833 -8.857 1.00 50.00 H +ATOM 125 HZ3 TRP A 8 3.926 -16.052 -8.144 1.00 50.00 H +ATOM 126 HH2 TRP A 8 5.436 -18.051 -8.179 1.00 50.00 H +ATOM 127 N VAL A 9 8.449 -10.702 -7.545 1.00 50.00 N +ATOM 128 CA VAL A 9 9.378 -10.807 -6.459 1.00 50.00 C +ATOM 129 C VAL A 9 8.765 -10.242 -5.171 1.00 50.00 C +ATOM 130 O VAL A 9 8.952 -10.792 -4.130 1.00 50.00 O +ATOM 131 CB VAL A 9 10.766 -10.222 -6.796 1.00 50.00 C +ATOM 132 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 50.00 C +ATOM 133 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 50.00 C +ATOM 134 H VAL A 9 8.668 -10.097 -8.323 1.00 50.00 H +ATOM 135 HA VAL A 9 9.517 -11.863 -6.223 1.00 50.00 H +ATOM 136 HB VAL A 9 10.635 -9.250 -7.272 1.00 50.00 H +ATOM 137 1HG1 VAL A 9 12.570 -9.616 -5.798 1.00 50.00 H +ATOM 138 2HG1 VAL A 9 11.082 -9.344 -4.861 1.00 50.00 H +ATOM 139 3HG1 VAL A 9 11.733 -10.991 -5.039 1.00 50.00 H +ATOM 140 1HG2 VAL A 9 12.466 -10.743 -7.971 1.00 50.00 H +ATOM 141 2HG2 VAL A 9 11.607 -12.127 -7.254 1.00 50.00 H +ATOM 142 3HG2 VAL A 9 10.907 -11.269 -8.647 1.00 50.00 H +ATOM 143 N MET A 10 7.990 -9.164 -5.274 1.00 0.00 N +ATOM 144 CA MET A 10 7.335 -8.630 -4.098 1.00 0.00 C +ATOM 145 C MET A 10 6.338 -9.659 -3.482 1.00 0.00 C +ATOM 146 O MET A 10 6.192 -9.721 -2.245 1.00 0.00 O +ATOM 147 CB MET A 10 6.602 -7.366 -4.503 1.00 0.00 C +ATOM 148 CG MET A 10 5.616 -6.838 -3.464 1.00 0.00 C +ATOM 149 SD MET A 10 6.453 -6.272 -1.969 1.00 0.00 S +ATOM 150 CE MET A 10 7.261 -4.794 -2.542 1.00 0.00 C +ATOM 151 H MET A 10 7.850 -8.709 -6.165 1.00 0.00 H +ATOM 152 HA MET A 10 8.097 -8.394 -3.355 1.00 0.00 H +ATOM 153 1HB MET A 10 7.324 -6.576 -4.705 1.00 0.00 H +ATOM 154 2HB MET A 10 6.047 -7.546 -5.425 1.00 0.00 H +ATOM 155 1HG MET A 10 5.051 -6.008 -3.887 1.00 0.00 H +ATOM 156 2HG MET A 10 4.913 -7.626 -3.196 1.00 0.00 H +ATOM 157 1HE MET A 10 7.816 -4.341 -1.720 1.00 0.00 H +ATOM 158 2HE MET A 10 7.949 -5.045 -3.350 1.00 0.00 H +ATOM 159 3HE MET A 10 6.514 -4.089 -2.908 1.00 0.00 H +ATOM 160 N MET A 11 5.596 -10.381 -4.352 1.00 50.00 N +ATOM 161 CA MET A 11 4.616 -11.424 -3.940 1.00 50.00 C +ATOM 162 C MET A 11 5.335 -12.557 -3.209 1.00 50.00 C +ATOM 163 O MET A 11 4.985 -12.912 -2.093 1.00 50.00 O +ATOM 164 CB MET A 11 3.847 -11.970 -5.153 1.00 50.00 C +ATOM 165 CG MET A 11 2.837 -10.963 -5.682 1.00 50.00 C +ATOM 166 SD MET A 11 1.989 -11.336 -7.250 1.00 50.00 S +ATOM 167 CE MET A 11 0.573 -12.253 -6.625 1.00 50.00 C +ATOM 168 H MET A 11 5.726 -10.189 -5.335 1.00 50.00 H +ATOM 169 HA MET A 11 3.899 -10.973 -3.254 1.00 50.00 H +ATOM 170 1HB MET A 11 4.550 -12.223 -5.945 1.00 50.00 H +ATOM 171 2HB MET A 11 3.327 -12.887 -4.872 1.00 50.00 H +ATOM 172 1HG MET A 11 2.044 -10.824 -4.948 1.00 50.00 H +ATOM 173 2HG MET A 11 3.328 -10.003 -5.839 1.00 50.00 H +ATOM 174 1HE MET A 11 -0.058 -12.561 -7.459 1.00 50.00 H +ATOM 175 2HE MET A 11 0.920 -13.136 -6.086 1.00 50.00 H +ATOM 176 3HE MET A 11 -0.002 -11.619 -5.950 1.00 50.00 H +ATOM 177 N ILE A 12 6.378 -13.078 -3.847 1.00 50.00 N +ATOM 178 CA ILE A 12 7.225 -14.082 -3.251 1.00 50.00 C +ATOM 179 C ILE A 12 7.733 -13.619 -1.872 1.00 50.00 C +ATOM 180 O ILE A 12 7.614 -14.319 -0.867 1.00 50.00 O +ATOM 181 CB ILE A 12 8.419 -14.368 -4.183 1.00 50.00 C +ATOM 182 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 50.00 C +ATOM 183 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 50.00 C +ATOM 184 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 50.00 C +ATOM 185 H ILE A 12 6.580 -12.756 -4.783 1.00 50.00 H +ATOM 186 HA ILE A 12 6.644 -14.995 -3.126 1.00 50.00 H +ATOM 187 HB ILE A 12 8.798 -13.430 -4.587 1.00 50.00 H +ATOM 188 1HG1 ILE A 12 7.693 -16.204 -4.990 1.00 50.00 H +ATOM 189 2HG1 ILE A 12 7.055 -14.768 -5.775 1.00 50.00 H +ATOM 190 1HG2 ILE A 12 10.377 -15.253 -4.123 1.00 50.00 H +ATOM 191 2HG2 ILE A 12 9.894 -14.430 -2.621 1.00 50.00 H +ATOM 192 3HG2 ILE A 12 9.192 -16.012 -3.033 1.00 50.00 H +ATOM 193 1HD1 ILE A 12 8.625 -15.951 -7.253 1.00 50.00 H +ATOM 194 2HD1 ILE A 12 9.263 -14.346 -6.824 1.00 50.00 H +ATOM 195 3HD1 ILE A 12 9.908 -15.802 -6.030 1.00 50.00 H +ATOM 196 N ALA A 13 8.297 -12.413 -1.841 1.00 50.00 N +ATOM 197 CA ALA A 13 8.863 -11.841 -0.640 1.00 50.00 C +ATOM 198 C ALA A 13 7.841 -11.724 0.488 1.00 50.00 C +ATOM 199 O ALA A 13 8.146 -12.070 1.606 1.00 50.00 O +ATOM 200 CB ALA A 13 9.474 -10.506 -0.925 1.00 50.00 C +ATOM 201 H ALA A 13 8.326 -11.882 -2.700 1.00 50.00 H +ATOM 202 HA ALA A 13 9.643 -12.512 -0.280 1.00 50.00 H +ATOM 203 1HB ALA A 13 9.894 -10.094 -0.007 1.00 50.00 H +ATOM 204 2HB ALA A 13 10.265 -10.619 -1.667 1.00 50.00 H +ATOM 205 3HB ALA A 13 8.710 -9.831 -1.309 1.00 50.00 H +ATOM 206 N CYS A 14 6.625 -11.256 0.175 1.00 0.00 N +ATOM 207 CA CYS A 14 5.561 -11.152 1.180 1.00 0.00 C +ATOM 208 C CYS A 14 5.109 -12.538 1.731 1.00 0.00 C +ATOM 209 O CYS A 14 4.809 -12.694 2.926 1.00 0.00 O +ATOM 210 CB CYS A 14 4.344 -10.398 0.593 1.00 0.00 C +ATOM 211 SG CYS A 14 4.623 -8.631 0.452 1.00 0.00 S +ATOM 212 H CYS A 14 6.435 -10.968 -0.774 1.00 0.00 H +ATOM 213 HA CYS A 14 5.944 -10.591 2.032 1.00 0.00 H +ATOM 214 1HB CYS A 14 4.112 -10.795 -0.395 1.00 0.00 H +ATOM 215 2HB CYS A 14 3.473 -10.565 1.226 1.00 0.00 H +ATOM 216 HG CYS A 14 3.430 -8.343 -0.059 1.00 0.00 H +ATOM 217 N VAL A 15 5.080 -13.535 0.843 1.00 50.00 N +ATOM 218 CA VAL A 15 4.683 -14.857 1.236 1.00 50.00 C +ATOM 219 C VAL A 15 5.738 -15.487 2.147 1.00 50.00 C +ATOM 220 O VAL A 15 5.414 -16.031 3.216 1.00 50.00 O +ATOM 221 CB VAL A 15 4.377 -15.723 0.033 1.00 50.00 C +ATOM 222 CG1 VAL A 15 4.137 -17.138 0.509 1.00 50.00 C +ATOM 223 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 50.00 C +ATOM 224 H VAL A 15 5.339 -13.364 -0.118 1.00 50.00 H +ATOM 225 HA VAL A 15 3.778 -14.781 1.840 1.00 50.00 H +ATOM 226 HB VAL A 15 5.237 -15.716 -0.636 1.00 50.00 H +ATOM 227 1HG1 VAL A 15 3.915 -17.777 -0.346 1.00 50.00 H +ATOM 228 2HG1 VAL A 15 5.028 -17.508 1.016 1.00 50.00 H +ATOM 229 3HG1 VAL A 15 3.294 -17.151 1.199 1.00 50.00 H +ATOM 230 1HG2 VAL A 15 2.913 -15.780 -1.570 1.00 50.00 H +ATOM 231 2HG2 VAL A 15 2.280 -15.160 -0.027 1.00 50.00 H +ATOM 232 3HG2 VAL A 15 3.338 -14.139 -1.030 1.00 50.00 H +ATOM 233 N VAL A 16 7.001 -15.379 1.737 1.00 50.00 N +ATOM 234 CA VAL A 16 8.111 -15.897 2.554 1.00 50.00 C +ATOM 235 C VAL A 16 8.111 -15.248 3.958 1.00 50.00 C +ATOM 236 O VAL A 16 8.273 -15.931 4.954 1.00 50.00 O +ATOM 237 CB VAL A 16 9.469 -15.710 1.841 1.00 50.00 C +ATOM 238 CG1 VAL A 16 10.617 -15.998 2.774 1.00 50.00 C +ATOM 239 CG2 VAL A 16 9.575 -16.654 0.663 1.00 50.00 C +ATOM 240 H VAL A 16 7.206 -14.936 0.853 1.00 50.00 H +ATOM 241 HA VAL A 16 7.954 -16.964 2.714 1.00 50.00 H +ATOM 242 HB VAL A 16 9.545 -14.681 1.488 1.00 50.00 H +ATOM 243 1HG1 VAL A 16 11.560 -15.858 2.245 1.00 50.00 H +ATOM 244 2HG1 VAL A 16 10.574 -15.318 3.624 1.00 50.00 H +ATOM 245 3HG1 VAL A 16 10.549 -17.027 3.127 1.00 50.00 H +ATOM 246 1HG2 VAL A 16 10.536 -16.512 0.169 1.00 50.00 H +ATOM 247 2HG2 VAL A 16 9.495 -17.683 1.013 1.00 50.00 H +ATOM 248 3HG2 VAL A 16 8.770 -16.447 -0.043 1.00 50.00 H +ATOM 249 N VAL A 17 7.948 -13.922 4.011 1.00 0.00 N +ATOM 250 CA VAL A 17 7.915 -13.240 5.273 1.00 0.00 C +ATOM 251 C VAL A 17 6.709 -13.707 6.134 1.00 0.00 C +ATOM 252 O VAL A 17 6.846 -13.932 7.317 1.00 0.00 O +ATOM 253 CB VAL A 17 7.929 -11.725 5.129 1.00 0.00 C +ATOM 254 CG1 VAL A 17 7.750 -11.058 6.519 1.00 0.00 C +ATOM 255 CG2 VAL A 17 9.242 -11.270 4.502 1.00 0.00 C +ATOM 256 H VAL A 17 7.846 -13.387 3.160 1.00 0.00 H +ATOM 257 HA VAL A 17 8.801 -13.522 5.842 1.00 0.00 H +ATOM 258 HB VAL A 17 7.099 -11.422 4.491 1.00 0.00 H +ATOM 259 1HG1 VAL A 17 7.761 -9.974 6.406 1.00 0.00 H +ATOM 260 2HG1 VAL A 17 6.799 -11.368 6.951 1.00 0.00 H +ATOM 261 3HG1 VAL A 17 8.565 -11.362 7.176 1.00 0.00 H +ATOM 262 1HG2 VAL A 17 9.241 -10.185 4.403 1.00 0.00 H +ATOM 263 2HG2 VAL A 17 10.074 -11.576 5.137 1.00 0.00 H +ATOM 264 3HG2 VAL A 17 9.351 -11.724 3.517 1.00 0.00 H +ATOM 265 N PHE A 18 5.552 -13.895 5.494 1.00 50.00 N +ATOM 266 CA PHE A 18 4.355 -14.343 6.184 1.00 50.00 C +ATOM 267 C PHE A 18 4.559 -15.717 6.823 1.00 50.00 C +ATOM 268 O PHE A 18 4.107 -15.983 7.939 1.00 50.00 O +ATOM 269 CB PHE A 18 3.183 -14.357 5.189 1.00 50.00 C +ATOM 270 CG PHE A 18 1.836 -14.539 5.846 1.00 50.00 C +ATOM 271 CD1 PHE A 18 1.292 -13.526 6.641 1.00 50.00 C +ATOM 272 CD2 PHE A 18 1.136 -15.680 5.672 1.00 50.00 C +ATOM 273 CE1 PHE A 18 0.050 -13.682 7.240 1.00 50.00 C +ATOM 274 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 50.00 C +ATOM 275 CZ PHE A 18 -0.650 -14.855 7.073 1.00 50.00 C +ATOM 276 H PHE A 18 5.510 -13.720 4.500 1.00 50.00 H +ATOM 277 HA PHE A 18 4.137 -13.642 6.991 1.00 50.00 H +ATOM 278 1HB PHE A 18 3.168 -13.421 4.631 1.00 50.00 H +ATOM 279 2HB PHE A 18 3.325 -15.163 4.471 1.00 50.00 H +ATOM 280 HD1 PHE A 18 1.855 -12.604 6.788 1.00 50.00 H +ATOM 281 HD2 PHE A 18 1.556 -16.469 5.047 1.00 50.00 H +ATOM 282 HE1 PHE A 18 -0.369 -12.876 7.841 1.00 50.00 H +ATOM 283 HE2 PHE A 18 -0.664 -16.784 6.119 1.00 50.00 H +ATOM 284 HZ PHE A 18 -1.613 -14.991 7.564 1.00 50.00 H +ATOM 285 N ILE A 19 5.217 -16.619 6.084 1.00 50.00 N +ATOM 286 CA ILE A 19 5.550 -17.930 6.568 1.00 50.00 C +ATOM 287 C ILE A 19 6.470 -17.849 7.798 1.00 50.00 C +ATOM 288 O ILE A 19 6.231 -18.509 8.837 1.00 50.00 O +ATOM 289 CB ILE A 19 6.223 -18.757 5.471 1.00 50.00 C +ATOM 290 CG1 ILE A 19 5.187 -19.135 4.413 1.00 50.00 C +ATOM 291 CG2 ILE A 19 6.813 -20.032 6.054 1.00 50.00 C +ATOM 292 CD1 ILE A 19 5.765 -19.916 3.247 1.00 50.00 C +ATOM 293 H ILE A 19 5.487 -16.357 5.147 1.00 50.00 H +ATOM 294 HA ILE A 19 4.630 -18.433 6.865 1.00 50.00 H +ATOM 295 HB ILE A 19 7.022 -18.174 5.014 1.00 50.00 H +ATOM 296 1HG1 ILE A 19 4.401 -19.734 4.871 1.00 50.00 H +ATOM 297 2HG1 ILE A 19 4.721 -18.231 4.021 1.00 50.00 H +ATOM 298 1HG2 ILE A 19 7.287 -20.609 5.261 1.00 50.00 H +ATOM 299 2HG2 ILE A 19 7.554 -19.777 6.810 1.00 50.00 H +ATOM 300 3HG2 ILE A 19 6.020 -20.625 6.509 1.00 50.00 H +ATOM 301 1HD1 ILE A 19 4.972 -20.149 2.536 1.00 50.00 H +ATOM 302 2HD1 ILE A 19 6.531 -19.318 2.753 1.00 50.00 H +ATOM 303 3HD1 ILE A 19 6.207 -20.842 3.613 1.00 50.00 H +ATOM 304 N ALA A 20 7.513 -17.028 7.684 1.00 50.00 N +ATOM 305 CA ALA A 20 8.432 -16.810 8.774 1.00 50.00 C +ATOM 306 C ALA A 20 7.650 -16.318 10.018 1.00 50.00 C +ATOM 307 O ALA A 20 7.963 -16.711 11.162 1.00 50.00 O +ATOM 308 CB ALA A 20 9.467 -15.783 8.378 1.00 50.00 C +ATOM 309 H ALA A 20 7.663 -16.545 6.810 1.00 50.00 H +ATOM 310 HA ALA A 20 8.931 -17.755 8.990 1.00 50.00 H +ATOM 311 1HB ALA A 20 10.157 -15.624 9.206 1.00 50.00 H +ATOM 312 2HB ALA A 20 10.020 -16.140 7.509 1.00 50.00 H +ATOM 313 3HB ALA A 20 8.972 -14.844 8.133 1.00 50.00 H +ATOM 314 N MET A 21 6.677 -15.418 9.792 1.00 0.00 N +ATOM 315 CA MET A 21 5.888 -14.871 10.850 1.00 0.00 C +ATOM 316 C MET A 21 5.051 -15.976 11.499 1.00 0.00 C +ATOM 317 O MET A 21 4.850 -15.973 12.718 1.00 0.00 O +ATOM 318 CB MET A 21 5.012 -13.720 10.331 1.00 0.00 C +ATOM 319 CG MET A 21 5.780 -12.506 9.877 1.00 0.00 C +ATOM 320 SD MET A 21 4.777 -11.171 9.188 1.00 0.00 S +ATOM 321 CE MET A 21 4.078 -10.554 10.729 1.00 0.00 C +ATOM 322 H MET A 21 6.501 -15.121 8.843 1.00 0.00 H +ATOM 323 HA MET A 21 6.559 -14.480 11.615 1.00 0.00 H +ATOM 324 1HB MET A 21 4.414 -14.069 9.491 1.00 0.00 H +ATOM 325 2HB MET A 21 4.323 -13.405 11.115 1.00 0.00 H +ATOM 326 1HG MET A 21 6.332 -12.089 10.719 1.00 0.00 H +ATOM 327 2HG MET A 21 6.497 -12.795 9.109 1.00 0.00 H +ATOM 328 1HE MET A 21 3.418 -9.713 10.518 1.00 0.00 H +ATOM 329 2HE MET A 21 3.511 -11.349 11.215 1.00 0.00 H +ATOM 330 3HE MET A 21 4.883 -10.227 11.389 1.00 0.00 H +ATOM 331 N GLN A 22 4.566 -16.947 10.712 1.00 50.00 N +ATOM 332 CA GLN A 22 3.745 -18.051 11.317 1.00 50.00 C +ATOM 333 C GLN A 22 4.589 -19.021 12.166 1.00 50.00 C +ATOM 334 O GLN A 22 4.105 -19.588 13.112 1.00 50.00 O +ATOM 335 CB GLN A 22 2.940 -18.877 10.288 1.00 50.00 C +ATOM 336 CG GLN A 22 2.070 -18.090 9.297 1.00 50.00 C +ATOM 337 CD GLN A 22 1.348 -16.883 9.917 1.00 50.00 C +ATOM 338 OE1 GLN A 22 0.496 -17.060 10.781 1.00 50.00 O +ATOM 339 NE2 GLN A 22 1.706 -15.659 9.486 1.00 50.00 N +ATOM 340 H GLN A 22 4.741 -16.953 9.717 1.00 50.00 H +ATOM 341 HA GLN A 22 3.022 -17.609 12.002 1.00 50.00 H +ATOM 342 1HB GLN A 22 3.624 -19.480 9.691 1.00 50.00 H +ATOM 343 2HB GLN A 22 2.273 -19.561 10.812 1.00 50.00 H +ATOM 344 1HG GLN A 22 2.703 -17.714 8.493 1.00 50.00 H +ATOM 345 2HG GLN A 22 1.307 -18.755 8.892 1.00 50.00 H +ATOM 346 1HE2 GLN A 22 1.261 -14.845 9.863 1.00 50.00 H +ATOM 347 2HE2 GLN A 22 2.416 -15.562 8.789 1.00 50.00 H +ATOM 348 N ILE A 23 5.844 -19.236 11.781 1.00 50.00 N +ATOM 349 CA ILE A 23 6.734 -20.152 12.466 1.00 50.00 C +ATOM 350 C ILE A 23 7.280 -19.494 13.726 1.00 50.00 C +ATOM 351 O ILE A 23 7.221 -20.035 14.808 1.00 50.00 O +ATOM 352 CB ILE A 23 7.936 -20.510 11.549 1.00 50.00 C +ATOM 353 CG1 ILE A 23 7.459 -21.282 10.296 1.00 50.00 C +ATOM 354 CG2 ILE A 23 8.989 -21.314 12.303 1.00 50.00 C +ATOM 355 CD1 ILE A 23 8.508 -21.326 9.193 1.00 50.00 C +ATOM 356 H ILE A 23 6.182 -18.733 10.973 1.00 50.00 H +ATOM 357 HA ILE A 23 6.182 -21.063 12.696 1.00 50.00 H +ATOM 358 HB ILE A 23 8.398 -19.594 11.181 1.00 50.00 H +ATOM 359 1HG1 ILE A 23 7.200 -22.303 10.575 1.00 50.00 H +ATOM 360 2HG1 ILE A 23 6.557 -20.813 9.901 1.00 50.00 H +ATOM 361 1HG2 ILE A 23 9.816 -21.549 11.633 1.00 50.00 H +ATOM 362 2HG2 ILE A 23 9.359 -20.730 13.145 1.00 50.00 H +ATOM 363 3HG2 ILE A 23 8.546 -22.240 12.671 1.00 50.00 H +ATOM 364 1HD1 ILE A 23 8.116 -21.880 8.340 1.00 50.00 H +ATOM 365 2HD1 ILE A 23 8.754 -20.310 8.884 1.00 50.00 H +ATOM 366 3HD1 ILE A 23 9.405 -21.820 9.564 1.00 50.00 H +ATOM 367 N LEU A 24 7.841 -18.297 13.553 1.00 50.00 N +ATOM 368 CA LEU A 24 8.564 -17.574 14.594 1.00 50.00 C +ATOM 369 C LEU A 24 7.662 -16.656 15.472 1.00 50.00 C +ATOM 370 O LEU A 24 8.074 -16.223 16.572 1.00 50.00 O +ATOM 371 CB LEU A 24 9.608 -16.721 13.907 1.00 50.00 C +ATOM 372 CG LEU A 24 10.724 -17.425 13.129 1.00 50.00 C +ATOM 373 CD1 LEU A 24 11.690 -16.393 12.533 1.00 50.00 C +ATOM 374 CD2 LEU A 24 11.454 -18.422 14.041 1.00 50.00 C +ATOM 375 H LEU A 24 7.749 -17.880 12.638 1.00 50.00 H +ATOM 376 HA LEU A 24 9.044 -18.300 15.249 1.00 50.00 H +ATOM 377 1HB LEU A 24 9.108 -16.064 13.197 1.00 50.00 H +ATOM 378 2HB LEU A 24 10.101 -16.103 14.657 1.00 50.00 H +ATOM 379 HG LEU A 24 10.295 -17.962 12.283 1.00 50.00 H +ATOM 380 1HD1 LEU A 24 12.478 -16.907 11.983 1.00 50.00 H +ATOM 381 2HD1 LEU A 24 11.146 -15.734 11.856 1.00 50.00 H +ATOM 382 3HD1 LEU A 24 12.133 -15.804 13.335 1.00 50.00 H +ATOM 383 1HD2 LEU A 24 12.245 -18.918 13.478 1.00 50.00 H +ATOM 384 2HD2 LEU A 24 11.889 -17.890 14.887 1.00 50.00 H +ATOM 385 3HD2 LEU A 24 10.747 -19.167 14.406 1.00 50.00 H +ATOM 386 N GLY A 25 6.453 -16.346 14.964 1.00 0.00 N +ATOM 387 CA GLY A 25 5.563 -15.389 15.584 1.00 0.00 C +ATOM 388 C GLY A 25 5.842 -14.021 14.985 1.00 0.00 C +ATOM 389 O GLY A 25 6.942 -13.709 14.529 1.00 0.00 O +ATOM 390 H GLY A 25 6.164 -16.807 14.113 1.00 0.00 H +ATOM 391 1HA GLY A 25 4.529 -15.690 15.414 1.00 0.00 H +ATOM 392 2HA GLY A 25 5.724 -15.388 16.661 1.00 0.00 H +ATOM 393 N ASP A 26 4.802 -13.199 14.925 1.00 50.00 N +ATOM 394 CA ASP A 26 4.900 -11.838 14.384 1.00 50.00 C +ATOM 395 C ASP A 26 5.988 -10.956 15.012 1.00 50.00 C +ATOM 396 O ASP A 26 6.706 -10.244 14.315 1.00 50.00 O +ATOM 397 CB ASP A 26 3.570 -11.128 14.569 1.00 50.00 C +ATOM 398 CG ASP A 26 2.444 -11.727 13.705 1.00 50.00 C +ATOM 399 OD1 ASP A 26 2.686 -12.697 12.906 1.00 50.00 O +ATOM 400 OD2 ASP A 26 1.299 -11.239 13.885 1.00 50.00 O +ATOM 401 H ASP A 26 3.911 -13.530 15.267 1.00 50.00 H +ATOM 402 HA ASP A 26 5.127 -11.904 13.319 1.00 50.00 H +ATOM 403 1HB ASP A 26 3.271 -11.181 15.616 1.00 50.00 H +ATOM 404 2HB ASP A 26 3.682 -10.074 14.314 1.00 50.00 H +ATOM 405 N GLN A 27 6.111 -11.015 16.340 1.00 0.00 N +ATOM 406 CA GLN A 27 6.940 -10.036 17.039 1.00 0.00 C +ATOM 407 C GLN A 27 8.460 -10.315 16.844 1.00 0.00 C +ATOM 408 O GLN A 27 9.263 -9.389 16.819 1.00 0.00 O +ATOM 409 CB GLN A 27 6.501 -9.771 18.511 1.00 0.00 C +ATOM 410 CG GLN A 27 5.764 -10.839 19.335 1.00 0.00 C +ATOM 411 CD GLN A 27 4.541 -11.494 18.684 1.00 0.00 C +ATOM 412 OE1 GLN A 27 4.552 -12.679 18.439 1.00 0.00 O +ATOM 413 NE2 GLN A 27 3.492 -10.722 18.421 1.00 0.00 N +ATOM 414 H GLN A 27 5.638 -11.730 16.874 1.00 0.00 H +ATOM 415 HA GLN A 27 6.871 -9.085 16.511 1.00 0.00 H +ATOM 416 1HB GLN A 27 7.377 -9.531 19.114 1.00 0.00 H +ATOM 417 2HB GLN A 27 5.835 -8.909 18.542 1.00 0.00 H +ATOM 418 1HG GLN A 27 6.456 -11.651 19.560 1.00 0.00 H +ATOM 419 2HG GLN A 27 5.406 -10.387 20.260 1.00 0.00 H +ATOM 420 1HE2 GLN A 27 2.675 -11.115 17.996 1.00 0.00 H +ATOM 421 2HE2 GLN A 27 3.518 -9.748 18.647 1.00 0.00 H +ATOM 422 N GLU A 28 8.829 -11.590 16.666 1.00 0.00 N +ATOM 423 CA GLU A 28 10.211 -11.966 16.298 1.00 0.00 C +ATOM 424 C GLU A 28 10.566 -11.438 14.920 1.00 0.00 C +ATOM 425 O GLU A 28 11.670 -11.000 14.716 1.00 0.00 O +ATOM 426 CB GLU A 28 10.381 -13.475 16.305 1.00 0.00 C +ATOM 427 CG GLU A 28 11.766 -13.960 15.918 1.00 0.00 C +ATOM 428 CD GLU A 28 12.852 -13.433 16.818 1.00 0.00 C +ATOM 429 OE1 GLU A 28 12.616 -13.198 18.015 1.00 0.00 O +ATOM 430 OE2 GLU A 28 13.956 -13.257 16.321 1.00 0.00 O +ATOM 431 H GLU A 28 8.138 -12.316 16.788 1.00 0.00 H +ATOM 432 HA GLU A 28 10.893 -11.538 17.033 1.00 0.00 H +ATOM 433 1HB GLU A 28 10.161 -13.861 17.300 1.00 0.00 H +ATOM 434 2HB GLU A 28 9.668 -13.925 15.614 1.00 0.00 H +ATOM 435 1HG GLU A 28 11.781 -15.049 15.953 1.00 0.00 H +ATOM 436 2HG GLU A 28 11.973 -13.654 14.893 1.00 0.00 H +ATOM 437 N VAL A 29 9.616 -11.456 13.983 1.00 50.00 N +ATOM 438 CA VAL A 29 9.851 -10.923 12.656 1.00 50.00 C +ATOM 439 C VAL A 29 9.863 -9.386 12.651 1.00 50.00 C +ATOM 440 O VAL A 29 10.736 -8.785 12.020 1.00 50.00 O +ATOM 441 CB VAL A 29 8.935 -11.499 11.550 1.00 50.00 C +ATOM 442 CG1 VAL A 29 9.297 -10.911 10.170 1.00 50.00 C +ATOM 443 CG2 VAL A 29 9.087 -13.023 11.462 1.00 50.00 C +ATOM 444 H VAL A 29 8.712 -11.850 14.202 1.00 50.00 H +ATOM 445 HA VAL A 29 10.875 -11.161 12.364 1.00 50.00 H +ATOM 446 HB VAL A 29 7.899 -11.256 11.786 1.00 50.00 H +ATOM 447 1HG1 VAL A 29 8.638 -11.332 9.411 1.00 50.00 H +ATOM 448 2HG1 VAL A 29 9.177 -9.828 10.193 1.00 50.00 H +ATOM 449 3HG1 VAL A 29 10.331 -11.158 9.929 1.00 50.00 H +ATOM 450 1HG2 VAL A 29 8.435 -13.409 10.679 1.00 50.00 H +ATOM 451 2HG2 VAL A 29 10.122 -13.273 11.228 1.00 50.00 H +ATOM 452 3HG2 VAL A 29 8.813 -13.472 12.417 1.00 50.00 H +ATOM 453 N MET A 30 8.916 -8.745 13.335 1.00 50.00 N +ATOM 454 CA MET A 30 9.002 -7.285 13.602 1.00 50.00 C +ATOM 455 C MET A 30 10.415 -6.873 14.100 1.00 50.00 C +ATOM 456 O MET A 30 11.004 -5.866 13.613 1.00 50.00 O +ATOM 457 CB MET A 30 7.965 -6.847 14.636 1.00 50.00 C +ATOM 458 CG MET A 30 6.454 -7.042 14.259 1.00 50.00 C +ATOM 459 SD MET A 30 5.759 -5.475 13.767 1.00 50.00 S +ATOM 460 CE MET A 30 6.422 -5.527 12.153 1.00 50.00 C +ATOM 461 H MET A 30 8.120 -9.262 13.681 1.00 50.00 H +ATOM 462 HA MET A 30 8.804 -6.751 12.673 1.00 50.00 H +ATOM 463 1HB MET A 30 8.124 -7.394 15.564 1.00 50.00 H +ATOM 464 2HB MET A 30 8.094 -5.786 14.854 1.00 50.00 H +ATOM 465 1HG MET A 30 6.372 -7.761 13.444 1.00 50.00 H +ATOM 466 2HG MET A 30 5.913 -7.438 15.118 1.00 50.00 H +ATOM 467 1HE MET A 30 6.127 -4.629 11.609 1.00 50.00 H +ATOM 468 2HE MET A 30 7.510 -5.578 12.208 1.00 50.00 H +ATOM 469 3HE MET A 30 6.044 -6.407 11.632 1.00 50.00 H +ATOM 470 N LEU A 31 10.988 -7.652 15.031 1.00 0.00 N +ATOM 471 CA LEU A 31 12.340 -7.351 15.545 1.00 0.00 C +ATOM 472 C LEU A 31 13.358 -7.116 14.454 1.00 0.00 C +ATOM 473 O LEU A 31 14.235 -6.260 14.582 1.00 0.00 O +ATOM 474 CB LEU A 31 12.920 -8.461 16.378 1.00 0.00 C +ATOM 475 CG LEU A 31 12.516 -8.633 17.815 1.00 0.00 C +ATOM 476 CD1 LEU A 31 13.621 -9.475 18.428 1.00 0.00 C +ATOM 477 CD2 LEU A 31 12.359 -7.321 18.561 1.00 0.00 C +ATOM 478 H LEU A 31 10.493 -8.456 15.389 1.00 0.00 H +ATOM 479 HA LEU A 31 12.280 -6.468 16.180 1.00 0.00 H +ATOM 480 1HB LEU A 31 12.684 -9.412 15.903 1.00 0.00 H +ATOM 481 2HB LEU A 31 14.004 -8.349 16.401 1.00 0.00 H +ATOM 482 HG LEU A 31 11.559 -9.153 17.864 1.00 0.00 H +ATOM 483 1HD1 LEU A 31 13.404 -9.649 19.482 1.00 0.00 H +ATOM 484 2HD1 LEU A 31 13.681 -10.431 17.908 1.00 0.00 H +ATOM 485 3HD1 LEU A 31 14.571 -8.951 18.335 1.00 0.00 H +ATOM 486 1HD2 LEU A 31 12.065 -7.521 19.592 1.00 0.00 H +ATOM 487 2HD2 LEU A 31 13.306 -6.781 18.552 1.00 0.00 H +ATOM 488 3HD2 LEU A 31 11.592 -6.716 18.076 1.00 0.00 H +ATOM 489 N TRP A 32 13.259 -7.892 13.383 1.00 50.00 N +ATOM 490 CA TRP A 32 14.203 -7.792 12.276 1.00 50.00 C +ATOM 491 C TRP A 32 13.815 -6.765 11.247 1.00 50.00 C +ATOM 492 O TRP A 32 14.680 -6.084 10.714 1.00 50.00 O +ATOM 493 CB TRP A 32 14.434 -9.176 11.620 1.00 50.00 C +ATOM 494 CG TRP A 32 15.451 -9.974 12.412 1.00 50.00 C +ATOM 495 CD1 TRP A 32 15.274 -10.508 13.660 1.00 50.00 C +ATOM 496 CD2 TRP A 32 16.811 -10.252 12.049 1.00 50.00 C +ATOM 497 NE1 TRP A 32 16.426 -11.118 14.084 1.00 50.00 N +ATOM 498 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.00 C +ATOM 499 CE3 TRP A 32 17.596 -9.978 10.915 1.00 50.00 C +ATOM 500 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 50.00 C +ATOM 501 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 50.00 C +ATOM 502 CH2 TRP A 32 19.457 -11.179 11.966 1.00 50.00 C +ATOM 503 H TRP A 32 12.511 -8.569 13.332 1.00 50.00 H +ATOM 504 HA TRP A 32 15.155 -7.432 12.665 1.00 50.00 H +ATOM 505 1HB TRP A 32 13.490 -9.719 11.574 1.00 50.00 H +ATOM 506 2HB TRP A 32 14.784 -9.040 10.597 1.00 50.00 H +ATOM 507 HD1 TRP A 32 14.351 -10.456 14.234 1.00 50.00 H +ATOM 508 HE1 TRP A 32 16.551 -11.590 14.968 1.00 50.00 H +ATOM 509 HE3 TRP A 32 17.186 -9.415 10.077 1.00 50.00 H +ATOM 510 HZ2 TRP A 32 19.149 -12.018 13.909 1.00 50.00 H +ATOM 511 HZ3 TRP A 32 19.520 -10.232 10.001 1.00 50.00 H +ATOM 512 HH2 TRP A 32 20.487 -11.531 11.908 1.00 50.00 H +ATOM 513 N LEU A 33 12.513 -6.675 10.940 1.00 50.00 N +ATOM 514 CA LEU A 33 12.064 -5.938 9.748 1.00 50.00 C +ATOM 515 C LEU A 33 11.276 -4.671 10.013 1.00 50.00 C +ATOM 516 O LEU A 33 10.924 -3.983 9.080 1.00 50.00 O +ATOM 517 CB LEU A 33 11.233 -6.839 8.878 1.00 50.00 C +ATOM 518 CG LEU A 33 11.918 -8.085 8.317 1.00 50.00 C +ATOM 519 CD1 LEU A 33 10.910 -8.843 7.468 1.00 50.00 C +ATOM 520 CD2 LEU A 33 13.127 -7.730 7.481 1.00 50.00 C +ATOM 521 H LEU A 33 11.825 -7.118 11.533 1.00 50.00 H +ATOM 522 HA LEU A 33 12.942 -5.616 9.189 1.00 50.00 H +ATOM 523 1HB LEU A 33 10.373 -7.179 9.452 1.00 50.00 H +ATOM 524 2HB LEU A 33 10.871 -6.263 8.027 1.00 50.00 H +ATOM 525 HG LEU A 33 12.245 -8.722 9.139 1.00 50.00 H +ATOM 526 1HD1 LEU A 33 11.379 -9.737 7.058 1.00 50.00 H +ATOM 527 2HD1 LEU A 33 10.059 -9.131 8.085 1.00 50.00 H +ATOM 528 3HD1 LEU A 33 10.569 -8.206 6.653 1.00 50.00 H +ATOM 529 1HD2 LEU A 33 13.587 -8.642 7.101 1.00 50.00 H +ATOM 530 2HD2 LEU A 33 12.819 -7.103 6.644 1.00 50.00 H +ATOM 531 3HD2 LEU A 33 13.847 -7.189 8.095 1.00 50.00 H +ATOM 532 N ALA A 34 10.907 -4.411 11.268 1.00 50.00 N +ATOM 533 CA ALA A 34 10.056 -3.268 11.565 1.00 50.00 C +ATOM 534 C ALA A 34 10.862 -1.975 11.403 1.00 50.00 C +ATOM 535 O ALA A 34 12.082 -1.978 11.519 1.00 50.00 O +ATOM 536 CB ALA A 34 9.465 -3.347 12.957 1.00 50.00 C +ATOM 537 H ALA A 34 11.215 -5.005 12.025 1.00 50.00 H +ATOM 538 HA ALA A 34 9.235 -3.262 10.848 1.00 50.00 H +ATOM 539 1HB ALA A 34 8.837 -2.474 13.136 1.00 50.00 H +ATOM 540 2HB ALA A 34 8.863 -4.251 13.046 1.00 50.00 H +ATOM 541 3HB ALA A 34 10.268 -3.373 13.692 1.00 50.00 H +ATOM 542 N TRP A 35 10.155 -0.894 11.107 1.00 50.00 N +ATOM 543 CA TRP A 35 10.693 0.459 11.269 1.00 50.00 C +ATOM 544 C TRP A 35 11.472 0.587 12.576 1.00 50.00 C +ATOM 545 O TRP A 35 11.038 0.080 13.600 1.00 50.00 O +ATOM 546 CB TRP A 35 9.517 1.447 11.271 1.00 50.00 C +ATOM 547 CG TRP A 35 9.951 2.906 11.133 1.00 50.00 C +ATOM 548 CD1 TRP A 35 10.377 3.717 12.133 1.00 50.00 C +ATOM 549 CD2 TRP A 35 9.966 3.686 9.948 1.00 50.00 C +ATOM 550 NE1 TRP A 35 10.627 4.940 11.653 1.00 50.00 N +ATOM 551 CE2 TRP A 35 10.422 4.945 10.299 1.00 50.00 C +ATOM 552 CE3 TRP A 35 9.655 3.426 8.599 1.00 50.00 C +ATOM 553 CZ2 TRP A 35 10.565 5.987 9.363 1.00 50.00 C +ATOM 554 CZ3 TRP A 35 9.803 4.467 7.656 1.00 50.00 C +ATOM 555 CH2 TRP A 35 10.228 5.727 8.058 1.00 50.00 C +ATOM 556 H TRP A 35 9.214 -1.011 10.758 1.00 50.00 H +ATOM 557 HA TRP A 35 11.351 0.673 10.427 1.00 50.00 H +ATOM 558 1HB TRP A 35 8.841 1.210 10.449 1.00 50.00 H +ATOM 559 2HB TRP A 35 8.955 1.341 12.199 1.00 50.00 H +ATOM 560 HD1 TRP A 35 10.497 3.415 13.172 1.00 50.00 H +ATOM 561 HE1 TRP A 35 10.920 5.738 12.199 1.00 50.00 H +ATOM 562 HE3 TRP A 35 9.309 2.440 8.290 1.00 50.00 H +ATOM 563 HZ2 TRP A 35 10.931 6.974 9.646 1.00 50.00 H +ATOM 564 HZ3 TRP A 35 9.577 4.263 6.609 1.00 50.00 H +ATOM 565 HH2 TRP A 35 10.294 6.526 7.319 1.00 50.00 H +ATOM 566 N PRO A 36 12.628 1.291 12.620 1.00 50.00 N +ATOM 567 CA PRO A 36 13.446 1.307 13.833 1.00 50.00 C +ATOM 568 C PRO A 36 12.639 1.725 15.032 1.00 50.00 C +ATOM 569 O PRO A 36 12.040 2.788 15.039 1.00 50.00 O +ATOM 570 CB PRO A 36 14.520 2.316 13.518 1.00 50.00 C +ATOM 571 CG PRO A 36 14.580 2.343 12.032 1.00 50.00 C +ATOM 572 CD PRO A 36 13.221 2.063 11.521 1.00 50.00 C +ATOM 573 HA PRO A 36 13.882 0.309 13.989 1.00 50.00 H +ATOM 574 1HB PRO A 36 14.257 3.293 13.950 1.00 50.00 H +ATOM 575 2HB PRO A 36 15.472 2.008 13.976 1.00 50.00 H +ATOM 576 1HG PRO A 36 14.937 3.324 11.684 1.00 50.00 H +ATOM 577 2HG PRO A 36 15.299 1.595 11.667 1.00 50.00 H +ATOM 578 1HD PRO A 36 12.691 3.011 11.349 1.00 50.00 H +ATOM 579 2HD PRO A 36 13.291 1.483 10.589 1.00 50.00 H +ATOM 580 N PHE A 37 12.626 0.871 16.052 1.00 0.00 N +ATOM 581 CA PHE A 37 11.836 1.126 17.250 1.00 0.00 C +ATOM 582 C PHE A 37 12.759 1.473 18.386 1.00 0.00 C +ATOM 583 O PHE A 37 12.326 1.700 19.484 1.00 0.00 O +ATOM 584 CB PHE A 37 10.941 -0.084 17.593 1.00 0.00 C +ATOM 585 CG PHE A 37 11.636 -1.397 17.472 1.00 0.00 C +ATOM 586 CD1 PHE A 37 12.377 -1.895 18.524 1.00 0.00 C +ATOM 587 CD2 PHE A 37 11.578 -2.116 16.305 1.00 0.00 C +ATOM 588 CE1 PHE A 37 13.028 -3.099 18.418 1.00 0.00 C +ATOM 589 CE2 PHE A 37 12.272 -3.319 16.173 1.00 0.00 C +ATOM 590 CZ PHE A 37 12.975 -3.813 17.234 1.00 0.00 C +ATOM 591 H PHE A 37 13.176 0.026 15.996 1.00 0.00 H +ATOM 592 HA PHE A 37 11.193 1.987 17.064 1.00 0.00 H +ATOM 593 1HB PHE A 37 10.573 0.014 18.613 1.00 0.00 H +ATOM 594 2HB PHE A 37 10.075 -0.095 16.932 1.00 0.00 H +ATOM 595 HD1 PHE A 37 12.442 -1.321 19.449 1.00 0.00 H +ATOM 596 HD2 PHE A 37 11.015 -1.716 15.461 1.00 0.00 H +ATOM 597 HE1 PHE A 37 13.586 -3.492 19.267 1.00 0.00 H +ATOM 598 HE2 PHE A 37 12.256 -3.864 15.229 1.00 0.00 H +ATOM 599 HZ PHE A 37 13.494 -4.767 17.148 1.00 0.00 H +ATOM 600 N ASP A 38 14.050 1.555 18.090 1.00 0.00 N +ATOM 601 CA ASP A 38 15.075 1.966 19.047 1.00 0.00 C +ATOM 602 C ASP A 38 16.106 2.796 18.288 1.00 0.00 C +ATOM 603 O ASP A 38 16.407 2.470 17.139 1.00 0.00 O +ATOM 604 CB ASP A 38 15.753 0.725 19.607 1.00 0.00 C +ATOM 605 CG ASP A 38 16.511 1.013 20.870 1.00 0.00 C +ATOM 606 OD1 ASP A 38 15.878 1.536 21.804 1.00 0.00 O +ATOM 607 OD2 ASP A 38 17.729 0.749 20.929 1.00 0.00 O +ATOM 608 H ASP A 38 14.324 1.317 17.147 1.00 0.00 H +ATOM 609 HA ASP A 38 14.592 2.512 19.858 1.00 0.00 H +ATOM 610 1HB ASP A 38 15.003 -0.040 19.810 1.00 0.00 H +ATOM 611 2HB ASP A 38 16.441 0.320 18.864 1.00 0.00 H +ATOM 612 N PRO A 39 16.724 3.840 18.902 1.00 0.00 N +ATOM 613 CA PRO A 39 17.755 4.632 18.212 1.00 0.00 C +ATOM 614 C PRO A 39 18.913 3.812 17.685 1.00 0.00 C +ATOM 615 O PRO A 39 19.464 4.130 16.633 1.00 0.00 O +ATOM 616 CB PRO A 39 18.289 5.574 19.296 1.00 0.00 C +ATOM 617 CG PRO A 39 17.285 5.541 20.392 1.00 0.00 C +ATOM 618 CD PRO A 39 16.470 4.299 20.284 1.00 0.00 C +ATOM 619 HA PRO A 39 17.286 5.207 17.399 1.00 0.00 H +ATOM 620 1HB PRO A 39 19.280 5.236 19.634 1.00 0.00 H +ATOM 621 2HB PRO A 39 18.418 6.586 18.885 1.00 0.00 H +ATOM 622 1HG PRO A 39 17.788 5.578 21.369 1.00 0.00 H +ATOM 623 2HG PRO A 39 16.633 6.425 20.337 1.00 0.00 H +ATOM 624 1HD PRO A 39 16.820 3.564 21.024 1.00 0.00 H +ATOM 625 2HD PRO A 39 15.409 4.540 20.449 1.00 0.00 H +ATOM 626 N THR A 40 19.277 2.747 18.400 1.00 0.00 N +ATOM 627 CA THR A 40 20.337 1.894 17.952 1.00 0.00 C +ATOM 628 C THR A 40 20.045 1.181 16.610 1.00 0.00 C +ATOM 629 O THR A 40 20.951 0.584 16.037 1.00 0.00 O +ATOM 630 CB THR A 40 20.678 0.863 19.016 1.00 0.00 C +ATOM 631 OG1 THR A 40 19.525 0.076 19.264 1.00 0.00 O +ATOM 632 CG2 THR A 40 21.073 1.510 20.322 1.00 0.00 C +ATOM 633 H THR A 40 18.806 2.532 19.267 1.00 0.00 H +ATOM 634 HA THR A 40 21.219 2.507 17.766 1.00 0.00 H +ATOM 635 HB THR A 40 21.508 0.246 18.672 1.00 0.00 H +ATOM 636 HG1 THR A 40 18.805 0.378 18.705 1.00 0.00 H +ATOM 637 1HG2 THR A 40 21.309 0.738 21.054 1.00 0.00 H +ATOM 638 2HG2 THR A 40 21.948 2.141 20.165 1.00 0.00 H +ATOM 639 3HG2 THR A 40 20.248 2.119 20.690 1.00 0.00 H +ATOM 640 N LEU A 41 18.793 1.226 16.124 1.00 0.00 N +ATOM 641 CA LEU A 41 18.410 0.542 14.885 1.00 0.00 C +ATOM 642 C LEU A 41 18.334 1.506 13.702 1.00 0.00 C +ATOM 643 O LEU A 41 18.028 1.106 12.575 1.00 0.00 O +ATOM 644 CB LEU A 41 17.076 -0.220 15.056 1.00 0.00 C +ATOM 645 CG LEU A 41 16.985 -1.150 16.320 1.00 0.00 C +ATOM 646 CD1 LEU A 41 15.662 -1.884 16.460 1.00 0.00 C +ATOM 647 CD2 LEU A 41 18.115 -2.167 16.355 1.00 0.00 C +ATOM 648 H LEU A 41 18.095 1.750 16.633 1.00 0.00 H +ATOM 649 HA LEU A 41 19.186 -0.180 14.635 1.00 0.00 H +ATOM 650 1HB LEU A 41 16.267 0.506 15.118 1.00 0.00 H +ATOM 651 2HB LEU A 41 16.914 -0.840 14.174 1.00 0.00 H +ATOM 652 HG LEU A 41 17.043 -0.543 17.224 1.00 0.00 H +ATOM 653 1HD1 LEU A 41 15.682 -2.503 17.357 1.00 0.00 H +ATOM 654 2HD1 LEU A 41 14.851 -1.160 16.538 1.00 0.00 H +ATOM 655 3HD1 LEU A 41 15.503 -2.516 15.587 1.00 0.00 H +ATOM 656 1HD2 LEU A 41 18.017 -2.790 17.244 1.00 0.00 H +ATOM 657 2HD2 LEU A 41 18.067 -2.795 15.465 1.00 0.00 H +ATOM 658 3HD2 LEU A 41 19.072 -1.646 16.381 1.00 0.00 H +ATOM 659 N LYS A 42 18.624 2.785 13.974 1.00 50.00 N +ATOM 660 CA LYS A 42 18.436 3.848 13.020 1.00 50.00 C +ATOM 661 C LYS A 42 19.286 3.625 11.767 1.00 50.00 C +ATOM 662 O LYS A 42 18.872 4.015 10.666 1.00 50.00 O +ATOM 663 CB LYS A 42 18.725 5.194 13.687 1.00 50.00 C +ATOM 664 CG LYS A 42 20.195 5.447 14.037 1.00 50.00 C +ATOM 665 CD LYS A 42 20.368 6.570 15.079 1.00 50.00 C +ATOM 666 CE LYS A 42 21.608 6.371 15.947 1.00 50.00 C +ATOM 667 NZ LYS A 42 21.438 7.011 17.296 1.00 50.00 N +ATOM 668 H LYS A 42 18.990 3.005 14.890 1.00 50.00 H +ATOM 669 HA LYS A 42 17.398 3.832 12.685 1.00 50.00 H +ATOM 670 1HB LYS A 42 18.402 6.002 13.031 1.00 50.00 H +ATOM 671 2HB LYS A 42 18.151 5.273 14.611 1.00 50.00 H +ATOM 672 1HG LYS A 42 20.636 4.534 14.439 1.00 50.00 H +ATOM 673 2HG LYS A 42 20.740 5.727 13.136 1.00 50.00 H +ATOM 674 1HD LYS A 42 20.453 7.530 14.569 1.00 50.00 H +ATOM 675 2HD LYS A 42 19.494 6.601 15.729 1.00 50.00 H +ATOM 676 1HE LYS A 42 21.793 5.306 16.078 1.00 50.00 H +ATOM 677 2HE LYS A 42 22.474 6.810 15.451 1.00 50.00 H +ATOM 678 1HZ LYS A 42 22.272 6.864 17.847 1.00 50.00 H +ATOM 679 2HZ LYS A 42 21.281 8.003 17.182 1.00 50.00 H +ATOM 680 3HZ LYS A 42 20.647 6.598 17.768 1.00 50.00 H +ATOM 681 N PHE A 43 20.439 2.952 11.920 1.00 50.00 N +ATOM 682 CA PHE A 43 21.320 2.687 10.773 1.00 50.00 C +ATOM 683 C PHE A 43 20.990 1.453 9.900 1.00 50.00 C +ATOM 684 O PHE A 43 21.536 1.304 8.793 1.00 50.00 O +ATOM 685 CB PHE A 43 22.763 2.671 11.248 1.00 50.00 C +ATOM 686 CG PHE A 43 23.177 3.928 11.981 1.00 50.00 C +ATOM 687 CD1 PHE A 43 23.282 5.137 11.302 1.00 50.00 C +ATOM 688 CD2 PHE A 43 23.478 3.896 13.339 1.00 50.00 C +ATOM 689 CE1 PHE A 43 23.679 6.297 11.951 1.00 50.00 C +ATOM 690 CE2 PHE A 43 23.890 5.053 14.002 1.00 50.00 C +ATOM 691 CZ PHE A 43 23.978 6.261 13.308 1.00 50.00 C +ATOM 692 H PHE A 43 20.710 2.621 12.835 1.00 50.00 H +ATOM 693 HA PHE A 43 21.189 3.488 10.044 1.00 50.00 H +ATOM 694 1HB PHE A 43 22.917 1.822 11.913 1.00 50.00 H +ATOM 695 2HB PHE A 43 23.426 2.541 10.393 1.00 50.00 H +ATOM 696 HD1 PHE A 43 23.046 5.172 10.238 1.00 50.00 H +ATOM 697 HD2 PHE A 43 23.410 2.952 13.881 1.00 50.00 H +ATOM 698 HE1 PHE A 43 23.755 7.232 11.397 1.00 50.00 H +ATOM 699 HE2 PHE A 43 24.144 5.014 15.061 1.00 50.00 H +ATOM 700 HZ PHE A 43 24.280 7.171 13.825 1.00 50.00 H +ATOM 701 N GLU A 44 20.043 0.629 10.371 1.00 50.00 N +ATOM 702 CA GLU A 44 19.617 -0.593 9.693 1.00 50.00 C +ATOM 703 C GLU A 44 18.622 -0.203 8.593 1.00 50.00 C +ATOM 704 O GLU A 44 17.382 -0.282 8.770 1.00 50.00 O +ATOM 705 CB GLU A 44 19.066 -1.573 10.729 1.00 50.00 C +ATOM 706 CG GLU A 44 20.165 -2.043 11.669 1.00 50.00 C +ATOM 707 CD GLU A 44 19.742 -3.024 12.766 1.00 50.00 C +ATOM 708 OE1 GLU A 44 18.583 -3.480 12.858 1.00 50.00 O +ATOM 709 OE2 GLU A 44 20.606 -3.345 13.608 1.00 50.00 O +ATOM 710 H GLU A 44 19.609 0.883 11.247 1.00 50.00 H +ATOM 711 HA GLU A 44 20.484 -1.037 9.202 1.00 50.00 H +ATOM 712 1HB GLU A 44 18.274 -1.090 11.302 1.00 50.00 H +ATOM 713 2HB GLU A 44 18.626 -2.431 10.220 1.00 50.00 H +ATOM 714 1HG GLU A 44 20.944 -2.532 11.085 1.00 50.00 H +ATOM 715 2HG GLU A 44 20.606 -1.175 12.158 1.00 50.00 H +ATOM 716 N PHE A 45 19.206 0.157 7.436 1.00 50.00 N +ATOM 717 CA PHE A 45 18.570 0.869 6.312 1.00 50.00 C +ATOM 718 C PHE A 45 17.312 0.220 5.776 1.00 50.00 C +ATOM 719 O PHE A 45 16.362 0.906 5.386 1.00 50.00 O +ATOM 720 CB PHE A 45 19.582 1.149 5.139 1.00 50.00 C +ATOM 721 CG PHE A 45 20.205 -0.102 4.507 1.00 50.00 C +ATOM 722 CD1 PHE A 45 21.340 -0.697 5.058 1.00 50.00 C +ATOM 723 CD2 PHE A 45 19.669 -0.662 3.344 1.00 50.00 C +ATOM 724 CE1 PHE A 45 21.905 -1.826 4.480 1.00 50.00 C +ATOM 725 CE2 PHE A 45 20.233 -1.793 2.775 1.00 50.00 C +ATOM 726 CZ PHE A 45 21.352 -2.371 3.340 1.00 50.00 C +ATOM 727 H PHE A 45 20.179 -0.103 7.366 1.00 50.00 H +ATOM 728 HA PHE A 45 18.204 1.831 6.674 1.00 50.00 H +ATOM 729 1HB PHE A 45 19.077 1.700 4.347 1.00 50.00 H +ATOM 730 2HB PHE A 45 20.397 1.773 5.503 1.00 50.00 H +ATOM 731 HD1 PHE A 45 21.785 -0.266 5.955 1.00 50.00 H +ATOM 732 HD2 PHE A 45 18.785 -0.209 2.894 1.00 50.00 H +ATOM 733 HE1 PHE A 45 22.787 -2.283 4.928 1.00 50.00 H +ATOM 734 HE2 PHE A 45 19.791 -2.226 1.878 1.00 50.00 H +ATOM 735 HZ PHE A 45 21.798 -3.255 2.886 1.00 50.00 H +ATOM 736 N TRP A 46 17.327 -1.115 5.744 1.00 50.00 N +ATOM 737 CA TRP A 46 16.226 -1.916 5.213 1.00 50.00 C +ATOM 738 C TRP A 46 14.900 -1.642 5.951 1.00 50.00 C +ATOM 739 O TRP A 46 13.861 -1.682 5.350 1.00 50.00 O +ATOM 740 CB TRP A 46 16.585 -3.395 5.262 1.00 50.00 C +ATOM 741 CG TRP A 46 16.706 -3.977 6.632 1.00 50.00 C +ATOM 742 CD1 TRP A 46 15.700 -4.501 7.370 1.00 50.00 C +ATOM 743 CD2 TRP A 46 17.902 -4.165 7.399 1.00 50.00 C +ATOM 744 NE1 TRP A 46 16.181 -4.948 8.579 1.00 50.00 N +ATOM 745 CE2 TRP A 46 17.534 -4.764 8.610 1.00 50.00 C +ATOM 746 CE3 TRP A 46 19.264 -3.880 7.175 1.00 50.00 C +ATOM 747 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 50.00 C +ATOM 748 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 50.00 C +ATOM 749 CH2 TRP A 46 19.770 -4.778 9.377 1.00 50.00 C +ATOM 750 H TRP A 46 18.145 -1.583 6.108 1.00 50.00 H +ATOM 751 HA TRP A 46 16.058 -1.629 4.175 1.00 50.00 H +ATOM 752 1HB TRP A 46 15.828 -3.971 4.729 1.00 50.00 H +ATOM 753 2HB TRP A 46 17.536 -3.555 4.755 1.00 50.00 H +ATOM 754 HD1 TRP A 46 14.660 -4.560 7.053 1.00 50.00 H +ATOM 755 HE1 TRP A 46 15.625 -5.346 9.322 1.00 50.00 H +ATOM 756 HE3 TRP A 46 19.593 -3.441 6.234 1.00 50.00 H +ATOM 757 HZ2 TRP A 46 18.167 -5.567 10.542 1.00 50.00 H +ATOM 758 HZ3 TRP A 46 21.228 -3.921 8.015 1.00 50.00 H +ATOM 759 HH2 TRP A 46 20.517 -5.005 10.138 1.00 50.00 H +ATOM 760 N ARG A 47 14.965 -1.396 7.266 1.00 50.00 N +ATOM 761 CA ARG A 47 13.774 -1.164 8.099 1.00 50.00 C +ATOM 762 C ARG A 47 12.815 -0.086 7.561 1.00 50.00 C +ATOM 763 O ARG A 47 11.619 -0.118 7.850 1.00 50.00 O +ATOM 764 CB ARG A 47 14.194 -0.786 9.507 1.00 50.00 C +ATOM 765 CG ARG A 47 14.911 -1.928 10.172 1.00 50.00 C +ATOM 766 CD ARG A 47 15.319 -1.563 11.557 1.00 50.00 C +ATOM 767 NE ARG A 47 15.974 -2.658 12.242 1.00 50.00 N +ATOM 768 CZ ARG A 47 15.357 -3.634 12.920 1.00 50.00 C +ATOM 769 NH1 ARG A 47 14.035 -3.662 13.061 1.00 50.00 N +ATOM 770 NH2 ARG A 47 16.073 -4.568 13.527 1.00 50.00 N +ATOM 771 H ARG A 47 15.879 -1.371 7.696 1.00 50.00 H +ATOM 772 HA ARG A 47 13.194 -2.087 8.139 1.00 50.00 H +ATOM 773 1HB ARG A 47 14.844 0.087 9.470 1.00 50.00 H +ATOM 774 2HB ARG A 47 13.313 -0.514 10.089 1.00 50.00 H +ATOM 775 1HG ARG A 47 14.251 -2.795 10.218 1.00 50.00 H +ATOM 776 2HG ARG A 47 15.803 -2.181 9.598 1.00 50.00 H +ATOM 777 1HD ARG A 47 16.012 -0.723 11.523 1.00 50.00 H +ATOM 778 2HD ARG A 47 14.438 -1.283 12.134 1.00 50.00 H +ATOM 779 HE ARG A 47 16.984 -2.696 12.210 1.00 50.00 H +ATOM 780 1HH1 ARG A 47 13.468 -2.934 12.651 1.00 50.00 H +ATOM 781 2HH1 ARG A 47 13.598 -4.411 13.578 1.00 50.00 H +ATOM 782 1HH2 ARG A 47 17.082 -4.543 13.478 1.00 50.00 H +ATOM 783 2HH2 ARG A 47 15.611 -5.305 14.039 1.00 50.00 H +ATOM 784 N TYR A 48 13.341 0.875 6.789 1.00 50.00 N +ATOM 785 CA TYR A 48 12.532 2.001 6.346 1.00 50.00 C +ATOM 786 C TYR A 48 11.623 1.554 5.229 1.00 50.00 C +ATOM 787 O TYR A 48 10.666 2.255 4.873 1.00 50.00 O +ATOM 788 CB TYR A 48 13.444 3.213 5.947 1.00 50.00 C +ATOM 789 CG TYR A 48 14.271 3.731 7.112 1.00 50.00 C +ATOM 790 CD1 TYR A 48 13.672 4.447 8.140 1.00 50.00 C +ATOM 791 CD2 TYR A 48 15.643 3.532 7.192 1.00 50.00 C +ATOM 792 CE1 TYR A 48 14.388 4.928 9.213 1.00 50.00 C +ATOM 793 CE2 TYR A 48 16.368 4.015 8.271 1.00 50.00 C +ATOM 794 CZ TYR A 48 15.733 4.700 9.279 1.00 50.00 C +ATOM 795 OH TYR A 48 16.448 5.206 10.368 1.00 50.00 O +ATOM 796 H TYR A 48 14.310 0.824 6.507 1.00 50.00 H +ATOM 797 HA TYR A 48 11.886 2.308 7.169 1.00 50.00 H +ATOM 798 1HB TYR A 48 14.118 2.913 5.143 1.00 50.00 H +ATOM 799 2HB TYR A 48 12.824 4.025 5.568 1.00 50.00 H +ATOM 800 HD1 TYR A 48 12.600 4.645 8.114 1.00 50.00 H +ATOM 801 HD2 TYR A 48 16.162 2.992 6.401 1.00 50.00 H +ATOM 802 HE1 TYR A 48 13.881 5.486 10.000 1.00 50.00 H +ATOM 803 HE2 TYR A 48 17.445 3.852 8.321 1.00 50.00 H +ATOM 804 HH TYR A 48 17.378 4.992 10.266 1.00 50.00 H +ATOM 805 N PHE A 49 11.894 0.347 4.727 1.00 50.00 N +ATOM 806 CA PHE A 49 11.133 -0.307 3.652 1.00 50.00 C +ATOM 807 C PHE A 49 10.460 -1.645 4.032 1.00 50.00 C +ATOM 808 O PHE A 49 9.340 -1.921 3.611 1.00 50.00 O +ATOM 809 CB PHE A 49 12.058 -0.518 2.431 1.00 50.00 C +ATOM 810 CG PHE A 49 12.758 0.767 2.010 1.00 50.00 C +ATOM 811 CD1 PHE A 49 12.159 1.640 1.118 1.00 50.00 C +ATOM 812 CD2 PHE A 49 13.944 1.114 2.566 1.00 50.00 C +ATOM 813 CE1 PHE A 49 12.756 2.834 0.766 1.00 50.00 C +ATOM 814 CE2 PHE A 49 14.558 2.290 2.234 1.00 50.00 C +ATOM 815 CZ PHE A 49 13.976 3.144 1.321 1.00 50.00 C +ATOM 816 H PHE A 49 12.685 -0.133 5.132 1.00 50.00 H +ATOM 817 HA PHE A 49 10.305 0.344 3.368 1.00 50.00 H +ATOM 818 1HB PHE A 49 12.809 -1.270 2.670 1.00 50.00 H +ATOM 819 2HB PHE A 49 11.473 -0.895 1.593 1.00 50.00 H +ATOM 820 HD1 PHE A 49 11.193 1.379 0.684 1.00 50.00 H +ATOM 821 HD2 PHE A 49 14.408 0.442 3.288 1.00 50.00 H +ATOM 822 HE1 PHE A 49 12.260 3.504 0.064 1.00 50.00 H +ATOM 823 HE2 PHE A 49 15.511 2.551 2.693 1.00 50.00 H +ATOM 824 HZ PHE A 49 14.486 4.064 1.039 1.00 50.00 H +ATOM 825 N THR A 50 11.132 -2.451 4.844 1.00 50.00 N +ATOM 826 CA THR A 50 10.707 -3.814 5.030 1.00 50.00 C +ATOM 827 C THR A 50 9.473 -3.994 5.960 1.00 50.00 C +ATOM 828 O THR A 50 8.894 -5.070 5.978 1.00 50.00 O +ATOM 829 CB THR A 50 11.825 -4.680 5.558 1.00 50.00 C +ATOM 830 OG1 THR A 50 12.319 -4.098 6.755 1.00 50.00 O +ATOM 831 CG2 THR A 50 12.942 -4.879 4.475 1.00 50.00 C +ATOM 832 H THR A 50 11.947 -2.118 5.339 1.00 50.00 H +ATOM 833 HA THR A 50 10.397 -4.214 4.065 1.00 50.00 H +ATOM 834 HB THR A 50 11.428 -5.655 5.839 1.00 50.00 H +ATOM 835 HG1 THR A 50 11.828 -3.295 6.946 1.00 50.00 H +ATOM 836 1HG2 THR A 50 13.735 -5.507 4.881 1.00 50.00 H +ATOM 837 2HG2 THR A 50 12.514 -5.358 3.595 1.00 50.00 H +ATOM 838 3HG2 THR A 50 13.354 -3.910 4.196 1.00 50.00 H +ATOM 839 N HIS A 51 9.049 -2.926 6.660 1.00 0.00 N +ATOM 840 CA HIS A 51 7.741 -2.870 7.304 1.00 0.00 C +ATOM 841 C HIS A 51 6.588 -3.247 6.294 1.00 0.00 C +ATOM 842 O HIS A 51 5.570 -3.902 6.655 1.00 0.00 O +ATOM 843 CB HIS A 51 7.503 -1.499 7.945 1.00 0.00 C +ATOM 844 CG HIS A 51 7.516 -0.368 6.955 1.00 0.00 C +ATOM 845 ND1 HIS A 51 6.423 -0.057 6.173 1.00 0.00 N +ATOM 846 CD2 HIS A 51 8.525 0.452 6.555 1.00 0.00 C +ATOM 847 CE1 HIS A 51 6.749 0.938 5.360 1.00 0.00 C +ATOM 848 NE2 HIS A 51 8.019 1.271 5.576 1.00 0.00 N +ATOM 849 H HIS A 51 9.670 -2.133 6.738 1.00 0.00 H +ATOM 850 HA HIS A 51 7.691 -3.621 8.092 1.00 0.00 H +ATOM 851 1HB HIS A 51 6.540 -1.498 8.456 1.00 0.00 H +ATOM 852 2HB HIS A 51 8.271 -1.310 8.694 1.00 0.00 H +ATOM 853 HD2 HIS A 51 9.539 0.473 6.956 1.00 0.00 H +ATOM 854 HE1 HIS A 51 6.088 1.409 4.633 1.00 0.00 H +ATOM 855 HE2 HIS A 51 8.527 2.003 5.101 1.00 0.00 H +ATOM 856 N ALA A 52 6.782 -2.919 5.019 1.00 50.00 N +ATOM 857 CA ALA A 52 5.792 -3.223 3.989 1.00 50.00 C +ATOM 858 C ALA A 52 5.590 -4.711 3.614 1.00 50.00 C +ATOM 859 O ALA A 52 4.542 -5.062 3.039 1.00 50.00 O +ATOM 860 CB ALA A 52 6.049 -2.408 2.733 1.00 50.00 C +ATOM 861 H ALA A 52 7.636 -2.448 4.757 1.00 50.00 H +ATOM 862 HA ALA A 52 4.808 -2.963 4.378 1.00 50.00 H +ATOM 863 1HB ALA A 52 5.299 -2.652 1.981 1.00 50.00 H +ATOM 864 2HB ALA A 52 5.992 -1.346 2.971 1.00 50.00 H +ATOM 865 3HB ALA A 52 7.040 -2.640 2.345 1.00 50.00 H +ATOM 866 N LEU A 53 6.530 -5.556 4.027 1.00 50.00 N +ATOM 867 CA LEU A 53 6.584 -7.005 3.691 1.00 50.00 C +ATOM 868 C LEU A 53 5.915 -7.918 4.709 1.00 50.00 C +ATOM 869 O LEU A 53 5.792 -9.102 4.463 1.00 50.00 O +ATOM 870 CB LEU A 53 8.029 -7.469 3.544 1.00 50.00 C +ATOM 871 CG LEU A 53 8.815 -6.756 2.425 1.00 50.00 C +ATOM 872 CD1 LEU A 53 10.206 -7.346 2.332 1.00 50.00 C +ATOM 873 CD2 LEU A 53 8.135 -6.871 1.057 1.00 50.00 C +ATOM 874 H LEU A 53 7.251 -5.159 4.612 1.00 50.00 H +ATOM 875 HA LEU A 53 6.072 -7.159 2.742 1.00 50.00 H +ATOM 876 1HB LEU A 53 8.545 -7.301 4.488 1.00 50.00 H +ATOM 877 2HB LEU A 53 8.031 -8.539 3.338 1.00 50.00 H +ATOM 878 HG LEU A 53 8.907 -5.696 2.663 1.00 50.00 H +ATOM 879 1HD1 LEU A 53 10.763 -6.843 1.541 1.00 50.00 H +ATOM 880 2HD1 LEU A 53 10.723 -7.210 3.282 1.00 50.00 H +ATOM 881 3HD1 LEU A 53 10.136 -8.409 2.105 1.00 50.00 H +ATOM 882 1HD2 LEU A 53 8.733 -6.350 0.308 1.00 50.00 H +ATOM 883 2HD2 LEU A 53 8.045 -7.922 0.782 1.00 50.00 H +ATOM 884 3HD2 LEU A 53 7.142 -6.423 1.105 1.00 50.00 H +ATOM 885 N MET A 54 5.497 -7.349 5.856 1.00 50.00 N +ATOM 886 CA MET A 54 4.914 -8.106 6.965 1.00 50.00 C +ATOM 887 C MET A 54 3.382 -7.947 6.949 1.00 50.00 C +ATOM 888 O MET A 54 2.854 -6.847 6.781 1.00 50.00 O +ATOM 889 CB MET A 54 5.437 -7.525 8.261 1.00 50.00 C +ATOM 890 CG MET A 54 6.839 -7.943 8.554 1.00 50.00 C +ATOM 891 SD MET A 54 7.443 -7.391 10.149 1.00 50.00 S +ATOM 892 CE MET A 54 7.634 -5.644 9.710 1.00 50.00 C +ATOM 893 H MET A 54 5.597 -6.348 5.943 1.00 50.00 H +ATOM 894 HA MET A 54 5.226 -9.146 6.876 1.00 50.00 H +ATOM 895 1HB MET A 54 5.398 -6.438 8.214 1.00 50.00 H +ATOM 896 2HB MET A 54 4.797 -7.840 9.086 1.00 50.00 H +ATOM 897 1HG MET A 54 6.907 -9.030 8.530 1.00 50.00 H +ATOM 898 2HG MET A 54 7.505 -7.543 7.790 1.00 50.00 H +ATOM 899 1HE MET A 54 8.008 -5.091 10.572 1.00 50.00 H +ATOM 900 2HE MET A 54 8.340 -5.551 8.884 1.00 50.00 H +ATOM 901 3HE MET A 54 6.668 -5.237 9.409 1.00 50.00 H +ATOM 902 N HIS A 55 2.668 -9.064 7.109 1.00 0.00 N +ATOM 903 CA HIS A 55 1.256 -9.041 7.309 1.00 0.00 C +ATOM 904 C HIS A 55 0.834 -9.788 8.561 1.00 0.00 C +ATOM 905 O HIS A 55 1.401 -10.777 8.903 1.00 0.00 O +ATOM 906 CB HIS A 55 0.538 -9.571 6.076 1.00 0.00 C +ATOM 907 CG HIS A 55 0.787 -8.754 4.864 1.00 0.00 C +ATOM 908 ND1 HIS A 55 1.855 -8.986 4.013 1.00 0.00 N +ATOM 909 CD2 HIS A 55 0.141 -7.670 4.377 1.00 0.00 C +ATOM 910 CE1 HIS A 55 1.833 -8.099 3.042 1.00 0.00 C +ATOM 911 NE2 HIS A 55 0.812 -7.281 3.240 1.00 0.00 N +ATOM 912 H HIS A 55 3.147 -9.953 7.087 1.00 0.00 H +ATOM 913 HA HIS A 55 0.929 -8.015 7.479 1.00 0.00 H +ATOM 914 1HB HIS A 55 0.861 -10.594 5.878 1.00 0.00 H +ATOM 915 2HB HIS A 55 -0.535 -9.597 6.263 1.00 0.00 H +ATOM 916 HD2 HIS A 55 -0.743 -7.194 4.801 1.00 0.00 H +ATOM 917 HE1 HIS A 55 2.537 -8.045 2.212 1.00 0.00 H +ATOM 918 HE2 HIS A 55 0.561 -6.497 2.655 1.00 0.00 H +ATOM 919 N PHE A 56 -0.224 -9.297 9.210 1.00 50.00 N +ATOM 920 CA PHE A 56 -0.708 -9.848 10.483 1.00 50.00 C +ATOM 921 C PHE A 56 -1.894 -10.724 10.375 1.00 50.00 C +ATOM 922 O PHE A 56 -2.246 -11.366 11.323 1.00 50.00 O +ATOM 923 CB PHE A 56 -0.999 -8.701 11.447 1.00 50.00 C +ATOM 924 CG PHE A 56 0.164 -7.779 11.599 1.00 50.00 C +ATOM 925 CD1 PHE A 56 1.377 -8.268 12.126 1.00 50.00 C +ATOM 926 CD2 PHE A 56 0.083 -6.449 11.227 1.00 50.00 C +ATOM 927 CE1 PHE A 56 2.493 -7.438 12.246 1.00 50.00 C +ATOM 928 CE2 PHE A 56 1.195 -5.602 11.370 1.00 50.00 C +ATOM 929 CZ PHE A 56 2.408 -6.109 11.847 1.00 50.00 C +ATOM 930 H PHE A 56 -0.707 -8.511 8.799 1.00 50.00 H +ATOM 931 HA PHE A 56 0.072 -10.483 10.904 1.00 50.00 H +ATOM 932 1HB PHE A 56 -1.856 -8.133 11.088 1.00 50.00 H +ATOM 933 2HB PHE A 56 -1.260 -9.105 12.424 1.00 50.00 H +ATOM 934 HD1 PHE A 56 1.439 -9.310 12.442 1.00 50.00 H +ATOM 935 HD2 PHE A 56 -0.862 -6.050 10.855 1.00 50.00 H +ATOM 936 HE1 PHE A 56 3.424 -7.833 12.651 1.00 50.00 H +ATOM 937 HE2 PHE A 56 1.111 -4.547 11.109 1.00 50.00 H +ATOM 938 HZ PHE A 56 3.283 -5.464 11.907 1.00 50.00 H +ATOM 939 N SER A 57 -2.507 -10.765 9.200 1.00 50.00 N +ATOM 940 CA SER A 57 -3.646 -11.583 8.952 1.00 50.00 C +ATOM 941 C SER A 57 -3.659 -12.067 7.484 1.00 50.00 C +ATOM 942 O SER A 57 -3.205 -11.383 6.572 1.00 50.00 O +ATOM 943 CB SER A 57 -4.947 -10.821 9.283 1.00 50.00 C +ATOM 944 OG SER A 57 -5.330 -9.985 8.200 1.00 50.00 O +ATOM 945 H SER A 57 -2.144 -10.188 8.455 1.00 50.00 H +ATOM 946 HA SER A 57 -3.586 -12.463 9.594 1.00 50.00 H +ATOM 947 1HB SER A 57 -5.742 -11.535 9.497 1.00 50.00 H +ATOM 948 2HB SER A 57 -4.798 -10.219 10.178 1.00 50.00 H +ATOM 949 HG SER A 57 -4.664 -10.111 7.520 1.00 50.00 H +ATOM 950 N LEU A 58 -4.218 -13.266 7.314 1.00 50.00 N +ATOM 951 CA LEU A 58 -4.436 -13.941 6.075 1.00 50.00 C +ATOM 952 C LEU A 58 -5.301 -13.124 5.124 1.00 50.00 C +ATOM 953 O LEU A 58 -5.033 -13.006 3.920 1.00 50.00 O +ATOM 954 CB LEU A 58 -5.152 -15.256 6.423 1.00 50.00 C +ATOM 955 CG LEU A 58 -5.598 -16.085 5.253 1.00 50.00 C +ATOM 956 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 50.00 C +ATOM 957 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 50.00 C +ATOM 958 H LEU A 58 -4.504 -13.712 8.174 1.00 50.00 H +ATOM 959 HA LEU A 58 -3.469 -14.140 5.615 1.00 50.00 H +ATOM 960 1HB LEU A 58 -4.482 -15.867 7.025 1.00 50.00 H +ATOM 961 2HB LEU A 58 -6.034 -15.024 7.020 1.00 50.00 H +ATOM 962 HG LEU A 58 -6.362 -15.544 4.694 1.00 50.00 H +ATOM 963 1HD1 LEU A 58 -4.660 -16.885 3.492 1.00 50.00 H +ATOM 964 2HD1 LEU A 58 -4.011 -15.315 4.023 1.00 50.00 H +ATOM 965 3HD1 LEU A 58 -3.598 -16.798 4.917 1.00 50.00 H +ATOM 966 1HD2 LEU A 58 -6.502 -18.013 4.903 1.00 50.00 H +ATOM 967 2HD2 LEU A 58 -5.415 -17.956 6.311 1.00 50.00 H +ATOM 968 3HD2 LEU A 58 -7.030 -17.216 6.404 1.00 50.00 H +ATOM 969 N MET A 59 -6.369 -12.552 5.676 1.00 50.00 N +ATOM 970 CA MET A 59 -7.305 -11.765 4.882 1.00 50.00 C +ATOM 971 C MET A 59 -6.557 -10.573 4.229 1.00 50.00 C +ATOM 972 O MET A 59 -6.688 -10.366 3.023 1.00 50.00 O +ATOM 973 CB MET A 59 -8.519 -11.436 5.762 1.00 50.00 C +ATOM 974 CG MET A 59 -9.215 -10.126 5.500 1.00 50.00 C +ATOM 975 SD MET A 59 -11.002 -10.362 5.579 1.00 50.00 S +ATOM 976 CE MET A 59 -11.423 -8.660 5.222 1.00 50.00 C +ATOM 977 H MET A 59 -6.537 -12.664 6.666 1.00 50.00 H +ATOM 978 HA MET A 59 -7.621 -12.362 4.027 1.00 50.00 H +ATOM 979 1HB MET A 59 -9.272 -12.215 5.649 1.00 50.00 H +ATOM 980 2HB MET A 59 -8.216 -11.423 6.810 1.00 50.00 H +ATOM 981 1HG MET A 59 -8.903 -9.393 6.243 1.00 50.00 H +ATOM 982 2HG MET A 59 -8.932 -9.754 4.515 1.00 50.00 H +ATOM 983 1HE MET A 59 -12.507 -8.547 5.215 1.00 50.00 H +ATOM 984 2HE MET A 59 -10.994 -8.011 5.987 1.00 50.00 H +ATOM 985 3HE MET A 59 -11.023 -8.383 4.246 1.00 50.00 H +ATOM 986 N HIS A 60 -5.693 -9.893 5.001 1.00 50.00 N +ATOM 987 CA HIS A 60 -4.972 -8.718 4.531 1.00 50.00 C +ATOM 988 C HIS A 60 -3.841 -9.015 3.534 1.00 50.00 C +ATOM 989 O HIS A 60 -3.699 -8.288 2.535 1.00 50.00 O +ATOM 990 CB HIS A 60 -4.506 -7.899 5.717 1.00 50.00 C +ATOM 991 CG HIS A 60 -5.632 -7.186 6.398 1.00 50.00 C +ATOM 992 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 50.00 N +ATOM 993 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.00 C +ATOM 994 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 50.00 C +ATOM 995 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 50.00 N +ATOM 996 H HIS A 60 -5.543 -10.217 5.946 1.00 50.00 H +ATOM 997 HA HIS A 60 -5.636 -8.103 3.924 1.00 50.00 H +ATOM 998 1HB HIS A 60 -4.013 -8.551 6.439 1.00 50.00 H +ATOM 999 2HB HIS A 60 -3.772 -7.164 5.386 1.00 50.00 H +ATOM 1000 HD2 HIS A 60 -7.460 -7.802 5.382 1.00 50.00 H +ATOM 1001 HE1 HIS A 60 -6.807 -5.114 8.615 1.00 50.00 H +ATOM 1002 HE2 HIS A 60 -8.559 -6.194 7.112 1.00 50.00 H +ATOM 1003 N ILE A 61 -3.088 -10.101 3.754 1.00 50.00 N +ATOM 1004 CA ILE A 61 -2.111 -10.497 2.775 1.00 50.00 C +ATOM 1005 C ILE A 61 -2.778 -10.808 1.444 1.00 50.00 C +ATOM 1006 O ILE A 61 -2.316 -10.386 0.394 1.00 50.00 O +ATOM 1007 CB ILE A 61 -1.108 -11.538 3.265 1.00 50.00 C +ATOM 1008 CG1 ILE A 61 0.064 -11.626 2.259 1.00 50.00 C +ATOM 1009 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 50.00 C +ATOM 1010 CD1 ILE A 61 1.179 -12.565 2.674 1.00 50.00 C +ATOM 1011 H ILE A 61 -3.192 -10.650 4.595 1.00 50.00 H +ATOM 1012 HA ILE A 61 -1.534 -9.619 2.488 1.00 50.00 H +ATOM 1013 HB ILE A 61 -0.679 -11.212 4.212 1.00 50.00 H +ATOM 1014 1HG1 ILE A 61 -0.311 -11.958 1.292 1.00 50.00 H +ATOM 1015 2HG1 ILE A 61 0.497 -10.636 2.118 1.00 50.00 H +ATOM 1016 1HG2 ILE A 61 -0.977 -13.589 3.830 1.00 50.00 H +ATOM 1017 2HG2 ILE A 61 -2.523 -12.805 4.230 1.00 50.00 H +ATOM 1018 3HG2 ILE A 61 -2.160 -13.247 2.546 1.00 50.00 H +ATOM 1019 1HD1 ILE A 61 1.958 -12.564 1.911 1.00 50.00 H +ATOM 1020 2HD1 ILE A 61 1.600 -12.233 3.623 1.00 50.00 H +ATOM 1021 3HD1 ILE A 61 0.783 -13.573 2.786 1.00 50.00 H +ATOM 1022 N LEU A 62 -3.911 -11.487 1.485 1.00 50.00 N +ATOM 1023 CA LEU A 62 -4.603 -11.906 0.267 1.00 50.00 C +ATOM 1024 C LEU A 62 -5.144 -10.728 -0.497 1.00 50.00 C +ATOM 1025 O LEU A 62 -4.907 -10.608 -1.679 1.00 50.00 O +ATOM 1026 CB LEU A 62 -5.698 -12.922 0.562 1.00 50.00 C +ATOM 1027 CG LEU A 62 -5.184 -14.344 0.883 1.00 50.00 C +ATOM 1028 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 50.00 C +ATOM 1029 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 50.00 C +ATOM 1030 H LEU A 62 -4.309 -11.723 2.383 1.00 50.00 H +ATOM 1031 HA LEU A 62 -3.879 -12.374 -0.398 1.00 50.00 H +ATOM 1032 1HB LEU A 62 -6.280 -12.569 1.412 1.00 50.00 H +ATOM 1033 2HB LEU A 62 -6.358 -12.983 -0.303 1.00 50.00 H +ATOM 1034 HG LEU A 62 -4.359 -14.281 1.593 1.00 50.00 H +ATOM 1035 1HD1 LEU A 62 -5.873 -16.186 1.775 1.00 50.00 H +ATOM 1036 2HD1 LEU A 62 -6.570 -14.716 2.496 1.00 50.00 H +ATOM 1037 3HD1 LEU A 62 -7.130 -15.278 0.903 1.00 50.00 H +ATOM 1038 1HD2 LEU A 62 -4.334 -16.044 -0.119 1.00 50.00 H +ATOM 1039 2HD2 LEU A 62 -5.507 -15.126 -1.092 1.00 50.00 H +ATOM 1040 3HD2 LEU A 62 -3.875 -14.472 -0.816 1.00 50.00 H +ATOM 1041 N PHE A 63 -5.841 -9.823 0.185 1.00 50.00 N +ATOM 1042 CA PHE A 63 -6.357 -8.625 -0.498 1.00 50.00 C +ATOM 1043 C PHE A 63 -5.230 -7.714 -0.990 1.00 50.00 C +ATOM 1044 O PHE A 63 -5.304 -7.255 -2.120 1.00 50.00 O +ATOM 1045 CB PHE A 63 -7.397 -7.870 0.338 1.00 50.00 C +ATOM 1046 CG PHE A 63 -8.746 -8.516 0.254 1.00 50.00 C +ATOM 1047 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 50.00 C +ATOM 1048 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 50.00 C +ATOM 1049 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 50.00 C +ATOM 1050 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 50.00 C +ATOM 1051 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 50.00 C +ATOM 1052 H PHE A 63 -6.024 -9.944 1.171 1.00 50.00 H +ATOM 1053 HA PHE A 63 -6.842 -8.937 -1.424 1.00 50.00 H +ATOM 1054 1HB PHE A 63 -7.075 -7.840 1.378 1.00 50.00 H +ATOM 1055 2HB PHE A 63 -7.467 -6.841 -0.012 1.00 50.00 H +ATOM 1056 HD1 PHE A 63 -9.064 -7.894 -1.787 1.00 50.00 H +ATOM 1057 HD2 PHE A 63 -8.701 -9.365 2.227 1.00 50.00 H +ATOM 1058 HE1 PHE A 63 -11.236 -9.032 -2.026 1.00 50.00 H +ATOM 1059 HE2 PHE A 63 -10.876 -10.516 1.968 1.00 50.00 H +ATOM 1060 HZ PHE A 63 -12.135 -10.363 -0.142 1.00 50.00 H +ATOM 1061 N ASN A 64 -4.225 -7.449 -0.141 1.00 50.00 N +ATOM 1062 CA ASN A 64 -3.080 -6.580 -0.475 1.00 50.00 C +ATOM 1063 C ASN A 64 -2.411 -7.174 -1.748 1.00 50.00 C +ATOM 1064 O ASN A 64 -2.131 -6.479 -2.711 1.00 50.00 O +ATOM 1065 CB ASN A 64 -2.055 -6.409 0.697 1.00 50.00 C +ATOM 1066 CG ASN A 64 -2.584 -5.575 1.875 1.00 50.00 C +ATOM 1067 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 50.00 O +ATOM 1068 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 50.00 N +ATOM 1069 H ASN A 64 -4.269 -7.875 0.774 1.00 50.00 H +ATOM 1070 HA ASN A 64 -3.459 -5.586 -0.716 1.00 50.00 H +ATOM 1071 1HB ASN A 64 -1.771 -7.391 1.078 1.00 50.00 H +ATOM 1072 2HB ASN A 64 -1.151 -5.929 0.322 1.00 50.00 H +ATOM 1073 1HD2 ASN A 64 -4.168 -4.413 2.275 1.00 50.00 H +ATOM 1074 2HD2 ASN A 64 -4.133 -5.111 0.691 1.00 50.00 H +ATOM 1075 N LEU A 65 -2.199 -8.486 -1.777 1.00 50.00 N +ATOM 1076 CA LEU A 65 -1.493 -9.070 -2.897 1.00 50.00 C +ATOM 1077 C LEU A 65 -2.321 -9.122 -4.143 1.00 50.00 C +ATOM 1078 O LEU A 65 -1.753 -9.100 -5.238 1.00 50.00 O +ATOM 1079 CB LEU A 65 -0.838 -10.390 -2.558 1.00 50.00 C +ATOM 1080 CG LEU A 65 0.387 -10.370 -1.652 1.00 50.00 C +ATOM 1081 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 50.00 C +ATOM 1082 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 50.00 C +ATOM 1083 H LEU A 65 -2.521 -9.086 -1.031 1.00 50.00 H +ATOM 1084 HA LEU A 65 -0.705 -8.384 -3.204 1.00 50.00 H +ATOM 1085 1HB LEU A 65 -1.573 -11.027 -2.069 1.00 50.00 H +ATOM 1086 2HB LEU A 65 -0.529 -10.873 -3.485 1.00 50.00 H +ATOM 1087 HG LEU A 65 0.093 -10.060 -0.649 1.00 50.00 H +ATOM 1088 1HD1 LEU A 65 1.904 -11.660 -0.876 1.00 50.00 H +ATOM 1089 2HD1 LEU A 65 0.321 -12.437 -1.114 1.00 50.00 H +ATOM 1090 3HD1 LEU A 65 1.352 -12.068 -2.517 1.00 50.00 H +ATOM 1091 1HD2 LEU A 65 2.309 -9.499 -1.371 1.00 50.00 H +ATOM 1092 2HD2 LEU A 65 1.837 -9.726 -3.072 1.00 50.00 H +ATOM 1093 3HD2 LEU A 65 1.104 -8.419 -2.112 1.00 50.00 H +ATOM 1094 N LEU A 66 -3.648 -9.213 -3.991 1.00 50.00 N +ATOM 1095 CA LEU A 66 -4.563 -9.251 -5.117 1.00 50.00 C +ATOM 1096 C LEU A 66 -4.473 -7.920 -5.865 1.00 50.00 C +ATOM 1097 O LEU A 66 -4.302 -7.881 -7.097 1.00 50.00 O +ATOM 1098 CB LEU A 66 -6.010 -9.475 -4.619 1.00 50.00 C +ATOM 1099 CG LEU A 66 -7.058 -9.497 -5.758 1.00 50.00 C +ATOM 1100 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 50.00 C +ATOM 1101 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 50.00 C +ATOM 1102 H LEU A 66 -4.020 -9.257 -3.053 1.00 50.00 H +ATOM 1103 HA LEU A 66 -4.281 -10.081 -5.763 1.00 50.00 H +ATOM 1104 1HB LEU A 66 -6.051 -10.423 -4.085 1.00 50.00 H +ATOM 1105 2HB LEU A 66 -6.265 -8.677 -3.921 1.00 50.00 H +ATOM 1106 HG LEU A 66 -6.881 -8.658 -6.432 1.00 50.00 H +ATOM 1107 1HD1 LEU A 66 -7.619 -10.692 -7.467 1.00 50.00 H +ATOM 1108 2HD1 LEU A 66 -5.873 -10.673 -7.127 1.00 50.00 H +ATOM 1109 3HD1 LEU A 66 -6.970 -11.627 -6.099 1.00 50.00 H +ATOM 1110 1HD2 LEU A 66 -9.198 -9.405 -6.073 1.00 50.00 H +ATOM 1111 2HD2 LEU A 66 -8.714 -10.224 -4.568 1.00 50.00 H +ATOM 1112 3HD2 LEU A 66 -8.621 -8.450 -4.686 1.00 50.00 H +ATOM 1113 N TRP A 67 -4.608 -6.837 -5.103 1.00 50.00 N +ATOM 1114 CA TRP A 67 -4.509 -5.468 -5.590 1.00 50.00 C +ATOM 1115 C TRP A 67 -3.137 -5.134 -6.157 1.00 50.00 C +ATOM 1116 O TRP A 67 -3.056 -4.532 -7.203 1.00 50.00 O +ATOM 1117 CB TRP A 67 -4.807 -4.477 -4.453 1.00 50.00 C +ATOM 1118 CG TRP A 67 -6.264 -4.259 -4.169 1.00 50.00 C +ATOM 1119 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 50.00 C +ATOM 1120 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 50.00 C +ATOM 1121 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 50.00 N +ATOM 1122 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 50.00 C +ATOM 1123 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 50.00 C +ATOM 1124 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 50.00 C +ATOM 1125 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 50.00 C +ATOM 1126 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 50.00 C +ATOM 1127 H TRP A 67 -4.791 -6.999 -4.123 1.00 50.00 H +ATOM 1128 HA TRP A 67 -5.247 -5.328 -6.380 1.00 50.00 H +ATOM 1129 1HB TRP A 67 -4.341 -4.829 -3.532 1.00 50.00 H +ATOM 1130 2HB TRP A 67 -4.370 -3.508 -4.691 1.00 50.00 H +ATOM 1131 HD1 TRP A 67 -6.458 -4.892 -2.084 1.00 50.00 H +ATOM 1132 HE1 TRP A 67 -8.906 -4.153 -2.335 1.00 50.00 H +ATOM 1133 HE3 TRP A 67 -6.239 -3.244 -6.930 1.00 50.00 H +ATOM 1134 HZ2 TRP A 67 -10.571 -3.081 -4.345 1.00 50.00 H +ATOM 1135 HZ3 TRP A 67 -8.281 -2.405 -7.983 1.00 50.00 H +ATOM 1136 HH2 TRP A 67 -10.457 -2.310 -6.689 1.00 50.00 H +ATOM 1137 N TRP A 68 -2.074 -5.500 -5.420 1.00 50.00 N +ATOM 1138 CA TRP A 68 -0.684 -5.395 -5.889 1.00 50.00 C +ATOM 1139 C TRP A 68 -0.505 -6.141 -7.224 1.00 50.00 C +ATOM 1140 O TRP A 68 0.033 -5.577 -8.190 1.00 50.00 O +ATOM 1141 CB TRP A 68 0.308 -5.932 -4.838 1.00 50.00 C +ATOM 1142 CG TRP A 68 1.683 -6.181 -5.418 1.00 50.00 C +ATOM 1143 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 50.00 C +ATOM 1144 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 50.00 C +ATOM 1145 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 50.00 N +ATOM 1146 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 50.00 C +ATOM 1147 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 50.00 C +ATOM 1148 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 50.00 C +ATOM 1149 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 50.00 C +ATOM 1150 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 50.00 C +ATOM 1151 H TRP A 68 -2.255 -5.865 -4.496 1.00 50.00 H +ATOM 1152 HA TRP A 68 -0.457 -4.344 -6.065 1.00 50.00 H +ATOM 1153 1HB TRP A 68 0.394 -5.217 -4.020 1.00 50.00 H +ATOM 1154 2HB TRP A 68 -0.073 -6.863 -4.420 1.00 50.00 H +ATOM 1155 HD1 TRP A 68 1.605 -8.298 -5.958 1.00 50.00 H +ATOM 1156 HE1 TRP A 68 4.001 -7.921 -6.793 1.00 50.00 H +ATOM 1157 HE3 TRP A 68 2.015 -3.335 -4.795 1.00 50.00 H +ATOM 1158 HZ2 TRP A 68 5.838 -5.782 -7.031 1.00 50.00 H +ATOM 1159 HZ3 TRP A 68 4.170 -2.164 -5.303 1.00 50.00 H +ATOM 1160 HH2 TRP A 68 6.091 -3.416 -6.362 1.00 50.00 H +ATOM 1161 N TRP A 69 -1.001 -7.382 -7.298 1.00 50.00 N +ATOM 1162 CA TRP A 69 -0.869 -8.150 -8.513 1.00 50.00 C +ATOM 1163 C TRP A 69 -1.570 -7.446 -9.699 1.00 50.00 C +ATOM 1164 O TRP A 69 -1.030 -7.378 -10.803 1.00 50.00 O +ATOM 1165 CB TRP A 69 -1.414 -9.583 -8.302 1.00 50.00 C +ATOM 1166 CG TRP A 69 -1.372 -10.553 -9.508 1.00 50.00 C +ATOM 1167 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 50.00 C +ATOM 1168 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 50.00 C +ATOM 1169 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 50.00 N +ATOM 1170 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 50.00 C +ATOM 1171 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 50.00 C +ATOM 1172 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 50.00 C +ATOM 1173 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 50.00 C +ATOM 1174 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 50.00 C +ATOM 1175 H TRP A 69 -1.472 -7.793 -6.505 1.00 50.00 H +ATOM 1176 HA TRP A 69 0.188 -8.211 -8.770 1.00 50.00 H +ATOM 1177 1HB TRP A 69 -0.856 -10.070 -7.502 1.00 50.00 H +ATOM 1178 2HB TRP A 69 -2.457 -9.533 -7.990 1.00 50.00 H +ATOM 1179 HD1 TRP A 69 0.634 -10.268 -10.296 1.00 50.00 H +ATOM 1180 HE1 TRP A 69 -0.050 -12.042 -12.032 1.00 50.00 H +ATOM 1181 HE3 TRP A 69 -4.103 -11.190 -8.595 1.00 50.00 H +ATOM 1182 HZ2 TRP A 69 -2.309 -13.633 -12.610 1.00 50.00 H +ATOM 1183 HZ3 TRP A 69 -5.472 -12.904 -9.771 1.00 50.00 H +ATOM 1184 HH2 TRP A 69 -4.573 -14.096 -11.781 1.00 50.00 H +ATOM 1185 N TYR A 70 -2.786 -6.954 -9.458 1.00 50.00 N +ATOM 1186 CA TYR A 70 -3.540 -6.270 -10.506 1.00 50.00 C +ATOM 1187 C TYR A 70 -2.980 -4.895 -10.900 1.00 50.00 C +ATOM 1188 O TYR A 70 -2.765 -4.616 -12.073 1.00 50.00 O +ATOM 1189 CB TYR A 70 -5.022 -6.132 -10.117 1.00 50.00 C +ATOM 1190 CG TYR A 70 -5.914 -5.689 -11.251 1.00 50.00 C +ATOM 1191 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 50.00 C +ATOM 1192 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 50.00 C +ATOM 1193 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 50.00 C +ATOM 1194 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 50.00 C +ATOM 1195 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 50.00 C +ATOM 1196 OH TYR A 70 -8.329 -4.339 -14.391 1.00 50.00 O +ATOM 1197 H TYR A 70 -3.197 -7.052 -8.541 1.00 50.00 H +ATOM 1198 HA TYR A 70 -3.477 -6.862 -11.420 1.00 50.00 H +ATOM 1199 1HB TYR A 70 -5.392 -7.090 -9.748 1.00 50.00 H +ATOM 1200 2HB TYR A 70 -5.120 -5.410 -9.307 1.00 50.00 H +ATOM 1201 HD1 TYR A 70 -5.895 -7.581 -12.282 1.00 50.00 H +ATOM 1202 HD2 TYR A 70 -6.120 -3.681 -10.522 1.00 50.00 H +ATOM 1203 HE1 TYR A 70 -7.319 -6.825 -14.148 1.00 50.00 H +ATOM 1204 HE2 TYR A 70 -7.497 -2.907 -12.404 1.00 50.00 H +ATOM 1205 HH TYR A 70 -8.540 -3.417 -14.223 1.00 50.00 H +ATOM 1206 N LEU A 71 -2.780 -4.013 -9.924 1.00 50.00 N +ATOM 1207 CA LEU A 71 -2.413 -2.653 -10.235 1.00 50.00 C +ATOM 1208 C LEU A 71 -0.921 -2.582 -10.456 1.00 50.00 C +ATOM 1209 O LEU A 71 -0.467 -2.045 -11.473 1.00 50.00 O +ATOM 1210 CB LEU A 71 -2.797 -1.705 -9.122 1.00 50.00 C +ATOM 1211 CG LEU A 71 -4.264 -1.587 -8.739 1.00 50.00 C +ATOM 1212 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 50.00 C +ATOM 1213 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 50.00 C +ATOM 1214 H LEU A 71 -2.883 -4.286 -8.957 1.00 50.00 H +ATOM 1215 HA LEU A 71 -2.944 -2.349 -11.137 1.00 50.00 H +ATOM 1216 1HB LEU A 71 -2.270 -2.001 -8.216 1.00 50.00 H +ATOM 1217 2HB LEU A 71 -2.473 -0.700 -9.394 1.00 50.00 H +ATOM 1218 HG LEU A 71 -4.650 -2.571 -8.470 1.00 50.00 H +ATOM 1219 1HD1 LEU A 71 -5.429 -0.535 -7.314 1.00 50.00 H +ATOM 1220 2HD1 LEU A 71 -3.806 -1.002 -6.753 1.00 50.00 H +ATOM 1221 3HD1 LEU A 71 -3.998 0.343 -7.903 1.00 50.00 H +ATOM 1222 1HD2 LEU A 71 -6.131 -0.969 -9.587 1.00 50.00 H +ATOM 1223 2HD2 LEU A 71 -4.718 -0.053 -10.163 1.00 50.00 H +ATOM 1224 3HD2 LEU A 71 -5.002 -1.711 -10.746 1.00 50.00 H +ATOM 1225 N GLY A 72 -0.167 -3.153 -9.507 1.00 50.00 N +ATOM 1226 CA GLY A 72 1.261 -3.414 -9.673 1.00 50.00 C +ATOM 1227 C GLY A 72 1.555 -3.968 -11.044 1.00 50.00 C +ATOM 1228 O GLY A 72 2.327 -3.414 -11.753 1.00 50.00 O +ATOM 1229 H GLY A 72 -0.617 -3.411 -8.640 1.00 50.00 H +ATOM 1230 1HA GLY A 72 1.820 -2.490 -9.521 1.00 50.00 H +ATOM 1231 2HA GLY A 72 1.593 -4.119 -8.912 1.00 50.00 H +ATOM 1232 N GLY A 73 0.899 -5.063 -11.424 1.00 50.00 N +ATOM 1233 CA GLY A 73 1.183 -5.747 -12.682 1.00 50.00 C +ATOM 1234 C GLY A 73 0.863 -4.909 -13.921 1.00 50.00 C +ATOM 1235 O GLY A 73 1.577 -4.934 -14.938 1.00 50.00 O +ATOM 1236 H GLY A 73 0.180 -5.429 -10.816 1.00 50.00 H +ATOM 1237 1HA GLY A 73 2.237 -6.024 -12.716 1.00 50.00 H +ATOM 1238 2HA GLY A 73 0.607 -6.670 -12.732 1.00 50.00 H +ATOM 1239 N ALA A 74 -0.223 -4.141 -13.839 1.00 50.00 N +ATOM 1240 CA ALA A 74 -0.575 -3.209 -14.906 1.00 50.00 C +ATOM 1241 C ALA A 74 0.552 -2.153 -15.061 1.00 50.00 C +ATOM 1242 O ALA A 74 1.084 -1.951 -16.130 1.00 50.00 O +ATOM 1243 CB ALA A 74 -1.916 -2.541 -14.594 1.00 50.00 C +ATOM 1244 H ALA A 74 -0.816 -4.203 -13.024 1.00 50.00 H +ATOM 1245 HA ALA A 74 -0.665 -3.775 -15.834 1.00 50.00 H +ATOM 1246 1HB ALA A 74 -2.172 -1.847 -15.395 1.00 50.00 H +ATOM 1247 2HB ALA A 74 -2.692 -3.303 -14.512 1.00 50.00 H +ATOM 1248 3HB ALA A 74 -1.841 -1.998 -13.653 1.00 50.00 H +ATOM 1249 N VAL A 75 0.937 -1.525 -13.955 1.00 0.00 N +ATOM 1250 CA VAL A 75 1.968 -0.521 -14.014 1.00 0.00 C +ATOM 1251 C VAL A 75 3.241 -1.045 -14.673 1.00 0.00 C +ATOM 1252 O VAL A 75 3.751 -0.428 -15.568 1.00 0.00 O +ATOM 1253 CB VAL A 75 2.252 0.101 -12.645 1.00 0.00 C +ATOM 1254 CG1 VAL A 75 3.484 1.001 -12.706 1.00 0.00 C +ATOM 1255 CG2 VAL A 75 1.047 0.905 -12.207 1.00 0.00 C +ATOM 1256 H VAL A 75 0.513 -1.743 -13.065 1.00 0.00 H +ATOM 1257 HA VAL A 75 1.636 0.277 -14.679 1.00 0.00 H +ATOM 1258 HB VAL A 75 2.447 -0.696 -11.927 1.00 0.00 H +ATOM 1259 1HG1 VAL A 75 3.668 1.433 -11.722 1.00 0.00 H +ATOM 1260 2HG1 VAL A 75 4.349 0.413 -13.011 1.00 0.00 H +ATOM 1261 3HG1 VAL A 75 3.315 1.801 -13.426 1.00 0.00 H +ATOM 1262 1HG2 VAL A 75 1.242 1.351 -11.232 1.00 0.00 H +ATOM 1263 2HG2 VAL A 75 0.852 1.693 -12.934 1.00 0.00 H +ATOM 1264 3HG2 VAL A 75 0.178 0.250 -12.139 1.00 0.00 H +ATOM 1265 N GLU A 76 3.756 -2.172 -14.204 1.00 50.00 N +ATOM 1266 CA GLU A 76 4.966 -2.780 -14.764 1.00 50.00 C +ATOM 1267 C GLU A 76 4.819 -3.061 -16.229 1.00 50.00 C +ATOM 1268 O GLU A 76 5.722 -2.745 -17.009 1.00 50.00 O +ATOM 1269 CB GLU A 76 5.337 -4.079 -14.036 1.00 50.00 C +ATOM 1270 CG GLU A 76 6.632 -4.773 -14.469 1.00 50.00 C +ATOM 1271 CD GLU A 76 7.185 -5.644 -13.353 1.00 50.00 C +ATOM 1272 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 50.00 O +ATOM 1273 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 50.00 O +ATOM 1274 H GLU A 76 3.291 -2.624 -13.430 1.00 50.00 H +ATOM 1275 HA GLU A 76 5.792 -2.078 -14.646 1.00 50.00 H +ATOM 1276 1HB GLU A 76 5.434 -3.883 -12.968 1.00 50.00 H +ATOM 1277 2HB GLU A 76 4.537 -4.809 -14.164 1.00 50.00 H +ATOM 1278 1HG GLU A 76 6.428 -5.385 -15.347 1.00 50.00 H +ATOM 1279 2HG GLU A 76 7.362 -4.015 -14.750 1.00 50.00 H +ATOM 1280 N LYS A 77 3.690 -3.654 -16.619 1.00 0.00 N +ATOM 1281 CA LYS A 77 3.480 -4.008 -18.008 1.00 0.00 C +ATOM 1282 C LYS A 77 3.437 -2.774 -18.907 1.00 0.00 C +ATOM 1283 O LYS A 77 4.030 -2.773 -19.957 1.00 0.00 O +ATOM 1284 CB LYS A 77 2.196 -4.841 -18.189 1.00 0.00 C +ATOM 1285 CG LYS A 77 2.086 -5.643 -19.492 1.00 0.00 C +ATOM 1286 CD LYS A 77 3.211 -6.686 -19.720 1.00 0.00 C +ATOM 1287 CE LYS A 77 3.499 -7.653 -18.543 1.00 0.00 C +ATOM 1288 NZ LYS A 77 4.758 -7.393 -17.739 1.00 0.00 N +ATOM 1289 H LYS A 77 2.968 -3.862 -15.944 1.00 0.00 H +ATOM 1290 HA LYS A 77 4.326 -4.609 -18.344 1.00 0.00 H +ATOM 1291 1HB LYS A 77 2.107 -5.555 -17.369 1.00 0.00 H +ATOM 1292 2HB LYS A 77 1.327 -4.184 -18.147 1.00 0.00 H +ATOM 1293 1HG LYS A 77 1.140 -6.186 -19.507 1.00 0.00 H +ATOM 1294 2HG LYS A 77 2.106 -4.961 -20.342 1.00 0.00 H +ATOM 1295 1HD LYS A 77 2.960 -7.311 -20.578 1.00 0.00 H +ATOM 1296 2HD LYS A 77 4.148 -6.170 -19.930 1.00 0.00 H +ATOM 1297 1HE LYS A 77 2.672 -7.620 -17.835 1.00 0.00 H +ATOM 1298 2HE LYS A 77 3.584 -8.672 -18.921 1.00 0.00 H +ATOM 1299 1HZ LYS A 77 4.838 -8.083 -17.005 1.00 0.00 H +ATOM 1300 2HZ LYS A 77 5.564 -7.452 -18.346 1.00 0.00 H +ATOM 1301 3HZ LYS A 77 4.712 -6.471 -17.330 1.00 0.00 H +ATOM 1302 N ARG A 78 2.723 -1.724 -18.505 1.00 0.00 N +ATOM 1303 CA ARG A 78 2.514 -0.619 -19.436 1.00 0.00 C +ATOM 1304 C ARG A 78 3.598 0.461 -19.350 1.00 0.00 C +ATOM 1305 O ARG A 78 3.911 1.074 -20.358 1.00 0.00 O +ATOM 1306 CB ARG A 78 1.118 -0.004 -19.323 1.00 0.00 C +ATOM 1307 CG ARG A 78 -0.024 -0.962 -18.987 1.00 0.00 C +ATOM 1308 CD ARG A 78 -0.719 -1.698 -20.137 1.00 0.00 C +ATOM 1309 NE ARG A 78 -1.293 -2.982 -19.645 1.00 0.00 N +ATOM 1310 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 0.00 C +ATOM 1311 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 0.00 N +ATOM 1312 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 0.00 N +ATOM 1313 H ARG A 78 2.323 -1.669 -17.579 1.00 0.00 H +ATOM 1314 HA ARG A 78 2.624 -0.998 -20.453 1.00 0.00 H +ATOM 1315 1HB ARG A 78 1.121 0.764 -18.551 1.00 0.00 H +ATOM 1316 2HB ARG A 78 0.856 0.479 -20.264 1.00 0.00 H +ATOM 1317 1HG ARG A 78 0.344 -1.752 -18.332 1.00 0.00 H +ATOM 1318 2HG ARG A 78 -0.822 -0.415 -18.483 1.00 0.00 H +ATOM 1319 1HD ARG A 78 -1.520 -1.076 -20.535 1.00 0.00 H +ATOM 1320 2HD ARG A 78 0.004 -1.907 -20.925 1.00 0.00 H +ATOM 1321 HE ARG A 78 -0.853 -3.841 -19.948 1.00 0.00 H +ATOM 1322 1HH1 ARG A 78 -2.774 -1.144 -18.644 1.00 0.00 H +ATOM 1323 2HH1 ARG A 78 -3.833 -2.219 -17.760 1.00 0.00 H +ATOM 1324 1HH2 ARG A 78 -2.228 -5.164 -18.765 1.00 0.00 H +ATOM 1325 2HH2 ARG A 78 -3.528 -4.463 -17.828 1.00 0.00 H +ATOM 1326 N LEU A 79 4.149 0.681 -18.148 1.00 0.00 N +ATOM 1327 CA LEU A 79 5.096 1.764 -17.836 1.00 0.00 C +ATOM 1328 C LEU A 79 6.501 1.265 -17.501 1.00 0.00 C +ATOM 1329 O LEU A 79 7.452 2.044 -17.471 1.00 0.00 O +ATOM 1330 CB LEU A 79 4.569 2.617 -16.657 1.00 0.00 C +ATOM 1331 CG LEU A 79 3.120 3.071 -16.820 1.00 0.00 C +ATOM 1332 CD1 LEU A 79 2.574 3.988 -15.717 1.00 0.00 C +ATOM 1333 CD2 LEU A 79 3.013 3.776 -18.170 1.00 0.00 C +ATOM 1334 H LEU A 79 3.877 0.040 -17.417 1.00 0.00 H +ATOM 1335 HA LEU A 79 5.192 2.402 -18.713 1.00 0.00 H +ATOM 1336 1HB LEU A 79 4.649 2.032 -15.742 1.00 0.00 H +ATOM 1337 2HB LEU A 79 5.201 3.499 -16.556 1.00 0.00 H +ATOM 1338 HG LEU A 79 2.461 2.203 -16.789 1.00 0.00 H +ATOM 1339 1HD1 LEU A 79 1.538 4.246 -15.938 1.00 0.00 H +ATOM 1340 2HD1 LEU A 79 2.622 3.472 -14.758 1.00 0.00 H +ATOM 1341 3HD1 LEU A 79 3.172 4.897 -15.671 1.00 0.00 H +ATOM 1342 1HD2 LEU A 79 1.988 4.115 -18.323 1.00 0.00 H +ATOM 1343 2HD2 LEU A 79 3.686 4.634 -18.187 1.00 0.00 H +ATOM 1344 3HD2 LEU A 79 3.289 3.083 -18.965 1.00 0.00 H +ATOM 1345 N GLY A 80 6.649 -0.029 -17.226 1.00 0.00 N +ATOM 1346 CA GLY A 80 7.936 -0.594 -16.899 1.00 0.00 C +ATOM 1347 C GLY A 80 8.149 -0.945 -15.420 1.00 0.00 C +ATOM 1348 O GLY A 80 7.558 -0.357 -14.517 1.00 0.00 O +ATOM 1349 H GLY A 80 5.838 -0.631 -17.247 1.00 0.00 H +ATOM 1350 1HA GLY A 80 8.090 -1.506 -17.476 1.00 0.00 H +ATOM 1351 2HA GLY A 80 8.723 0.103 -17.185 1.00 0.00 H +ATOM 1352 N SER A 81 9.084 -1.876 -15.218 1.00 50.00 N +ATOM 1353 CA SER A 81 9.610 -2.278 -13.960 1.00 50.00 C +ATOM 1354 C SER A 81 10.106 -1.141 -13.084 1.00 50.00 C +ATOM 1355 O SER A 81 9.786 -1.094 -11.849 1.00 50.00 O +ATOM 1356 CB SER A 81 10.738 -3.281 -14.214 1.00 50.00 C +ATOM 1357 OG SER A 81 10.175 -4.509 -14.616 1.00 50.00 O +ATOM 1358 H SER A 81 9.429 -2.317 -16.059 1.00 50.00 H +ATOM 1359 HA SER A 81 8.813 -2.756 -13.388 1.00 50.00 H +ATOM 1360 1HB SER A 81 11.404 -2.892 -14.984 1.00 50.00 H +ATOM 1361 2HB SER A 81 11.325 -3.405 -13.305 1.00 50.00 H +ATOM 1362 HG SER A 81 9.224 -4.376 -14.620 1.00 50.00 H +ATOM 1363 N GLY A 82 10.856 -0.221 -13.693 1.00 50.00 N +ATOM 1364 CA GLY A 82 11.415 0.917 -12.984 1.00 50.00 C +ATOM 1365 C GLY A 82 10.372 1.795 -12.292 1.00 50.00 C +ATOM 1366 O GLY A 82 10.554 2.254 -11.157 1.00 50.00 O +ATOM 1367 H GLY A 82 11.039 -0.323 -14.681 1.00 50.00 H +ATOM 1368 1HA GLY A 82 12.119 0.566 -12.229 1.00 50.00 H +ATOM 1369 2HA GLY A 82 11.975 1.540 -13.680 1.00 50.00 H +ATOM 1370 N LYS A 83 9.278 2.055 -13.004 1.00 50.00 N +ATOM 1371 CA LYS A 83 8.226 2.884 -12.535 1.00 50.00 C +ATOM 1372 C LYS A 83 7.602 2.218 -11.293 1.00 50.00 C +ATOM 1373 O LYS A 83 7.356 2.866 -10.289 1.00 50.00 O +ATOM 1374 CB LYS A 83 7.191 3.021 -13.651 1.00 50.00 C +ATOM 1375 CG LYS A 83 5.988 3.878 -13.250 1.00 50.00 C +ATOM 1376 CD LYS A 83 6.355 5.312 -12.950 1.00 50.00 C +ATOM 1377 CE LYS A 83 6.635 6.065 -14.247 1.00 50.00 C +ATOM 1378 NZ LYS A 83 6.858 7.468 -13.855 1.00 50.00 N +ATOM 1379 H LYS A 83 9.204 1.637 -13.920 1.00 50.00 H +ATOM 1380 HA LYS A 83 8.639 3.864 -12.294 1.00 50.00 H +ATOM 1381 1HB LYS A 83 7.659 3.468 -14.529 1.00 50.00 H +ATOM 1382 2HB LYS A 83 6.833 2.032 -13.939 1.00 50.00 H +ATOM 1383 1HG LYS A 83 5.256 3.879 -14.058 1.00 50.00 H +ATOM 1384 2HG LYS A 83 5.521 3.456 -12.361 1.00 50.00 H +ATOM 1385 1HD LYS A 83 5.535 5.794 -12.416 1.00 50.00 H +ATOM 1386 2HD LYS A 83 7.241 5.336 -12.316 1.00 50.00 H +ATOM 1387 1HE LYS A 83 7.508 5.635 -14.735 1.00 50.00 H +ATOM 1388 2HE LYS A 83 5.783 5.962 -14.919 1.00 50.00 H +ATOM 1389 1HZ LYS A 83 7.050 8.022 -14.678 1.00 50.00 H +ATOM 1390 2HZ LYS A 83 6.033 7.825 -13.394 1.00 50.00 H +ATOM 1391 3HZ LYS A 83 7.645 7.521 -13.224 1.00 50.00 H +ATOM 1392 N LEU A 84 7.378 0.901 -11.364 1.00 50.00 N +ATOM 1393 CA LEU A 84 6.795 0.167 -10.239 1.00 50.00 C +ATOM 1394 C LEU A 84 7.734 0.212 -9.052 1.00 50.00 C +ATOM 1395 O LEU A 84 7.288 0.418 -7.942 1.00 50.00 O +ATOM 1396 CB LEU A 84 6.500 -1.289 -10.587 1.00 50.00 C +ATOM 1397 CG LEU A 84 5.770 -2.089 -9.484 1.00 50.00 C +ATOM 1398 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 50.00 C +ATOM 1399 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 50.00 C +ATOM 1400 H LEU A 84 7.614 0.400 -12.209 1.00 50.00 H +ATOM 1401 HA LEU A 84 5.852 0.641 -9.968 1.00 50.00 H +ATOM 1402 1HB LEU A 84 5.885 -1.314 -11.485 1.00 50.00 H +ATOM 1403 2HB LEU A 84 7.442 -1.793 -10.803 1.00 50.00 H +ATOM 1404 HG LEU A 84 6.429 -2.208 -8.624 1.00 50.00 H +ATOM 1405 1HD1 LEU A 84 4.070 -1.954 -8.194 1.00 50.00 H +ATOM 1406 2HD1 LEU A 84 4.856 -0.398 -8.548 1.00 50.00 H +ATOM 1407 3HD1 LEU A 84 3.854 -1.191 -9.787 1.00 50.00 H +ATOM 1408 1HD2 LEU A 84 4.857 -4.018 -9.192 1.00 50.00 H +ATOM 1409 2HD2 LEU A 84 4.700 -3.372 -10.844 1.00 50.00 H +ATOM 1410 3HD2 LEU A 84 6.260 -4.026 -10.288 1.00 50.00 H +ATOM 1411 N ILE A 85 9.040 0.020 -9.313 1.00 50.00 N +ATOM 1412 CA ILE A 85 10.052 0.154 -8.261 1.00 50.00 C +ATOM 1413 C ILE A 85 9.995 1.480 -7.489 1.00 50.00 C +ATOM 1414 O ILE A 85 9.971 1.471 -6.252 1.00 50.00 O +ATOM 1415 CB ILE A 85 11.462 -0.097 -8.811 1.00 50.00 C +ATOM 1416 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 50.00 C +ATOM 1417 CG2 ILE A 85 12.559 0.372 -7.830 1.00 50.00 C +ATOM 1418 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 50.00 C +ATOM 1419 H ILE A 85 9.333 -0.221 -10.249 1.00 50.00 H +ATOM 1420 HA ILE A 85 9.849 -0.588 -7.490 1.00 50.00 H +ATOM 1421 HB ILE A 85 11.589 0.446 -9.747 1.00 50.00 H +ATOM 1422 1HG1 ILE A 85 11.755 -2.134 -8.155 1.00 50.00 H +ATOM 1423 2HG1 ILE A 85 10.720 -1.980 -9.567 1.00 50.00 H +ATOM 1424 1HG2 ILE A 85 13.540 0.174 -8.260 1.00 50.00 H +ATOM 1425 2HG2 ILE A 85 12.451 1.440 -7.648 1.00 50.00 H +ATOM 1426 3HG2 ILE A 85 12.460 -0.168 -6.888 1.00 50.00 H +ATOM 1427 1HD1 ILE A 85 12.861 -2.997 -10.155 1.00 50.00 H +ATOM 1428 2HD1 ILE A 85 12.679 -1.419 -10.957 1.00 50.00 H +ATOM 1429 3HD1 ILE A 85 13.727 -1.576 -9.527 1.00 50.00 H +ATOM 1430 N VAL A 86 9.961 2.605 -8.208 1.00 50.00 N +ATOM 1431 CA VAL A 86 10.009 3.909 -7.558 1.00 50.00 C +ATOM 1432 C VAL A 86 8.719 4.231 -6.824 1.00 50.00 C +ATOM 1433 O VAL A 86 8.755 4.711 -5.708 1.00 50.00 O +ATOM 1434 CB VAL A 86 10.276 5.038 -8.597 1.00 50.00 C +ATOM 1435 CG1 VAL A 86 10.617 6.361 -7.906 1.00 50.00 C +ATOM 1436 CG2 VAL A 86 11.345 4.617 -9.595 1.00 50.00 C +ATOM 1437 H VAL A 86 9.901 2.559 -9.215 1.00 50.00 H +ATOM 1438 HA VAL A 86 10.825 3.905 -6.835 1.00 50.00 H +ATOM 1439 HB VAL A 86 9.352 5.250 -9.135 1.00 50.00 H +ATOM 1440 1HG1 VAL A 86 10.798 7.129 -8.659 1.00 50.00 H +ATOM 1441 2HG1 VAL A 86 9.785 6.665 -7.271 1.00 50.00 H +ATOM 1442 3HG1 VAL A 86 11.512 6.233 -7.297 1.00 50.00 H +ATOM 1443 1HG2 VAL A 86 11.512 5.422 -10.310 1.00 50.00 H +ATOM 1444 2HG2 VAL A 86 12.273 4.403 -9.065 1.00 50.00 H +ATOM 1445 3HG2 VAL A 86 11.016 3.723 -10.126 1.00 50.00 H +ATOM 1446 N ILE A 87 7.568 3.959 -7.452 1.00 0.00 N +ATOM 1447 CA ILE A 87 6.301 4.050 -6.723 1.00 0.00 C +ATOM 1448 C ILE A 87 6.347 3.286 -5.395 1.00 0.00 C +ATOM 1449 O ILE A 87 6.035 3.790 -4.315 1.00 0.00 O +ATOM 1450 CB ILE A 87 5.153 3.547 -7.559 1.00 0.00 C +ATOM 1451 CG1 ILE A 87 4.917 4.503 -8.700 1.00 0.00 C +ATOM 1452 CG2 ILE A 87 3.886 3.410 -6.707 1.00 0.00 C +ATOM 1453 CD1 ILE A 87 3.870 3.984 -9.679 1.00 0.00 C +ATOM 1454 H ILE A 87 7.557 3.690 -8.426 1.00 0.00 H +ATOM 1455 HA ILE A 87 6.115 5.096 -6.482 1.00 0.00 H +ATOM 1456 HB ILE A 87 5.406 2.572 -7.975 1.00 0.00 H +ATOM 1457 1HG1 ILE A 87 4.592 5.465 -8.307 1.00 0.00 H +ATOM 1458 2HG1 ILE A 87 5.852 4.669 -9.235 1.00 0.00 H +ATOM 1459 1HG2 ILE A 87 3.068 3.046 -7.328 1.00 0.00 H +ATOM 1460 2HG2 ILE A 87 4.067 2.705 -5.897 1.00 0.00 H +ATOM 1461 3HG2 ILE A 87 3.621 4.382 -6.290 1.00 0.00 H +ATOM 1462 1HD1 ILE A 87 3.735 4.707 -10.484 1.00 0.00 H +ATOM 1463 2HD1 ILE A 87 4.202 3.033 -10.097 1.00 0.00 H +ATOM 1464 3HD1 ILE A 87 2.924 3.841 -9.158 1.00 0.00 H +ATOM 1465 N THR A 88 6.822 2.059 -5.482 1.00 50.00 N +ATOM 1466 CA THR A 88 6.922 1.186 -4.321 1.00 50.00 C +ATOM 1467 C THR A 88 7.886 1.747 -3.275 1.00 50.00 C +ATOM 1468 O THR A 88 7.535 1.757 -2.122 1.00 50.00 O +ATOM 1469 CB THR A 88 7.357 -0.224 -4.730 1.00 50.00 C +ATOM 1470 OG1 THR A 88 6.422 -0.762 -5.652 1.00 50.00 O +ATOM 1471 CG2 THR A 88 7.452 -1.156 -3.491 1.00 50.00 C +ATOM 1472 H THR A 88 7.125 1.717 -6.383 1.00 50.00 H +ATOM 1473 HA THR A 88 5.940 1.120 -3.852 1.00 50.00 H +ATOM 1474 HB THR A 88 8.332 -0.178 -5.214 1.00 50.00 H +ATOM 1475 HG1 THR A 88 5.726 -0.120 -5.812 1.00 50.00 H +ATOM 1476 1HG2 THR A 88 7.763 -2.151 -3.808 1.00 50.00 H +ATOM 1477 2HG2 THR A 88 8.182 -0.754 -2.788 1.00 50.00 H +ATOM 1478 3HG2 THR A 88 6.478 -1.218 -3.007 1.00 50.00 H +ATOM 1479 N LEU A 89 9.103 2.178 -3.682 1.00 50.00 N +ATOM 1480 CA LEU A 89 10.076 2.716 -2.711 1.00 50.00 C +ATOM 1481 C LEU A 89 9.571 3.945 -1.995 1.00 50.00 C +ATOM 1482 O LEU A 89 9.786 4.104 -0.784 1.00 50.00 O +ATOM 1483 CB LEU A 89 11.431 3.055 -3.334 1.00 50.00 C +ATOM 1484 CG LEU A 89 12.201 1.847 -3.879 1.00 50.00 C +ATOM 1485 CD1 LEU A 89 13.495 2.314 -4.517 1.00 50.00 C +ATOM 1486 CD2 LEU A 89 12.478 0.780 -2.813 1.00 50.00 C +ATOM 1487 H LEU A 89 9.356 2.134 -4.659 1.00 50.00 H +ATOM 1488 HA LEU A 89 10.253 1.962 -1.945 1.00 50.00 H +ATOM 1489 1HB LEU A 89 11.272 3.756 -4.151 1.00 50.00 H +ATOM 1490 2HB LEU A 89 12.048 3.543 -2.580 1.00 50.00 H +ATOM 1491 HG LEU A 89 11.623 1.376 -4.675 1.00 50.00 H +ATOM 1492 1HD1 LEU A 89 14.041 1.454 -4.904 1.00 50.00 H +ATOM 1493 2HD1 LEU A 89 13.271 2.999 -5.335 1.00 50.00 H +ATOM 1494 3HD1 LEU A 89 14.104 2.825 -3.772 1.00 50.00 H +ATOM 1495 1HD2 LEU A 89 13.025 -0.050 -3.262 1.00 50.00 H +ATOM 1496 2HD2 LEU A 89 13.073 1.214 -2.009 1.00 50.00 H +ATOM 1497 3HD2 LEU A 89 11.533 0.415 -2.409 1.00 50.00 H +ATOM 1498 N ILE A 90 8.956 4.853 -2.758 1.00 50.00 N +ATOM 1499 CA ILE A 90 8.586 6.157 -2.274 1.00 50.00 C +ATOM 1500 C ILE A 90 7.365 5.962 -1.377 1.00 50.00 C +ATOM 1501 O ILE A 90 7.276 6.526 -0.309 1.00 50.00 O +ATOM 1502 CB ILE A 90 8.273 7.139 -3.453 1.00 50.00 C +ATOM 1503 CG1 ILE A 90 9.542 7.497 -4.241 1.00 50.00 C +ATOM 1504 CG2 ILE A 90 7.712 8.439 -2.883 1.00 50.00 C +ATOM 1505 CD1 ILE A 90 9.295 8.447 -5.431 1.00 50.00 C +ATOM 1506 H ILE A 90 8.746 4.605 -3.714 1.00 50.00 H +ATOM 1507 HA ILE A 90 9.421 6.564 -1.706 1.00 50.00 H +ATOM 1508 HB ILE A 90 7.541 6.685 -4.120 1.00 50.00 H +ATOM 1509 1HG1 ILE A 90 10.263 7.968 -3.574 1.00 50.00 H +ATOM 1510 2HG1 ILE A 90 10.001 6.586 -4.626 1.00 50.00 H +ATOM 1511 1HG2 ILE A 90 7.492 9.128 -3.698 1.00 50.00 H +ATOM 1512 2HG2 ILE A 90 6.798 8.229 -2.329 1.00 50.00 H +ATOM 1513 3HG2 ILE A 90 8.446 8.890 -2.214 1.00 50.00 H +ATOM 1514 1HD1 ILE A 90 10.240 8.651 -5.936 1.00 50.00 H +ATOM 1515 2HD1 ILE A 90 8.602 7.980 -6.132 1.00 50.00 H +ATOM 1516 3HD1 ILE A 90 8.869 9.381 -5.068 1.00 50.00 H +ATOM 1517 N SER A 91 6.402 5.187 -1.852 1.00 0.00 N +ATOM 1518 CA SER A 91 5.208 4.935 -1.044 1.00 0.00 C +ATOM 1519 C SER A 91 5.547 4.204 0.290 1.00 0.00 C +ATOM 1520 O SER A 91 5.039 4.591 1.340 1.00 0.00 O +ATOM 1521 CB SER A 91 4.110 4.212 -1.827 1.00 0.00 C +ATOM 1522 OG SER A 91 4.491 2.930 -2.196 1.00 0.00 O +ATOM 1523 H SER A 91 6.476 4.764 -2.766 1.00 0.00 H +ATOM 1524 HA SER A 91 4.803 5.894 -0.716 1.00 0.00 H +ATOM 1525 1HB SER A 91 3.207 4.155 -1.219 1.00 0.00 H +ATOM 1526 2HB SER A 91 3.866 4.783 -2.722 1.00 0.00 H +ATOM 1527 HG SER A 91 5.381 2.810 -1.856 1.00 0.00 H +ATOM 1528 N ALA A 92 6.430 3.205 0.228 1.00 50.00 N +ATOM 1529 CA ALA A 92 6.840 2.475 1.432 1.00 50.00 C +ATOM 1530 C ALA A 92 7.502 3.372 2.431 1.00 50.00 C +ATOM 1531 O ALA A 92 7.243 3.299 3.607 1.00 50.00 O +ATOM 1532 CB ALA A 92 7.735 1.288 1.123 1.00 50.00 C +ATOM 1533 H ALA A 92 6.825 2.944 -0.664 1.00 50.00 H +ATOM 1534 HA ALA A 92 5.942 2.096 1.920 1.00 50.00 H +ATOM 1535 1HB ALA A 92 8.007 0.786 2.052 1.00 50.00 H +ATOM 1536 2HB ALA A 92 7.204 0.590 0.475 1.00 50.00 H +ATOM 1537 3HB ALA A 92 8.637 1.634 0.620 1.00 50.00 H +ATOM 1538 N LEU A 93 8.399 4.234 1.958 1.00 50.00 N +ATOM 1539 CA LEU A 93 9.170 5.085 2.841 1.00 50.00 C +ATOM 1540 C LEU A 93 8.297 6.157 3.469 1.00 50.00 C +ATOM 1541 O LEU A 93 8.377 6.406 4.685 1.00 50.00 O +ATOM 1542 CB LEU A 93 10.253 5.742 2.020 1.00 50.00 C +ATOM 1543 CG LEU A 93 11.255 6.538 2.751 1.00 50.00 C +ATOM 1544 CD1 LEU A 93 12.007 5.714 3.787 1.00 50.00 C +ATOM 1545 CD2 LEU A 93 12.182 7.127 1.678 1.00 50.00 C +ATOM 1546 H LEU A 93 8.547 4.297 0.961 1.00 50.00 H +ATOM 1547 HA LEU A 93 9.617 4.464 3.616 1.00 50.00 H +ATOM 1548 1HB LEU A 93 10.794 4.969 1.477 1.00 50.00 H +ATOM 1549 2HB LEU A 93 9.784 6.407 1.294 1.00 50.00 H +ATOM 1550 HG LEU A 93 10.754 7.324 3.316 1.00 50.00 H +ATOM 1551 1HD1 LEU A 93 12.733 6.347 4.298 1.00 50.00 H +ATOM 1552 2HD1 LEU A 93 11.301 5.313 4.515 1.00 50.00 H +ATOM 1553 3HD1 LEU A 93 12.526 4.894 3.292 1.00 50.00 H +ATOM 1554 1HD2 LEU A 93 12.953 7.733 2.156 1.00 50.00 H +ATOM 1555 2HD2 LEU A 93 12.652 6.318 1.119 1.00 50.00 H +ATOM 1556 3HD2 LEU A 93 11.601 7.749 0.997 1.00 50.00 H +ATOM 1557 N LEU A 94 7.495 6.824 2.628 1.00 50.00 N +ATOM 1558 CA LEU A 94 6.707 7.958 3.091 1.00 50.00 C +ATOM 1559 C LEU A 94 5.571 7.467 3.996 1.00 50.00 C +ATOM 1560 O LEU A 94 5.290 8.079 5.050 1.00 50.00 O +ATOM 1561 CB LEU A 94 6.173 8.810 1.927 1.00 50.00 C +ATOM 1562 CG LEU A 94 7.132 9.898 1.446 1.00 50.00 C +ATOM 1563 CD1 LEU A 94 8.345 9.321 0.768 1.00 50.00 C +ATOM 1564 CD2 LEU A 94 6.449 10.832 0.477 1.00 50.00 C +ATOM 1565 H LEU A 94 7.431 6.543 1.660 1.00 50.00 H +ATOM 1566 HA LEU A 94 7.344 8.594 3.704 1.00 50.00 H +ATOM 1567 1HB LEU A 94 5.953 8.152 1.088 1.00 50.00 H +ATOM 1568 2HB LEU A 94 5.245 9.286 2.242 1.00 50.00 H +ATOM 1569 HG LEU A 94 7.483 10.477 2.300 1.00 50.00 H +ATOM 1570 1HD1 LEU A 94 8.999 10.130 0.442 1.00 50.00 H +ATOM 1571 2HD1 LEU A 94 8.882 8.680 1.467 1.00 50.00 H +ATOM 1572 3HD1 LEU A 94 8.034 8.736 -0.097 1.00 50.00 H +ATOM 1573 1HD2 LEU A 94 7.154 11.597 0.151 1.00 50.00 H +ATOM 1574 2HD2 LEU A 94 6.100 10.268 -0.388 1.00 50.00 H +ATOM 1575 3HD2 LEU A 94 5.599 11.307 0.967 1.00 50.00 H +ATOM 1576 N SER A 95 4.954 6.337 3.622 1.00 0.00 N +ATOM 1577 CA SER A 95 3.843 5.829 4.401 1.00 0.00 C +ATOM 1578 C SER A 95 4.321 5.391 5.758 1.00 0.00 C +ATOM 1579 O SER A 95 3.698 5.677 6.778 1.00 0.00 O +ATOM 1580 CB SER A 95 3.111 4.724 3.641 1.00 0.00 C +ATOM 1581 OG SER A 95 3.912 3.569 3.503 1.00 0.00 O +ATOM 1582 H SER A 95 5.252 5.830 2.801 1.00 0.00 H +ATOM 1583 HA SER A 95 3.144 6.647 4.582 1.00 0.00 H +ATOM 1584 1HB SER A 95 2.193 4.466 4.169 1.00 0.00 H +ATOM 1585 2HB SER A 95 2.829 5.087 2.654 1.00 0.00 H +ATOM 1586 HG SER A 95 4.745 3.772 3.935 1.00 0.00 H +ATOM 1587 N GLY A 96 5.503 4.771 5.800 1.00 50.00 N +ATOM 1588 CA GLY A 96 6.095 4.361 7.071 1.00 50.00 C +ATOM 1589 C GLY A 96 6.446 5.548 7.947 1.00 50.00 C +ATOM 1590 O GLY A 96 6.265 5.519 9.192 1.00 50.00 O +ATOM 1591 H GLY A 96 6.000 4.580 4.942 1.00 50.00 H +ATOM 1592 1HA GLY A 96 5.399 3.714 7.605 1.00 50.00 H +ATOM 1593 2HA GLY A 96 6.995 3.777 6.881 1.00 50.00 H +ATOM 1594 N TYR A 97 7.016 6.591 7.325 1.00 50.00 N +ATOM 1595 CA TYR A 97 7.429 7.741 8.084 1.00 50.00 C +ATOM 1596 C TYR A 97 6.207 8.365 8.764 1.00 50.00 C +ATOM 1597 O TYR A 97 6.279 8.743 9.932 1.00 50.00 O +ATOM 1598 CB TYR A 97 8.167 8.772 7.209 1.00 50.00 C +ATOM 1599 CG TYR A 97 8.054 10.160 7.699 1.00 50.00 C +ATOM 1600 CD1 TYR A 97 8.759 10.611 8.792 1.00 50.00 C +ATOM 1601 CD2 TYR A 97 7.176 11.028 7.098 1.00 50.00 C +ATOM 1602 CE1 TYR A 97 8.588 11.892 9.267 1.00 50.00 C +ATOM 1603 CE2 TYR A 97 7.029 12.314 7.551 1.00 50.00 C +ATOM 1604 CZ TYR A 97 7.723 12.736 8.640 1.00 50.00 C +ATOM 1605 OH TYR A 97 7.527 14.074 9.012 1.00 50.00 O +ATOM 1606 H TYR A 97 7.161 6.583 6.326 1.00 50.00 H +ATOM 1607 HA TYR A 97 8.114 7.412 8.866 1.00 50.00 H +ATOM 1608 1HB TYR A 97 9.226 8.515 7.158 1.00 50.00 H +ATOM 1609 2HB TYR A 97 7.772 8.737 6.194 1.00 50.00 H +ATOM 1610 HD1 TYR A 97 9.466 9.951 9.295 1.00 50.00 H +ATOM 1611 HD2 TYR A 97 6.581 10.698 6.247 1.00 50.00 H +ATOM 1612 HE1 TYR A 97 9.155 12.232 10.133 1.00 50.00 H +ATOM 1613 HE2 TYR A 97 6.354 12.999 7.038 1.00 50.00 H +ATOM 1614 HH TYR A 97 6.906 14.486 8.406 1.00 50.00 H +ATOM 1615 N VAL A 98 5.116 8.534 7.998 1.00 50.00 N +ATOM 1616 CA VAL A 98 3.931 9.200 8.509 1.00 50.00 C +ATOM 1617 C VAL A 98 3.227 8.362 9.576 1.00 50.00 C +ATOM 1618 O VAL A 98 2.778 8.887 10.587 1.00 50.00 O +ATOM 1619 CB VAL A 98 2.959 9.508 7.364 1.00 50.00 C +ATOM 1620 CG1 VAL A 98 1.630 10.007 7.929 1.00 50.00 C +ATOM 1621 CG2 VAL A 98 3.566 10.569 6.426 1.00 50.00 C +ATOM 1622 H VAL A 98 5.117 8.192 7.048 1.00 50.00 H +ATOM 1623 HA VAL A 98 4.235 10.139 8.973 1.00 50.00 H +ATOM 1624 HB VAL A 98 2.771 8.592 6.803 1.00 50.00 H +ATOM 1625 1HG1 VAL A 98 0.944 10.223 7.109 1.00 50.00 H +ATOM 1626 2HG1 VAL A 98 1.197 9.240 8.571 1.00 50.00 H +ATOM 1627 3HG1 VAL A 98 1.799 10.914 8.509 1.00 50.00 H +ATOM 1628 1HG2 VAL A 98 2.868 10.780 5.616 1.00 50.00 H +ATOM 1629 2HG2 VAL A 98 3.759 11.484 6.987 1.00 50.00 H +ATOM 1630 3HG2 VAL A 98 4.502 10.195 6.010 1.00 50.00 H +ATOM 1631 N GLN A 99 3.113 7.057 9.316 1.00 0.00 N +ATOM 1632 CA GLN A 99 2.569 6.129 10.276 1.00 0.00 C +ATOM 1633 C GLN A 99 3.281 6.186 11.594 1.00 0.00 C +ATOM 1634 O GLN A 99 2.622 6.243 12.666 1.00 0.00 O +ATOM 1635 CB GLN A 99 2.586 4.711 9.767 1.00 0.00 C +ATOM 1636 CG GLN A 99 1.851 3.725 10.713 1.00 0.00 C +ATOM 1637 CD GLN A 99 0.413 4.112 11.016 1.00 0.00 C +ATOM 1638 OE1 GLN A 99 -0.287 4.645 10.151 1.00 0.00 O +ATOM 1639 NE2 GLN A 99 -0.015 3.918 12.278 1.00 0.00 N +ATOM 1640 H GLN A 99 3.419 6.712 8.417 1.00 0.00 H +ATOM 1641 HA GLN A 99 1.532 6.401 10.471 1.00 0.00 H +ATOM 1642 1HB GLN A 99 2.115 4.671 8.785 1.00 0.00 H +ATOM 1643 2HB GLN A 99 3.617 4.379 9.648 1.00 0.00 H +ATOM 1644 1HG GLN A 99 1.833 2.738 10.250 1.00 0.00 H +ATOM 1645 2HG GLN A 99 2.385 3.682 11.662 1.00 0.00 H +ATOM 1646 1HE2 GLN A 99 -0.954 4.156 12.531 1.00 0.00 H +ATOM 1647 2HE2 GLN A 99 0.605 3.536 12.964 1.00 0.00 H +ATOM 1648 N GLN A 100 4.618 6.153 11.562 1.00 50.00 N +ATOM 1649 CA GLN A 100 5.358 6.124 12.827 1.00 50.00 C +ATOM 1650 C GLN A 100 5.259 7.443 13.552 1.00 50.00 C +ATOM 1651 O GLN A 100 5.189 7.459 14.771 1.00 50.00 O +ATOM 1652 CB GLN A 100 6.797 5.657 12.707 1.00 50.00 C +ATOM 1653 CG GLN A 100 7.753 6.506 11.875 1.00 50.00 C +ATOM 1654 CD GLN A 100 8.272 7.746 12.567 1.00 50.00 C +ATOM 1655 OE1 GLN A 100 8.501 7.721 13.799 1.00 50.00 O +ATOM 1656 NE2 GLN A 100 8.372 8.906 11.784 1.00 50.00 N +ATOM 1657 H GLN A 100 5.131 6.148 10.692 1.00 50.00 H +ATOM 1658 HA GLN A 100 4.860 5.429 13.503 1.00 50.00 H +ATOM 1659 1HB GLN A 100 7.241 5.588 13.700 1.00 50.00 H +ATOM 1660 2HB GLN A 100 6.820 4.660 12.268 1.00 50.00 H +ATOM 1661 1HG GLN A 100 8.621 5.903 11.609 1.00 50.00 H +ATOM 1662 2HG GLN A 100 7.238 6.837 10.973 1.00 50.00 H +ATOM 1663 1HE2 GLN A 100 8.709 9.757 12.190 1.00 50.00 H +ATOM 1664 2HE2 GLN A 100 8.106 8.884 10.820 1.00 50.00 H +ATOM 1665 N LYS A 101 5.190 8.553 12.807 1.00 50.00 N +ATOM 1666 CA LYS A 101 5.031 9.873 13.424 1.00 50.00 C +ATOM 1667 C LYS A 101 3.754 9.975 14.282 1.00 50.00 C +ATOM 1668 O LYS A 101 3.794 10.557 15.316 1.00 50.00 O +ATOM 1669 CB LYS A 101 4.981 10.975 12.367 1.00 50.00 C +ATOM 1670 CG LYS A 101 4.988 12.386 12.914 1.00 50.00 C +ATOM 1671 CD LYS A 101 6.120 12.644 13.905 1.00 50.00 C +ATOM 1672 CE LYS A 101 7.499 12.193 13.422 1.00 50.00 C +ATOM 1673 NZ LYS A 101 8.499 12.404 14.515 1.00 50.00 N +ATOM 1674 H LYS A 101 5.248 8.484 11.801 1.00 50.00 H +ATOM 1675 HA LYS A 101 5.889 10.058 14.071 1.00 50.00 H +ATOM 1676 1HB LYS A 101 5.837 10.877 11.698 1.00 50.00 H +ATOM 1677 2HB LYS A 101 4.080 10.860 11.764 1.00 50.00 H +ATOM 1678 1HG LYS A 101 5.093 13.095 12.092 1.00 50.00 H +ATOM 1679 2HG LYS A 101 4.045 12.584 13.422 1.00 50.00 H +ATOM 1680 1HD LYS A 101 6.182 13.712 14.117 1.00 50.00 H +ATOM 1681 2HD LYS A 101 5.914 12.118 14.837 1.00 50.00 H +ATOM 1682 1HE LYS A 101 7.461 11.140 13.146 1.00 50.00 H +ATOM 1683 2HE LYS A 101 7.781 12.767 12.540 1.00 50.00 H +ATOM 1684 1HZ LYS A 101 9.412 12.107 14.199 1.00 50.00 H +ATOM 1685 2HZ LYS A 101 8.530 13.384 14.760 1.00 50.00 H +ATOM 1686 3HZ LYS A 101 8.232 11.864 15.325 1.00 50.00 H +ATOM 1687 N PHE A 102 2.632 9.439 13.796 1.00 50.00 N +ATOM 1688 CA PHE A 102 1.340 9.565 14.477 1.00 50.00 C +ATOM 1689 C PHE A 102 1.176 8.532 15.569 1.00 50.00 C +ATOM 1690 O PHE A 102 0.634 8.844 16.586 1.00 50.00 O +ATOM 1691 CB PHE A 102 0.148 9.354 13.541 1.00 50.00 C +ATOM 1692 CG PHE A 102 -0.050 10.422 12.493 1.00 50.00 C +ATOM 1693 CD1 PHE A 102 0.611 11.648 12.537 1.00 50.00 C +ATOM 1694 CD2 PHE A 102 -0.979 10.198 11.458 1.00 50.00 C +ATOM 1695 CE1 PHE A 102 0.380 12.612 11.555 1.00 50.00 C +ATOM 1696 CE2 PHE A 102 -1.219 11.161 10.484 1.00 50.00 C +ATOM 1697 CZ PHE A 102 -0.535 12.368 10.533 1.00 50.00 C +ATOM 1698 H PHE A 102 2.682 8.929 12.926 1.00 50.00 H +ATOM 1699 HA PHE A 102 1.261 10.574 14.885 1.00 50.00 H +ATOM 1700 1HB PHE A 102 0.259 8.404 13.019 1.00 50.00 H +ATOM 1701 2HB PHE A 102 -0.769 9.300 14.126 1.00 50.00 H +ATOM 1702 HD1 PHE A 102 1.312 11.846 13.348 1.00 50.00 H +ATOM 1703 HD2 PHE A 102 -1.512 9.247 11.427 1.00 50.00 H +ATOM 1704 HE1 PHE A 102 0.917 13.560 11.586 1.00 50.00 H +ATOM 1705 HE2 PHE A 102 -1.938 10.975 9.687 1.00 50.00 H +ATOM 1706 HZ PHE A 102 -0.717 13.124 9.771 1.00 50.00 H +ATOM 1707 N SER A 103 1.654 7.309 15.330 1.00 0.00 N +ATOM 1708 CA SER A 103 1.315 6.144 16.135 1.00 0.00 C +ATOM 1709 C SER A 103 2.443 5.200 16.547 1.00 0.00 C +ATOM 1710 O SER A 103 2.187 4.151 17.118 1.00 0.00 O +ATOM 1711 CB SER A 103 0.337 5.332 15.294 1.00 0.00 C +ATOM 1712 OG SER A 103 -0.769 6.158 15.067 1.00 0.00 O +ATOM 1713 H SER A 103 2.283 7.200 14.547 1.00 0.00 H +ATOM 1714 HA SER A 103 0.844 6.486 17.058 1.00 0.00 H +ATOM 1715 1HB SER A 103 0.819 5.031 14.364 1.00 0.00 H +ATOM 1716 2HB SER A 103 0.064 4.424 15.829 1.00 0.00 H +ATOM 1717 HG SER A 103 -0.576 6.987 15.511 1.00 0.00 H +ATOM 1718 N GLY A 104 3.687 5.523 16.176 1.00 0.00 N +ATOM 1719 CA GLY A 104 4.832 4.717 16.553 1.00 0.00 C +ATOM 1720 C GLY A 104 5.183 3.600 15.574 1.00 0.00 C +ATOM 1721 O GLY A 104 4.581 3.426 14.517 1.00 0.00 O +ATOM 1722 H GLY A 104 3.831 6.352 15.617 1.00 0.00 H +ATOM 1723 1HA GLY A 104 5.709 5.356 16.656 1.00 0.00 H +ATOM 1724 2HA GLY A 104 4.651 4.261 17.526 1.00 0.00 H +ATOM 1725 N PRO A 105 6.245 2.837 15.894 1.00 0.00 N +ATOM 1726 CA PRO A 105 6.893 1.975 14.910 1.00 0.00 C +ATOM 1727 C PRO A 105 6.270 0.549 14.653 1.00 0.00 C +ATOM 1728 O PRO A 105 6.781 -0.221 13.835 1.00 0.00 O +ATOM 1729 CB PRO A 105 8.278 1.853 15.527 1.00 0.00 C +ATOM 1730 CG PRO A 105 7.991 1.863 17.020 1.00 0.00 C +ATOM 1731 CD PRO A 105 6.945 2.907 17.178 1.00 0.00 C +ATOM 1732 HA PRO A 105 6.915 2.489 13.938 1.00 0.00 H +ATOM 1733 1HB PRO A 105 8.763 0.928 15.182 1.00 0.00 H +ATOM 1734 2HB PRO A 105 8.911 2.690 15.198 1.00 0.00 H +ATOM 1735 1HG PRO A 105 7.655 0.869 17.349 1.00 0.00 H +ATOM 1736 2HG PRO A 105 8.909 2.090 17.582 1.00 0.00 H +ATOM 1737 1HD PRO A 105 6.290 2.646 18.022 1.00 0.00 H +ATOM 1738 2HD PRO A 105 7.423 3.883 17.346 1.00 0.00 H +ATOM 1739 N TRP A 106 5.212 0.207 15.388 1.00 0.00 N +ATOM 1740 CA TRP A 106 4.683 -1.163 15.429 1.00 0.00 C +ATOM 1741 C TRP A 106 3.568 -1.294 14.451 1.00 0.00 C +ATOM 1742 O TRP A 106 2.377 -1.399 14.832 1.00 0.00 O +ATOM 1743 CB TRP A 106 4.198 -1.503 16.838 1.00 0.00 C +ATOM 1744 CG TRP A 106 5.283 -1.363 17.794 1.00 0.00 C +ATOM 1745 CD1 TRP A 106 5.432 -0.375 18.707 1.00 0.00 C +ATOM 1746 CD2 TRP A 106 6.445 -2.191 17.891 1.00 0.00 C +ATOM 1747 NE1 TRP A 106 6.583 -0.576 19.437 1.00 0.00 N +ATOM 1748 CE2 TRP A 106 7.248 -1.663 18.928 1.00 0.00 C +ATOM 1749 CE3 TRP A 106 6.886 -3.323 17.214 1.00 0.00 C +ATOM 1750 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 0.00 C +ATOM 1751 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 0.00 C +ATOM 1752 CH2 TRP A 106 8.883 -3.334 18.635 1.00 0.00 C +ATOM 1753 H TRP A 106 4.761 0.925 15.937 1.00 0.00 H +ATOM 1754 HA TRP A 106 5.484 -1.851 15.159 1.00 0.00 H +ATOM 1755 1HB TRP A 106 3.375 -0.841 17.109 1.00 0.00 H +ATOM 1756 2HB TRP A 106 3.816 -2.524 16.855 1.00 0.00 H +ATOM 1757 HD1 TRP A 106 4.743 0.456 18.843 1.00 0.00 H +ATOM 1758 HE1 TRP A 106 6.889 -0.015 20.219 1.00 0.00 H +ATOM 1759 HE3 TRP A 106 6.291 -3.770 16.418 1.00 0.00 H +ATOM 1760 HZ2 TRP A 106 9.076 -1.805 20.096 1.00 0.00 H +ATOM 1761 HZ3 TRP A 106 8.487 -4.754 17.039 1.00 0.00 H +ATOM 1762 HH2 TRP A 106 9.823 -3.805 18.922 1.00 0.00 H +ATOM 1763 N PHE A 107 3.953 -1.253 13.172 1.00 0.00 N +ATOM 1764 CA PHE A 107 3.036 -1.371 12.064 1.00 0.00 C +ATOM 1765 C PHE A 107 3.677 -2.206 10.985 1.00 0.00 C +ATOM 1766 O PHE A 107 4.894 -2.447 10.990 1.00 0.00 O +ATOM 1767 CB PHE A 107 2.685 0.028 11.552 1.00 0.00 C +ATOM 1768 CG PHE A 107 3.828 0.751 10.923 1.00 0.00 C +ATOM 1769 CD1 PHE A 107 4.694 1.473 11.696 1.00 0.00 C +ATOM 1770 CD2 PHE A 107 4.036 0.686 9.563 1.00 0.00 C +ATOM 1771 CE1 PHE A 107 5.754 2.149 11.138 1.00 0.00 C +ATOM 1772 CE2 PHE A 107 5.099 1.359 8.987 1.00 0.00 C +ATOM 1773 CZ PHE A 107 5.967 2.072 9.789 1.00 0.00 C +ATOM 1774 H PHE A 107 4.938 -1.133 12.985 1.00 0.00 H +ATOM 1775 HA PHE A 107 2.129 -1.864 12.416 1.00 0.00 H +ATOM 1776 1HB PHE A 107 1.886 -0.044 10.816 1.00 0.00 H +ATOM 1777 2HB PHE A 107 2.315 0.635 12.377 1.00 0.00 H +ATOM 1778 HD1 PHE A 107 4.540 1.511 12.775 1.00 0.00 H +ATOM 1779 HD2 PHE A 107 3.345 0.121 8.937 1.00 0.00 H +ATOM 1780 HE1 PHE A 107 6.416 2.740 11.770 1.00 0.00 H +ATOM 1781 HE2 PHE A 107 5.254 1.330 7.909 1.00 0.00 H +ATOM 1782 HZ PHE A 107 6.823 2.575 9.342 1.00 0.00 H +ATOM 1783 N GLY A 108 2.854 -2.671 10.045 1.00 0.00 N +ATOM 1784 CA GLY A 108 3.360 -3.397 8.913 1.00 0.00 C +ATOM 1785 C GLY A 108 2.290 -3.577 7.884 1.00 0.00 C +ATOM 1786 O GLY A 108 1.119 -3.372 8.147 1.00 0.00 O +ATOM 1787 H GLY A 108 1.859 -2.514 10.124 1.00 0.00 H +ATOM 1788 1HA GLY A 108 4.205 -2.858 8.483 1.00 0.00 H +ATOM 1789 2HA GLY A 108 3.731 -4.368 9.240 1.00 0.00 H +ATOM 1790 N GLY A 109 2.702 -3.994 6.695 1.00 0.00 N +ATOM 1791 CA GLY A 109 1.759 -4.293 5.649 1.00 0.00 C +ATOM 1792 C GLY A 109 1.992 -3.517 4.370 1.00 0.00 C +ATOM 1793 O GLY A 109 2.476 -2.377 4.387 1.00 0.00 O +ATOM 1794 H GLY A 109 3.689 -4.106 6.514 1.00 0.00 H +ATOM 1795 1HA GLY A 109 1.800 -5.357 5.415 1.00 0.00 H +ATOM 1796 2HA GLY A 109 0.749 -4.080 5.998 1.00 0.00 H +ATOM 1797 N LEU A 110 1.579 -4.133 3.265 1.00 0.00 N +ATOM 1798 CA LEU A 110 1.649 -3.570 1.934 1.00 0.00 C +ATOM 1799 C LEU A 110 0.578 -2.498 1.537 1.00 0.00 C +ATOM 1800 O LEU A 110 0.643 -1.896 0.491 1.00 0.00 O +ATOM 1801 CB LEU A 110 1.690 -4.735 0.913 1.00 0.00 C +ATOM 1802 CG LEU A 110 2.211 -4.359 -0.471 1.00 0.00 C +ATOM 1803 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 0.00 C +ATOM 1804 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 0.00 C +ATOM 1805 H LEU A 110 1.193 -5.058 3.388 1.00 0.00 H +ATOM 1806 HA LEU A 110 2.562 -2.981 1.855 1.00 0.00 H +ATOM 1807 1HB LEU A 110 2.326 -5.524 1.311 1.00 0.00 H +ATOM 1808 2HB LEU A 110 0.682 -5.133 0.799 1.00 0.00 H +ATOM 1809 HG LEU A 110 1.627 -3.528 -0.866 1.00 0.00 H +ATOM 1810 1HD1 LEU A 110 4.058 -3.638 -1.344 1.00 0.00 H +ATOM 1811 2HD1 LEU A 110 3.749 -3.043 0.304 1.00 0.00 H +ATOM 1812 3HD1 LEU A 110 4.282 -4.722 0.049 1.00 0.00 H +ATOM 1813 1HD2 LEU A 110 2.425 -5.361 -2.367 1.00 0.00 H +ATOM 1814 2HD2 LEU A 110 2.643 -6.415 -0.949 1.00 0.00 H +ATOM 1815 3HD2 LEU A 110 1.012 -5.879 -1.417 1.00 0.00 H +ATOM 1816 N SER A 111 -0.388 -2.233 2.398 1.00 0.00 N +ATOM 1817 CA SER A 111 -1.473 -1.337 2.056 1.00 0.00 C +ATOM 1818 C SER A 111 -1.077 0.111 1.794 1.00 0.00 C +ATOM 1819 O SER A 111 -1.816 0.818 1.094 1.00 0.00 O +ATOM 1820 CB SER A 111 -2.582 -1.383 3.120 1.00 0.00 C +ATOM 1821 OG SER A 111 -2.152 -0.894 4.402 1.00 0.00 O +ATOM 1822 H SER A 111 -0.373 -2.661 3.313 1.00 0.00 H +ATOM 1823 HA SER A 111 -1.897 -1.655 1.103 1.00 0.00 H +ATOM 1824 1HB SER A 111 -3.430 -0.786 2.787 1.00 0.00 H +ATOM 1825 2HB SER A 111 -2.930 -2.408 3.238 1.00 0.00 H +ATOM 1826 HG SER A 111 -1.232 -0.641 4.294 1.00 0.00 H +ATOM 1827 N GLY A 112 0.060 0.563 2.342 1.00 0.00 N +ATOM 1828 CA GLY A 112 0.558 1.902 2.041 1.00 0.00 C +ATOM 1829 C GLY A 112 0.835 1.962 0.556 1.00 0.00 C +ATOM 1830 O GLY A 112 0.418 2.902 -0.174 1.00 0.00 O +ATOM 1831 H GLY A 112 0.584 -0.027 2.973 1.00 0.00 H +ATOM 1832 1HA GLY A 112 -0.184 2.642 2.341 1.00 0.00 H +ATOM 1833 2HA GLY A 112 1.458 2.095 2.624 1.00 0.00 H +ATOM 1834 N VAL A 113 1.540 0.924 0.096 1.00 0.00 N +ATOM 1835 CA VAL A 113 1.903 0.739 -1.310 1.00 0.00 C +ATOM 1836 C VAL A 113 0.659 0.516 -2.161 1.00 0.00 C +ATOM 1837 O VAL A 113 0.524 1.047 -3.201 1.00 0.00 O +ATOM 1838 CB VAL A 113 2.892 -0.431 -1.499 1.00 0.00 C +ATOM 1839 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 0.00 C +ATOM 1840 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 0.00 C +ATOM 1841 H VAL A 113 1.832 0.235 0.774 1.00 0.00 H +ATOM 1842 HA VAL A 113 2.387 1.650 -1.665 1.00 0.00 H +ATOM 1843 HB VAL A 113 2.451 -1.338 -1.084 1.00 0.00 H +ATOM 1844 1HG1 VAL A 113 3.846 -1.469 -3.090 1.00 0.00 H +ATOM 1845 2HG1 VAL A 113 2.210 -0.876 -3.463 1.00 0.00 H +ATOM 1846 3HG1 VAL A 113 3.575 0.264 -3.388 1.00 0.00 H +ATOM 1847 1HG2 VAL A 113 4.877 -1.018 -0.956 1.00 0.00 H +ATOM 1848 2HG2 VAL A 113 4.665 0.732 -1.207 1.00 0.00 H +ATOM 1849 3HG2 VAL A 113 4.034 -0.039 0.268 1.00 0.00 H +ATOM 1850 N VAL A 114 -0.262 -0.311 -1.683 1.00 0.00 N +ATOM 1851 CA VAL A 114 -1.478 -0.548 -2.407 1.00 0.00 C +ATOM 1852 C VAL A 114 -2.274 0.733 -2.602 1.00 0.00 C +ATOM 1853 O VAL A 114 -2.800 0.950 -3.716 1.00 0.00 O +ATOM 1854 CB VAL A 114 -2.323 -1.627 -1.738 1.00 0.00 C +ATOM 1855 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 0.00 C +ATOM 1856 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 0.00 C +ATOM 1857 H VAL A 114 -0.114 -0.782 -0.802 1.00 0.00 H +ATOM 1858 HA VAL A 114 -1.222 -0.889 -3.411 1.00 0.00 H +ATOM 1859 HB VAL A 114 -2.414 -1.398 -0.676 1.00 0.00 H +ATOM 1860 1HG1 VAL A 114 -4.287 -2.446 -1.842 1.00 0.00 H +ATOM 1861 2HG1 VAL A 114 -4.188 -0.704 -2.193 1.00 0.00 H +ATOM 1862 3HG1 VAL A 114 -3.630 -1.889 -3.399 1.00 0.00 H +ATOM 1863 1HG2 VAL A 114 -2.235 -3.739 -1.450 1.00 0.00 H +ATOM 1864 2HG2 VAL A 114 -1.545 -3.171 -2.989 1.00 0.00 H +ATOM 1865 3HG2 VAL A 114 -0.652 -2.927 -1.468 1.00 0.00 H +ATOM 1866 N TYR A 115 -2.370 1.562 -1.545 1.00 50.00 N +ATOM 1867 CA TYR A 115 -3.100 2.840 -1.628 1.00 50.00 C +ATOM 1868 C TYR A 115 -2.456 3.765 -2.681 1.00 50.00 C +ATOM 1869 O TYR A 115 -3.168 4.421 -3.422 1.00 50.00 O +ATOM 1870 CB TYR A 115 -3.245 3.589 -0.279 1.00 50.00 C +ATOM 1871 CG TYR A 115 -4.429 3.139 0.609 1.00 50.00 C +ATOM 1872 CD1 TYR A 115 -4.694 1.802 0.820 1.00 50.00 C +ATOM 1873 CD2 TYR A 115 -5.240 4.072 1.267 1.00 50.00 C +ATOM 1874 CE1 TYR A 115 -5.720 1.388 1.614 1.00 50.00 C +ATOM 1875 CE2 TYR A 115 -6.272 3.666 2.094 1.00 50.00 C +ATOM 1876 CZ TYR A 115 -6.507 2.309 2.268 1.00 50.00 C +ATOM 1877 OH TYR A 115 -7.530 1.842 3.089 1.00 50.00 O +ATOM 1878 H TYR A 115 -1.931 1.302 -0.673 1.00 50.00 H +ATOM 1879 HA TYR A 115 -4.111 2.638 -1.983 1.00 50.00 H +ATOM 1880 1HB TYR A 115 -2.334 3.463 0.308 1.00 50.00 H +ATOM 1881 2HB TYR A 115 -3.368 4.655 -0.466 1.00 50.00 H +ATOM 1882 HD1 TYR A 115 -4.074 1.042 0.345 1.00 50.00 H +ATOM 1883 HD2 TYR A 115 -5.064 5.139 1.131 1.00 50.00 H +ATOM 1884 HE1 TYR A 115 -5.901 0.323 1.759 1.00 50.00 H +ATOM 1885 HE2 TYR A 115 -6.890 4.409 2.599 1.00 50.00 H +ATOM 1886 HH TYR A 115 -7.996 2.588 3.474 1.00 50.00 H +ATOM 1887 N ALA A 116 -1.114 3.815 -2.718 1.00 50.00 N +ATOM 1888 CA ALA A 116 -0.371 4.592 -3.727 1.00 50.00 C +ATOM 1889 C ALA A 116 -0.724 4.110 -5.152 1.00 50.00 C +ATOM 1890 O ALA A 116 -1.013 4.907 -6.040 1.00 50.00 O +ATOM 1891 CB ALA A 116 1.118 4.457 -3.464 1.00 50.00 C +ATOM 1892 H ALA A 116 -0.600 3.295 -2.021 1.00 50.00 H +ATOM 1893 HA ALA A 116 -0.663 5.638 -3.632 1.00 50.00 H +ATOM 1894 1HB ALA A 116 1.672 5.030 -4.208 1.00 50.00 H +ATOM 1895 2HB ALA A 116 1.348 4.837 -2.468 1.00 50.00 H +ATOM 1896 3HB ALA A 116 1.405 3.408 -3.527 1.00 50.00 H +ATOM 1897 N LEU A 117 -0.798 2.786 -5.336 1.00 0.00 N +ATOM 1898 CA LEU A 117 -1.115 2.238 -6.659 1.00 0.00 C +ATOM 1899 C LEU A 117 -2.518 2.606 -7.093 1.00 0.00 C +ATOM 1900 O LEU A 117 -2.765 2.985 -8.265 1.00 0.00 O +ATOM 1901 CB LEU A 117 -0.934 0.708 -6.672 1.00 0.00 C +ATOM 1902 CG LEU A 117 0.514 0.291 -6.600 1.00 0.00 C +ATOM 1903 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 0.00 C +ATOM 1904 CD2 LEU A 117 1.256 0.753 -7.849 1.00 0.00 C +ATOM 1905 H LEU A 117 -0.636 2.152 -4.567 1.00 0.00 H +ATOM 1906 HA LEU A 117 -0.431 2.674 -7.387 1.00 0.00 H +ATOM 1907 1HB LEU A 117 -1.471 0.288 -5.823 1.00 0.00 H +ATOM 1908 2HB LEU A 117 -1.376 0.313 -7.587 1.00 0.00 H +ATOM 1909 HG LEU A 117 0.979 0.740 -5.722 1.00 0.00 H +ATOM 1910 1HD1 LEU A 117 1.616 -1.541 -6.405 1.00 0.00 H +ATOM 1911 2HD1 LEU A 117 0.057 -1.524 -5.549 1.00 0.00 H +ATOM 1912 3HD1 LEU A 117 0.097 -1.687 -7.321 1.00 0.00 H +ATOM 1913 1HD2 LEU A 117 2.301 0.447 -7.786 1.00 0.00 H +ATOM 1914 2HD2 LEU A 117 0.799 0.304 -8.731 1.00 0.00 H +ATOM 1915 3HD2 LEU A 117 1.200 1.839 -7.925 1.00 0.00 H +ATOM 1916 N MET A 118 -3.452 2.481 -6.146 1.00 50.00 N +ATOM 1917 CA MET A 118 -4.823 2.848 -6.403 1.00 50.00 C +ATOM 1918 C MET A 118 -4.954 4.271 -6.865 1.00 50.00 C +ATOM 1919 O MET A 118 -5.600 4.537 -7.901 1.00 50.00 O +ATOM 1920 CB MET A 118 -5.659 2.631 -5.171 1.00 50.00 C +ATOM 1921 CG MET A 118 -6.023 1.169 -4.942 1.00 50.00 C +ATOM 1922 SD MET A 118 -6.812 1.085 -3.306 1.00 50.00 S +ATOM 1923 CE MET A 118 -7.401 -0.599 -3.335 1.00 50.00 C +ATOM 1924 H MET A 118 -3.201 2.125 -5.235 1.00 50.00 H +ATOM 1925 HA MET A 118 -5.206 2.215 -7.203 1.00 50.00 H +ATOM 1926 1HB MET A 118 -5.120 2.994 -4.297 1.00 50.00 H +ATOM 1927 2HB MET A 118 -6.581 3.209 -5.250 1.00 50.00 H +ATOM 1928 1HG MET A 118 -6.697 0.834 -5.730 1.00 50.00 H +ATOM 1929 2HG MET A 118 -5.121 0.559 -4.983 1.00 50.00 H +ATOM 1930 1HE MET A 118 -7.914 -0.821 -2.399 1.00 50.00 H +ATOM 1931 2HE MET A 118 -8.092 -0.729 -4.169 1.00 50.00 H +ATOM 1932 3HE MET A 118 -6.556 -1.278 -3.455 1.00 50.00 H +ATOM 1933 N GLY A 119 -4.355 5.186 -6.100 1.00 50.00 N +ATOM 1934 CA GLY A 119 -4.369 6.593 -6.458 1.00 50.00 C +ATOM 1935 C GLY A 119 -3.620 6.898 -7.780 1.00 50.00 C +ATOM 1936 O GLY A 119 -4.047 7.728 -8.579 1.00 50.00 O +ATOM 1937 H GLY A 119 -3.882 4.898 -5.255 1.00 50.00 H +ATOM 1938 1HA GLY A 119 -5.400 6.933 -6.557 1.00 50.00 H +ATOM 1939 2HA GLY A 119 -3.913 7.176 -5.659 1.00 50.00 H +ATOM 1940 N TYR A 120 -2.478 6.225 -7.973 1.00 50.00 N +ATOM 1941 CA TYR A 120 -1.671 6.370 -9.154 1.00 50.00 C +ATOM 1942 C TYR A 120 -2.460 6.001 -10.424 1.00 50.00 C +ATOM 1943 O TYR A 120 -2.560 6.825 -11.395 1.00 50.00 O +ATOM 1944 CB TYR A 120 -0.370 5.552 -9.075 1.00 50.00 C +ATOM 1945 CG TYR A 120 0.523 5.911 -10.236 1.00 50.00 C +ATOM 1946 CD1 TYR A 120 1.361 7.033 -10.209 1.00 50.00 C +ATOM 1947 CD2 TYR A 120 0.490 5.158 -11.387 1.00 50.00 C +ATOM 1948 CE1 TYR A 120 2.157 7.355 -11.307 1.00 50.00 C +ATOM 1949 CE2 TYR A 120 1.253 5.463 -12.478 1.00 50.00 C +ATOM 1950 CZ TYR A 120 2.086 6.561 -12.446 1.00 50.00 C +ATOM 1951 OH TYR A 120 2.781 6.771 -13.575 1.00 50.00 O +ATOM 1952 H TYR A 120 -2.179 5.588 -7.248 1.00 50.00 H +ATOM 1953 HA TYR A 120 -1.398 7.420 -9.260 1.00 50.00 H +ATOM 1954 1HB TYR A 120 0.134 5.759 -8.130 1.00 50.00 H +ATOM 1955 2HB TYR A 120 -0.607 4.489 -9.093 1.00 50.00 H +ATOM 1956 HD1 TYR A 120 1.396 7.666 -9.322 1.00 50.00 H +ATOM 1957 HD2 TYR A 120 -0.161 4.286 -11.449 1.00 50.00 H +ATOM 1958 HE1 TYR A 120 2.804 8.231 -11.272 1.00 50.00 H +ATOM 1959 HE2 TYR A 120 1.201 4.839 -13.371 1.00 50.00 H +ATOM 1960 HH TYR A 120 2.559 6.092 -14.217 1.00 50.00 H +ATOM 1961 N VAL A 121 -2.966 4.756 -10.439 1.00 50.00 N +ATOM 1962 CA VAL A 121 -3.594 4.207 -11.644 1.00 50.00 C +ATOM 1963 C VAL A 121 -4.861 4.999 -11.930 1.00 50.00 C +ATOM 1964 O VAL A 121 -5.115 5.422 -13.073 1.00 50.00 O +ATOM 1965 CB VAL A 121 -3.861 2.692 -11.566 1.00 50.00 C +ATOM 1966 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 50.00 C +ATOM 1967 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 50.00 C +ATOM 1968 H VAL A 121 -2.915 4.185 -9.607 1.00 50.00 H +ATOM 1969 HA VAL A 121 -2.924 4.371 -12.489 1.00 50.00 H +ATOM 1970 HB VAL A 121 -4.463 2.484 -10.681 1.00 50.00 H +ATOM 1971 1HG1 VAL A 121 -4.864 1.135 -12.686 1.00 50.00 H +ATOM 1972 2HG1 VAL A 121 -5.650 2.728 -12.784 1.00 50.00 H +ATOM 1973 3HG1 VAL A 121 -4.151 2.417 -13.693 1.00 50.00 H +ATOM 1974 1HG2 VAL A 121 -2.756 0.858 -11.418 1.00 50.00 H +ATOM 1975 2HG2 VAL A 121 -1.944 2.135 -12.355 1.00 50.00 H +ATOM 1976 3HG2 VAL A 121 -2.009 2.239 -10.579 1.00 50.00 H +ATOM 1977 N TRP A 122 -5.639 5.261 -10.879 1.00 50.00 N +ATOM 1978 CA TRP A 122 -6.871 6.005 -11.060 1.00 50.00 C +ATOM 1979 C TRP A 122 -6.609 7.411 -11.681 1.00 50.00 C +ATOM 1980 O TRP A 122 -7.211 7.780 -12.688 1.00 50.00 O +ATOM 1981 CB TRP A 122 -7.608 6.191 -9.727 1.00 50.00 C +ATOM 1982 CG TRP A 122 -8.853 6.956 -9.952 1.00 50.00 C +ATOM 1983 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 50.00 C +ATOM 1984 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 50.00 C +ATOM 1985 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 50.00 N +ATOM 1986 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 50.00 C +ATOM 1987 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 50.00 C +ATOM 1988 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 50.00 C +ATOM 1989 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 50.00 C +ATOM 1990 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 50.00 C +ATOM 1991 H TRP A 122 -5.384 4.949 -9.953 1.00 50.00 H +ATOM 1992 HA TRP A 122 -7.518 5.443 -11.733 1.00 50.00 H +ATOM 1993 1HB TRP A 122 -7.834 5.215 -9.297 1.00 50.00 H +ATOM 1994 2HB TRP A 122 -6.962 6.716 -9.024 1.00 50.00 H +ATOM 1995 HD1 TRP A 122 -10.051 5.552 -11.078 1.00 50.00 H +ATOM 1996 HE1 TRP A 122 -11.778 7.469 -11.119 1.00 50.00 H +ATOM 1997 HE3 TRP A 122 -7.371 9.039 -8.508 1.00 50.00 H +ATOM 1998 HZ2 TRP A 122 -11.960 10.130 -10.171 1.00 50.00 H +ATOM 1999 HZ3 TRP A 122 -8.374 11.247 -8.104 1.00 50.00 H +ATOM 2000 HH2 TRP A 122 -10.644 11.806 -8.976 1.00 50.00 H +ATOM 2001 N LEU A 123 -5.730 8.181 -11.026 1.00 50.00 N +ATOM 2002 CA LEU A 123 -5.514 9.562 -11.388 1.00 50.00 C +ATOM 2003 C LEU A 123 -4.817 9.648 -12.756 1.00 50.00 C +ATOM 2004 O LEU A 123 -5.171 10.473 -13.579 1.00 50.00 O +ATOM 2005 CB LEU A 123 -4.719 10.318 -10.308 1.00 50.00 C +ATOM 2006 CG LEU A 123 -4.573 11.816 -10.693 1.00 50.00 C +ATOM 2007 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 50.00 C +ATOM 2008 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 50.00 C +ATOM 2009 H LEU A 123 -5.205 7.785 -10.259 1.00 50.00 H +ATOM 2010 HA LEU A 123 -6.484 10.047 -11.494 1.00 50.00 H +ATOM 2011 1HB LEU A 123 -5.242 10.219 -9.358 1.00 50.00 H +ATOM 2012 2HB LEU A 123 -3.738 9.853 -10.209 1.00 50.00 H +ATOM 2013 HG LEU A 123 -4.090 11.896 -11.667 1.00 50.00 H +ATOM 2014 1HD1 LEU A 123 -5.776 13.539 -11.164 1.00 50.00 H +ATOM 2015 2HD1 LEU A 123 -6.470 11.989 -11.697 1.00 50.00 H +ATOM 2016 3HD1 LEU A 123 -6.505 12.435 -9.974 1.00 50.00 H +ATOM 2017 1HD2 LEU A 123 -3.652 13.623 -9.981 1.00 50.00 H +ATOM 2018 2HD2 LEU A 123 -4.205 12.522 -8.697 1.00 50.00 H +ATOM 2019 3HD2 LEU A 123 -2.736 12.139 -9.625 1.00 50.00 H +ATOM 2020 N ARG A 124 -3.844 8.758 -12.988 1.00 0.00 N +ATOM 2021 CA ARG A 124 -3.121 8.743 -14.259 1.00 0.00 C +ATOM 2022 C ARG A 124 -4.117 8.483 -15.390 1.00 0.00 C +ATOM 2023 O ARG A 124 -4.081 9.146 -16.406 1.00 0.00 O +ATOM 2024 CB ARG A 124 -2.007 7.709 -14.199 1.00 0.00 C +ATOM 2025 CG ARG A 124 -1.047 7.685 -15.360 1.00 0.00 C +ATOM 2026 CD ARG A 124 0.014 8.779 -15.313 1.00 0.00 C +ATOM 2027 NE ARG A 124 0.735 8.872 -16.589 1.00 0.00 N +ATOM 2028 CZ ARG A 124 1.820 8.169 -16.932 1.00 0.00 C +ATOM 2029 NH1 ARG A 124 2.389 7.295 -16.123 1.00 0.00 N +ATOM 2030 NH2 ARG A 124 2.364 8.368 -18.108 1.00 0.00 N +ATOM 2031 H ARG A 124 -3.602 8.084 -12.276 1.00 0.00 H +ATOM 2032 HA ARG A 124 -2.684 9.729 -14.420 1.00 0.00 H +ATOM 2033 1HB ARG A 124 -1.410 7.869 -13.302 1.00 0.00 H +ATOM 2034 2HB ARG A 124 -2.440 6.711 -14.130 1.00 0.00 H +ATOM 2035 1HG ARG A 124 -0.522 6.730 -15.378 1.00 0.00 H +ATOM 2036 2HG ARG A 124 -1.599 7.814 -16.292 1.00 0.00 H +ATOM 2037 1HD ARG A 124 -0.461 9.738 -15.111 1.00 0.00 H +ATOM 2038 2HD ARG A 124 0.731 8.557 -14.524 1.00 0.00 H +ATOM 2039 HE ARG A 124 0.387 9.525 -17.279 1.00 0.00 H +ATOM 2040 1HH1 ARG A 124 2.006 7.135 -15.202 1.00 0.00 H +ATOM 2041 2HH1 ARG A 124 3.208 6.786 -16.424 1.00 0.00 H +ATOM 2042 1HH2 ARG A 124 1.963 9.046 -18.742 1.00 0.00 H +ATOM 2043 2HH2 ARG A 124 3.183 7.845 -18.380 1.00 0.00 H +ATOM 2044 N GLY A 125 -5.013 7.515 -15.173 1.00 0.00 N +ATOM 2045 CA GLY A 125 -6.136 7.249 -16.048 1.00 0.00 C +ATOM 2046 C GLY A 125 -6.964 8.487 -16.324 1.00 0.00 C +ATOM 2047 O GLY A 125 -7.189 8.835 -17.467 1.00 0.00 O +ATOM 2048 H GLY A 125 -4.886 6.946 -14.348 1.00 0.00 H +ATOM 2049 1HA GLY A 125 -5.773 6.847 -16.994 1.00 0.00 H +ATOM 2050 2HA GLY A 125 -6.774 6.488 -15.600 1.00 0.00 H +ATOM 2051 N GLU A 126 -7.394 9.173 -15.268 1.00 0.00 N +ATOM 2052 CA GLU A 126 -8.222 10.362 -15.426 1.00 0.00 C +ATOM 2053 C GLU A 126 -7.534 11.486 -16.208 1.00 0.00 C +ATOM 2054 O GLU A 126 -8.164 12.133 -17.038 1.00 0.00 O +ATOM 2055 CB GLU A 126 -8.706 10.881 -14.061 1.00 0.00 C +ATOM 2056 CG GLU A 126 -9.664 9.937 -13.348 1.00 0.00 C +ATOM 2057 CD GLU A 126 -10.903 9.568 -14.172 1.00 0.00 C +ATOM 2058 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 0.00 O +ATOM 2059 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 0.00 O +ATOM 2060 H GLU A 126 -7.144 8.867 -14.338 1.00 0.00 H +ATOM 2061 HA GLU A 126 -9.095 10.099 -16.024 1.00 0.00 H +ATOM 2062 1HB GLU A 126 -7.848 11.049 -13.410 1.00 0.00 H +ATOM 2063 2HB GLU A 126 -9.209 11.839 -14.193 1.00 0.00 H +ATOM 2064 1HG GLU A 126 -9.134 9.018 -13.098 1.00 0.00 H +ATOM 2065 2HG GLU A 126 -9.989 10.401 -12.418 1.00 0.00 H +ATOM 2066 N ARG A 127 -6.243 11.722 -15.936 1.00 0.00 N +ATOM 2067 CA ARG A 127 -5.539 12.899 -16.458 1.00 0.00 C +ATOM 2068 C ARG A 127 -4.823 12.654 -17.782 1.00 0.00 C +ATOM 2069 O ARG A 127 -4.539 13.574 -18.510 1.00 0.00 O +ATOM 2070 CB ARG A 127 -4.528 13.410 -15.429 1.00 0.00 C +ATOM 2071 CG ARG A 127 -5.155 14.040 -14.192 1.00 0.00 C +ATOM 2072 CD ARG A 127 -4.172 14.944 -13.448 1.00 0.00 C +ATOM 2073 NE ARG A 127 -3.884 16.165 -14.201 1.00 0.00 N +ATOM 2074 CZ ARG A 127 -2.674 16.679 -14.440 1.00 0.00 C +ATOM 2075 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 0.00 N +ATOM 2076 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 0.00 N +ATOM 2077 H ARG A 127 -5.742 11.067 -15.353 1.00 0.00 H +ATOM 2078 HA ARG A 127 -6.272 13.684 -16.650 1.00 0.00 H +ATOM 2079 1HB ARG A 127 -3.895 12.587 -15.101 1.00 0.00 H +ATOM 2080 2HB ARG A 127 -3.881 14.155 -15.893 1.00 0.00 H +ATOM 2081 1HG ARG A 127 -6.015 14.642 -14.486 1.00 0.00 H +ATOM 2082 2HG ARG A 127 -5.479 13.255 -13.508 1.00 0.00 H +ATOM 2083 1HD ARG A 127 -4.596 15.227 -12.485 1.00 0.00 H +ATOM 2084 2HD ARG A 127 -3.236 14.410 -13.289 1.00 0.00 H +ATOM 2085 HE ARG A 127 -4.668 16.678 -14.582 1.00 0.00 H +ATOM 2086 1HH1 ARG A 127 -1.633 15.310 -13.366 1.00 0.00 H +ATOM 2087 2HH1 ARG A 127 -0.673 16.550 -14.143 1.00 0.00 H +ATOM 2088 1HH2 ARG A 127 -3.393 18.218 -15.543 1.00 0.00 H +ATOM 2089 2HH2 ARG A 127 -1.655 18.170 -15.355 1.00 0.00 H +ATOM 2090 N ASP A 128 -4.536 11.391 -18.083 1.00 0.00 N +ATOM 2091 CA ASP A 128 -3.576 11.028 -19.107 1.00 0.00 C +ATOM 2092 C ASP A 128 -4.052 9.686 -19.649 1.00 0.00 C +ATOM 2093 O ASP A 128 -3.365 8.673 -19.529 1.00 0.00 O +ATOM 2094 CB ASP A 128 -2.196 10.931 -18.441 1.00 0.00 C +ATOM 2095 CG ASP A 128 -1.055 10.750 -19.420 1.00 0.00 C +ATOM 2096 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 0.00 O +ATOM 2097 OD2 ASP A 128 0.047 10.408 -18.924 1.00 0.00 O +ATOM 2098 H ASP A 128 -5.011 10.660 -17.573 1.00 0.00 H +ATOM 2099 HA ASP A 128 -3.568 11.810 -19.867 1.00 0.00 H +ATOM 2100 1HB ASP A 128 -2.007 11.835 -17.862 1.00 0.00 H +ATOM 2101 2HB ASP A 128 -2.185 10.090 -17.747 1.00 0.00 H +ATOM 2102 N PRO A 129 -5.283 9.654 -20.211 1.00 0.00 N +ATOM 2103 CA PRO A 129 -5.854 8.454 -20.824 1.00 0.00 C +ATOM 2104 C PRO A 129 -4.924 7.473 -21.560 1.00 0.00 C +ATOM 2105 O PRO A 129 -4.899 6.302 -21.224 1.00 0.00 O +ATOM 2106 CB PRO A 129 -6.858 9.051 -21.830 1.00 0.00 C +ATOM 2107 CG PRO A 129 -7.237 10.394 -21.275 1.00 0.00 C +ATOM 2108 CD PRO A 129 -6.219 10.793 -20.244 1.00 0.00 C +ATOM 2109 HA PRO A 129 -6.365 7.861 -20.051 1.00 0.00 H +ATOM 2110 1HB PRO A 129 -6.393 9.130 -22.824 1.00 0.00 H +ATOM 2111 2HB PRO A 129 -7.728 8.385 -21.934 1.00 0.00 H +ATOM 2112 1HG PRO A 129 -7.280 11.140 -22.082 1.00 0.00 H +ATOM 2113 2HG PRO A 129 -8.241 10.351 -20.828 1.00 0.00 H +ATOM 2114 1HD PRO A 129 -5.714 11.716 -20.565 1.00 0.00 H +ATOM 2115 2HD PRO A 129 -6.717 10.940 -19.274 1.00 0.00 H +ATOM 2116 N GLN A 130 -4.200 7.938 -22.576 1.00 0.00 N +ATOM 2117 CA GLN A 130 -3.542 7.011 -23.492 1.00 0.00 C +ATOM 2118 C GLN A 130 -2.048 6.792 -23.213 1.00 0.00 C +ATOM 2119 O GLN A 130 -1.258 6.579 -24.130 1.00 0.00 O +ATOM 2120 CB GLN A 130 -3.797 7.385 -24.967 1.00 0.00 C +ATOM 2121 CG GLN A 130 -5.228 7.811 -25.333 1.00 0.00 C +ATOM 2122 CD GLN A 130 -6.354 6.883 -24.856 1.00 0.00 C +ATOM 2123 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 0.00 O +ATOM 2124 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 0.00 N +ATOM 2125 H GLN A 130 -4.098 8.932 -22.724 1.00 0.00 H +ATOM 2126 HA GLN A 130 -3.946 6.013 -23.323 1.00 0.00 H +ATOM 2127 1HB GLN A 130 -3.143 8.209 -25.252 1.00 0.00 H +ATOM 2128 2HB GLN A 130 -3.551 6.537 -25.605 1.00 0.00 H +ATOM 2129 1HG GLN A 130 -5.429 8.788 -24.894 1.00 0.00 H +ATOM 2130 2HG GLN A 130 -5.314 7.865 -26.418 1.00 0.00 H +ATOM 2131 1HE2 GLN A 130 -8.346 6.611 -25.070 1.00 0.00 H +ATOM 2132 2HE2 GLN A 130 -7.678 7.942 -25.956 1.00 0.00 H +ATOM 2133 N SER A 131 -1.680 6.825 -21.929 1.00 0.00 N +ATOM 2134 CA SER A 131 -0.522 6.088 -21.433 1.00 0.00 C +ATOM 2135 C SER A 131 -0.938 4.618 -21.261 1.00 0.00 C +ATOM 2136 O SER A 131 -0.093 3.761 -20.966 1.00 0.00 O +ATOM 2137 CB SER A 131 -0.005 6.673 -20.118 1.00 0.00 C +ATOM 2138 OG SER A 131 -1.057 7.180 -19.311 1.00 0.00 O +ATOM 2139 H SER A 131 -2.224 7.379 -21.283 1.00 0.00 H +ATOM 2140 HA SER A 131 0.276 6.159 -22.173 1.00 0.00 H +ATOM 2141 1HB SER A 131 0.531 5.903 -19.563 1.00 0.00 H +ATOM 2142 2HB SER A 131 0.701 7.475 -20.330 1.00 0.00 H +ATOM 2143 HG SER A 131 -1.866 7.027 -19.804 1.00 0.00 H +ATOM 2144 N GLY A 132 -2.245 4.353 -21.457 1.00 0.00 N +ATOM 2145 CA GLY A 132 -2.818 3.027 -21.492 1.00 0.00 C +ATOM 2146 C GLY A 132 -3.008 2.443 -20.100 1.00 0.00 C +ATOM 2147 O GLY A 132 -3.111 1.224 -19.941 1.00 0.00 O +ATOM 2148 H GLY A 132 -2.848 5.153 -21.586 1.00 0.00 H +ATOM 2149 1HA GLY A 132 -3.782 3.060 -22.000 1.00 0.00 H +ATOM 2150 2HA GLY A 132 -2.173 2.367 -22.071 1.00 0.00 H +ATOM 2151 N ILE A 133 -3.043 3.310 -19.084 1.00 0.00 N +ATOM 2152 CA ILE A 133 -3.269 2.881 -17.720 1.00 0.00 C +ATOM 2153 C ILE A 133 -4.504 3.635 -17.184 1.00 0.00 C +ATOM 2154 O ILE A 133 -4.606 4.864 -17.304 1.00 0.00 O +ATOM 2155 CB ILE A 133 -1.983 3.065 -16.848 1.00 0.00 C +ATOM 2156 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 0.00 C +ATOM 2157 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 0.00 C +ATOM 2158 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 0.00 C +ATOM 2159 H ILE A 133 -2.908 4.293 -19.275 1.00 0.00 H +ATOM 2160 HA ILE A 133 -3.527 1.823 -17.729 1.00 0.00 H +ATOM 2161 HB ILE A 133 -1.099 2.896 -17.463 1.00 0.00 H +ATOM 2162 1HG1 ILE A 133 -2.917 1.652 -15.523 1.00 0.00 H +ATOM 2163 2HG1 ILE A 133 -1.376 1.115 -16.173 1.00 0.00 H +ATOM 2164 1HG2 ILE A 133 -0.972 4.545 -15.653 1.00 0.00 H +ATOM 2165 2HG2 ILE A 133 -1.851 5.205 -17.053 1.00 0.00 H +ATOM 2166 3HG2 ILE A 133 -2.748 4.659 -15.617 1.00 0.00 H +ATOM 2167 1HD1 ILE A 133 -1.215 1.564 -13.789 1.00 0.00 H +ATOM 2168 2HD1 ILE A 133 -0.192 2.696 -14.706 1.00 0.00 H +ATOM 2169 3HD1 ILE A 133 -1.754 3.240 -14.047 1.00 0.00 H +ATOM 2170 N TYR A 134 -5.460 2.883 -16.628 1.00 0.00 N +ATOM 2171 CA TYR A 134 -6.641 3.467 -15.977 1.00 0.00 C +ATOM 2172 C TYR A 134 -7.279 2.454 -15.025 1.00 0.00 C +ATOM 2173 O TYR A 134 -6.992 1.266 -15.073 1.00 0.00 O +ATOM 2174 CB TYR A 134 -7.663 3.946 -17.019 1.00 0.00 C +ATOM 2175 CG TYR A 134 -8.329 2.802 -17.733 1.00 0.00 C +ATOM 2176 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 0.00 C +ATOM 2177 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 0.00 C +ATOM 2178 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 0.00 C +ATOM 2179 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 0.00 C +ATOM 2180 CZ TYR A 134 -9.549 0.661 -19.041 1.00 0.00 C +ATOM 2181 OH TYR A 134 -10.145 -0.385 -19.695 1.00 0.00 O +ATOM 2182 H TYR A 134 -5.362 1.878 -16.659 1.00 0.00 H +ATOM 2183 HA TYR A 134 -6.321 4.327 -15.388 1.00 0.00 H +ATOM 2184 1HB TYR A 134 -8.427 4.551 -16.528 1.00 0.00 H +ATOM 2185 2HB TYR A 134 -7.165 4.580 -17.752 1.00 0.00 H +ATOM 2186 HD1 TYR A 134 -6.636 2.373 -19.012 1.00 0.00 H +ATOM 2187 HD2 TYR A 134 -10.190 2.944 -16.638 1.00 0.00 H +ATOM 2188 HE1 TYR A 134 -7.716 0.490 -20.169 1.00 0.00 H +ATOM 2189 HE2 TYR A 134 -11.257 1.053 -17.788 1.00 0.00 H +ATOM 2190 HH TYR A 134 -11.033 -0.511 -19.353 1.00 0.00 H +ATOM 2191 N LEU A 135 -8.143 2.950 -14.140 1.00 50.00 N +ATOM 2192 CA LEU A 135 -8.883 2.105 -13.214 1.00 50.00 C +ATOM 2193 C LEU A 135 -10.338 2.129 -13.686 1.00 50.00 C +ATOM 2194 O LEU A 135 -11.023 3.149 -13.567 1.00 50.00 O +ATOM 2195 CB LEU A 135 -8.721 2.621 -11.778 1.00 50.00 C +ATOM 2196 CG LEU A 135 -9.167 1.651 -10.693 1.00 50.00 C +ATOM 2197 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 50.00 C +ATOM 2198 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 50.00 C +ATOM 2199 H LEU A 135 -8.286 3.950 -14.115 1.00 50.00 H +ATOM 2200 HA LEU A 135 -8.480 1.094 -13.270 1.00 50.00 H +ATOM 2201 1HB LEU A 135 -7.671 2.857 -11.610 1.00 50.00 H +ATOM 2202 2HB LEU A 135 -9.300 3.538 -11.671 1.00 50.00 H +ATOM 2203 HG LEU A 135 -10.204 1.363 -10.866 1.00 50.00 H +ATOM 2204 1HD1 LEU A 135 -8.733 -0.309 -9.926 1.00 50.00 H +ATOM 2205 2HD1 LEU A 135 -8.513 -0.140 -11.684 1.00 50.00 H +ATOM 2206 3HD1 LEU A 135 -7.320 0.562 -10.566 1.00 50.00 H +ATOM 2207 1HD2 LEU A 135 -9.370 1.618 -8.561 1.00 50.00 H +ATOM 2208 2HD2 LEU A 135 -8.012 2.601 -9.160 1.00 50.00 H +ATOM 2209 3HD2 LEU A 135 -9.680 3.203 -9.309 1.00 50.00 H +ATOM 2210 N GLN A 136 -10.796 1.005 -14.250 1.00 50.00 N +ATOM 2211 CA GLN A 136 -12.175 0.847 -14.672 1.00 50.00 C +ATOM 2212 C GLN A 136 -13.106 1.176 -13.467 1.00 50.00 C +ATOM 2213 O GLN A 136 -12.832 0.800 -12.321 1.00 50.00 O +ATOM 2214 CB GLN A 136 -12.418 -0.578 -15.249 1.00 50.00 C +ATOM 2215 CG GLN A 136 -13.518 -0.662 -16.307 1.00 50.00 C +ATOM 2216 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.00 C +ATOM 2217 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 50.00 O +ATOM 2218 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 50.00 N +ATOM 2219 H GLN A 136 -10.150 0.240 -14.384 1.00 50.00 H +ATOM 2220 HA GLN A 136 -12.383 1.576 -15.455 1.00 50.00 H +ATOM 2221 1HB GLN A 136 -11.498 -0.950 -15.699 1.00 50.00 H +ATOM 2222 2HB GLN A 136 -12.685 -1.258 -14.440 1.00 50.00 H +ATOM 2223 1HG GLN A 136 -14.474 -0.420 -15.842 1.00 50.00 H +ATOM 2224 2HG GLN A 136 -13.298 0.050 -17.102 1.00 50.00 H +ATOM 2225 1HE2 GLN A 136 -14.348 -3.930 -16.646 1.00 50.00 H +ATOM 2226 2HE2 GLN A 136 -14.499 -2.845 -15.303 1.00 50.00 H +ATOM 2227 N ARG A 137 -14.155 1.948 -13.751 1.00 50.00 N +ATOM 2228 CA ARG A 137 -15.284 2.244 -12.871 1.00 50.00 C +ATOM 2229 C ARG A 137 -15.576 1.230 -11.780 1.00 50.00 C +ATOM 2230 O ARG A 137 -15.502 1.512 -10.576 1.00 50.00 O +ATOM 2231 CB ARG A 137 -16.523 2.317 -13.755 1.00 50.00 C +ATOM 2232 CG ARG A 137 -16.686 3.625 -14.484 1.00 50.00 C +ATOM 2233 CD ARG A 137 -17.939 3.549 -15.320 1.00 50.00 C +ATOM 2234 NE ARG A 137 -18.311 4.883 -15.692 1.00 50.00 N +ATOM 2235 CZ ARG A 137 -19.412 5.200 -16.318 1.00 50.00 C +ATOM 2236 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 50.00 N +ATOM 2237 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 50.00 N +ATOM 2238 H ARG A 137 -14.133 2.352 -14.676 1.00 50.00 H +ATOM 2239 HA ARG A 137 -15.104 3.205 -12.389 1.00 50.00 H +ATOM 2240 1HB ARG A 137 -16.487 1.521 -14.497 1.00 50.00 H +ATOM 2241 2HB ARG A 137 -17.414 2.158 -13.147 1.00 50.00 H +ATOM 2242 1HG ARG A 137 -16.768 4.437 -13.761 1.00 50.00 H +ATOM 2243 2HG ARG A 137 -15.820 3.795 -15.124 1.00 50.00 H +ATOM 2244 1HD ARG A 137 -17.746 2.952 -16.211 1.00 50.00 H +ATOM 2245 2HD ARG A 137 -18.736 3.087 -14.739 1.00 50.00 H +ATOM 2246 HE ARG A 137 -17.675 5.632 -15.453 1.00 50.00 H +ATOM 2247 1HH1 ARG A 137 -20.121 3.314 -16.490 1.00 50.00 H +ATOM 2248 2HH1 ARG A 137 -21.132 4.568 -17.172 1.00 50.00 H +ATOM 2249 1HH2 ARG A 137 -18.967 7.160 -16.268 1.00 50.00 H +ATOM 2250 2HH2 ARG A 137 -20.477 6.741 -17.044 1.00 50.00 H +ATOM 2251 N GLY A 138 -15.919 0.018 -12.221 1.00 50.00 N +ATOM 2252 CA GLY A 138 -16.153 -1.086 -11.331 1.00 50.00 C +ATOM 2253 C GLY A 138 -15.084 -1.198 -10.300 1.00 50.00 C +ATOM 2254 O GLY A 138 -15.335 -1.106 -9.114 1.00 50.00 O +ATOM 2255 H GLY A 138 -16.016 -0.123 -13.216 1.00 50.00 H +ATOM 2256 1HA GLY A 138 -17.118 -0.960 -10.841 1.00 50.00 H +ATOM 2257 2HA GLY A 138 -16.202 -2.011 -11.904 1.00 50.00 H +ATOM 2258 N LEU A 139 -13.850 -1.408 -10.750 1.00 0.00 N +ATOM 2259 CA LEU A 139 -12.792 -1.579 -9.817 1.00 0.00 C +ATOM 2260 C LEU A 139 -12.580 -0.368 -8.964 1.00 0.00 C +ATOM 2261 O LEU A 139 -12.101 -0.513 -7.855 1.00 0.00 O +ATOM 2262 CB LEU A 139 -11.471 -2.027 -10.477 1.00 0.00 C +ATOM 2263 CG LEU A 139 -11.357 -3.528 -10.795 1.00 0.00 C +ATOM 2264 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 0.00 C +ATOM 2265 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 0.00 C +ATOM 2266 H LEU A 139 -13.646 -1.449 -11.738 1.00 0.00 H +ATOM 2267 HA LEU A 139 -13.080 -2.353 -9.106 1.00 0.00 H +ATOM 2268 1HB LEU A 139 -11.347 -1.481 -11.411 1.00 0.00 H +ATOM 2269 2HB LEU A 139 -10.646 -1.766 -9.815 1.00 0.00 H +ATOM 2270 HG LEU A 139 -10.322 -3.771 -11.039 1.00 0.00 H +ATOM 2271 1HD1 LEU A 139 -11.613 -5.425 -9.820 1.00 0.00 H +ATOM 2272 2HD1 LEU A 139 -11.013 -4.127 -8.761 1.00 0.00 H +ATOM 2273 3HD1 LEU A 139 -12.722 -4.151 -9.259 1.00 0.00 H +ATOM 2274 1HD2 LEU A 139 -12.130 -4.987 -12.177 1.00 0.00 H +ATOM 2275 2HD2 LEU A 139 -13.279 -3.696 -11.751 1.00 0.00 H +ATOM 2276 3HD2 LEU A 139 -11.931 -3.357 -12.863 1.00 0.00 H +ATOM 2277 N ILE A 140 -12.864 0.832 -9.483 1.00 50.00 N +ATOM 2278 CA ILE A 140 -12.641 2.001 -8.639 1.00 50.00 C +ATOM 2279 C ILE A 140 -13.682 2.073 -7.553 1.00 50.00 C +ATOM 2280 O ILE A 140 -13.347 2.470 -6.444 1.00 50.00 O +ATOM 2281 CB ILE A 140 -12.456 3.359 -9.353 1.00 50.00 C +ATOM 2282 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 50.00 C +ATOM 2283 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 50.00 C +ATOM 2284 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 50.00 C +ATOM 2285 H ILE A 140 -13.220 0.962 -10.419 1.00 50.00 H +ATOM 2286 HA ILE A 140 -11.725 1.847 -8.070 1.00 50.00 H +ATOM 2287 HB ILE A 140 -11.485 3.381 -9.848 1.00 50.00 H +ATOM 2288 1HG1 ILE A 140 -12.295 5.493 -8.872 1.00 50.00 H +ATOM 2289 2HG1 ILE A 140 -13.375 4.611 -7.803 1.00 50.00 H +ATOM 2290 1HG2 ILE A 140 -13.353 4.555 -10.865 1.00 50.00 H +ATOM 2291 2HG2 ILE A 140 -13.472 2.801 -11.134 1.00 50.00 H +ATOM 2292 3HG2 ILE A 140 -14.496 3.584 -9.908 1.00 50.00 H +ATOM 2293 1HD1 ILE A 140 -11.455 5.455 -6.610 1.00 50.00 H +ATOM 2294 2HD1 ILE A 140 -11.446 3.675 -6.606 1.00 50.00 H +ATOM 2295 3HD1 ILE A 140 -10.352 4.569 -7.688 1.00 50.00 H +ATOM 2296 N ILE A 141 -14.914 1.629 -7.843 1.00 50.00 N +ATOM 2297 CA ILE A 141 -15.867 1.448 -6.766 1.00 50.00 C +ATOM 2298 C ILE A 141 -15.269 0.559 -5.668 1.00 50.00 C +ATOM 2299 O ILE A 141 -15.298 0.917 -4.474 1.00 50.00 O +ATOM 2300 CB ILE A 141 -17.183 0.881 -7.262 1.00 50.00 C +ATOM 2301 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 50.00 C +ATOM 2302 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 50.00 C +ATOM 2303 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 50.00 C +ATOM 2304 H ILE A 141 -15.195 1.418 -8.790 1.00 50.00 H +ATOM 2305 HA ILE A 141 -16.069 2.419 -6.316 1.00 50.00 H +ATOM 2306 HB ILE A 141 -16.990 0.137 -8.034 1.00 50.00 H +ATOM 2307 1HG1 ILE A 141 -17.370 2.335 -8.833 1.00 50.00 H +ATOM 2308 2HG1 ILE A 141 -18.895 1.624 -8.329 1.00 50.00 H +ATOM 2309 1HG2 ILE A 141 -18.897 -0.187 -6.482 1.00 50.00 H +ATOM 2310 2HG2 ILE A 141 -17.357 -0.597 -5.690 1.00 50.00 H +ATOM 2311 3HG2 ILE A 141 -18.158 0.951 -5.330 1.00 50.00 H +ATOM 2312 1HD1 ILE A 141 -18.737 3.959 -7.612 1.00 50.00 H +ATOM 2313 2HD1 ILE A 141 -18.789 2.872 -6.202 1.00 50.00 H +ATOM 2314 3HD1 ILE A 141 -17.245 3.595 -6.714 1.00 50.00 H +ATOM 2315 N PHE A 142 -14.688 -0.574 -6.064 1.00 50.00 N +ATOM 2316 CA PHE A 142 -14.228 -1.521 -5.079 1.00 50.00 C +ATOM 2317 C PHE A 142 -12.992 -0.988 -4.364 1.00 50.00 C +ATOM 2318 O PHE A 142 -12.780 -1.252 -3.152 1.00 50.00 O +ATOM 2319 CB PHE A 142 -14.070 -2.910 -5.697 1.00 50.00 C +ATOM 2320 CG PHE A 142 -15.368 -3.493 -6.188 1.00 50.00 C +ATOM 2321 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 50.00 C +ATOM 2322 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 50.00 C +ATOM 2323 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 50.00 C +ATOM 2324 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 50.00 C +ATOM 2325 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 50.00 C +ATOM 2326 H PHE A 142 -14.563 -0.784 -7.044 1.00 50.00 H +ATOM 2327 HA PHE A 142 -14.970 -1.579 -4.281 1.00 50.00 H +ATOM 2328 1HB PHE A 142 -13.376 -2.858 -6.535 1.00 50.00 H +ATOM 2329 2HB PHE A 142 -13.643 -3.589 -4.960 1.00 50.00 H +ATOM 2330 HD1 PHE A 142 -16.233 -3.663 -4.224 1.00 50.00 H +ATOM 2331 HD2 PHE A 142 -14.829 -3.429 -8.271 1.00 50.00 H +ATOM 2332 HE1 PHE A 142 -18.353 -4.625 -5.028 1.00 50.00 H +ATOM 2333 HE2 PHE A 142 -16.965 -4.380 -9.051 1.00 50.00 H +ATOM 2334 HZ PHE A 142 -18.719 -4.931 -7.445 1.00 50.00 H +ATOM 2335 N ALA A 143 -12.185 -0.190 -5.078 1.00 50.00 N +ATOM 2336 CA ALA A 143 -11.049 0.449 -4.442 1.00 50.00 C +ATOM 2337 C ALA A 143 -11.560 1.433 -3.405 1.00 50.00 C +ATOM 2338 O ALA A 143 -11.096 1.490 -2.250 1.00 50.00 O +ATOM 2339 CB ALA A 143 -10.147 1.164 -5.444 1.00 50.00 C +ATOM 2340 H ALA A 143 -12.356 -0.025 -6.060 1.00 50.00 H +ATOM 2341 HA ALA A 143 -10.457 -0.323 -3.950 1.00 50.00 H +ATOM 2342 1HB ALA A 143 -9.312 1.626 -4.917 1.00 50.00 H +ATOM 2343 2HB ALA A 143 -9.766 0.444 -6.168 1.00 50.00 H +ATOM 2344 3HB ALA A 143 -10.718 1.933 -5.963 1.00 50.00 H +ATOM 2345 N LEU A 144 -12.551 2.211 -3.826 1.00 50.00 N +ATOM 2346 CA LEU A 144 -13.136 3.191 -2.974 1.00 50.00 C +ATOM 2347 C LEU A 144 -13.780 2.566 -1.671 1.00 50.00 C +ATOM 2348 O LEU A 144 -13.589 3.070 -0.559 1.00 50.00 O +ATOM 2349 CB LEU A 144 -14.061 4.037 -3.805 1.00 50.00 C +ATOM 2350 CG LEU A 144 -14.680 5.221 -3.093 1.00 50.00 C +ATOM 2351 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 50.00 C +ATOM 2352 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 50.00 C +ATOM 2353 H LEU A 144 -12.899 2.108 -4.769 1.00 50.00 H +ATOM 2354 HA LEU A 144 -12.340 3.810 -2.561 1.00 50.00 H +ATOM 2355 1HB LEU A 144 -13.508 4.417 -4.662 1.00 50.00 H +ATOM 2356 2HB LEU A 144 -14.872 3.408 -4.172 1.00 50.00 H +ATOM 2357 HG LEU A 144 -15.195 4.877 -2.196 1.00 50.00 H +ATOM 2358 1HD1 LEU A 144 -14.166 7.040 -2.069 1.00 50.00 H +ATOM 2359 2HD1 LEU A 144 -12.993 5.719 -1.858 1.00 50.00 H +ATOM 2360 3HD1 LEU A 144 -13.066 6.606 -3.399 1.00 50.00 H +ATOM 2361 1HD2 LEU A 144 -16.139 6.737 -3.577 1.00 50.00 H +ATOM 2362 2HD2 LEU A 144 -15.145 6.208 -4.956 1.00 50.00 H +ATOM 2363 3HD2 LEU A 144 -16.442 5.157 -4.339 1.00 50.00 H +ATOM 2364 N ILE A 145 -14.499 1.452 -1.821 1.00 50.00 N +ATOM 2365 CA ILE A 145 -15.037 0.727 -0.675 1.00 50.00 C +ATOM 2366 C ILE A 145 -13.898 0.256 0.269 1.00 50.00 C +ATOM 2367 O ILE A 145 -14.020 0.349 1.489 1.00 50.00 O +ATOM 2368 CB ILE A 145 -15.929 -0.457 -1.150 1.00 50.00 C +ATOM 2369 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 50.00 C +ATOM 2370 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 50.00 C +ATOM 2371 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 50.00 C +ATOM 2372 H ILE A 145 -14.675 1.102 -2.752 1.00 50.00 H +ATOM 2373 HA ILE A 145 -15.649 1.412 -0.089 1.00 50.00 H +ATOM 2374 HB ILE A 145 -15.399 -1.029 -1.911 1.00 50.00 H +ATOM 2375 1HG1 ILE A 145 -17.874 0.453 -0.934 1.00 50.00 H +ATOM 2376 2HG1 ILE A 145 -17.059 0.857 -2.437 1.00 50.00 H +ATOM 2377 1HG2 ILE A 145 -16.907 -2.205 -0.407 1.00 50.00 H +ATOM 2378 2HG2 ILE A 145 -15.373 -1.813 0.403 1.00 50.00 H +ATOM 2379 3HG2 ILE A 145 -16.830 -0.852 0.747 1.00 50.00 H +ATOM 2380 1HD1 ILE A 145 -18.968 -0.581 -2.835 1.00 50.00 H +ATOM 2381 2HD1 ILE A 145 -17.455 -1.409 -3.277 1.00 50.00 H +ATOM 2382 3HD1 ILE A 145 -18.283 -1.818 -1.756 1.00 50.00 H +ATOM 2383 N TRP A 146 -12.801 -0.252 -0.310 1.00 0.00 N +ATOM 2384 CA TRP A 146 -11.646 -0.716 0.460 1.00 0.00 C +ATOM 2385 C TRP A 146 -11.077 0.429 1.322 1.00 0.00 C +ATOM 2386 O TRP A 146 -10.792 0.270 2.510 1.00 0.00 O +ATOM 2387 CB TRP A 146 -10.559 -1.281 -0.478 1.00 0.00 C +ATOM 2388 CG TRP A 146 -9.650 -2.244 0.233 1.00 0.00 C +ATOM 2389 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 0.00 C +ATOM 2390 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 0.00 C +ATOM 2391 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 0.00 N +ATOM 2392 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 0.00 C +ATOM 2393 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 0.00 C +ATOM 2394 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 0.00 C +ATOM 2395 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 0.00 C +ATOM 2396 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 0.00 C +ATOM 2397 H TRP A 146 -12.777 -0.314 -1.318 1.00 0.00 H +ATOM 2398 HA TRP A 146 -11.974 -1.511 1.130 1.00 0.00 H +ATOM 2399 1HB TRP A 146 -11.032 -1.789 -1.319 1.00 0.00 H +ATOM 2400 2HB TRP A 146 -9.966 -0.461 -0.883 1.00 0.00 H +ATOM 2401 HD1 TRP A 146 -7.682 -1.271 0.172 1.00 0.00 H +ATOM 2402 HE1 TRP A 146 -6.908 -3.372 1.517 1.00 0.00 H +ATOM 2403 HE3 TRP A 146 -12.174 -3.735 0.420 1.00 0.00 H +ATOM 2404 HZ2 TRP A 146 -8.098 -5.723 2.541 1.00 0.00 H +ATOM 2405 HZ3 TRP A 146 -12.292 -5.906 1.600 1.00 0.00 H +ATOM 2406 HH2 TRP A 146 -10.253 -6.896 2.618 1.00 0.00 H +ATOM 2407 N ILE A 147 -10.983 1.606 0.713 1.00 50.00 N +ATOM 2408 CA ILE A 147 -10.478 2.801 1.385 1.00 50.00 C +ATOM 2409 C ILE A 147 -11.423 3.218 2.511 1.00 50.00 C +ATOM 2410 O ILE A 147 -10.998 3.535 3.591 1.00 50.00 O +ATOM 2411 CB ILE A 147 -10.279 3.943 0.359 1.00 50.00 C +ATOM 2412 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 50.00 C +ATOM 2413 CG2 ILE A 147 -9.966 5.250 1.047 1.00 50.00 C +ATOM 2414 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 50.00 C +ATOM 2415 H ILE A 147 -11.274 1.670 -0.252 1.00 50.00 H +ATOM 2416 HA ILE A 147 -9.516 2.563 1.837 1.00 50.00 H +ATOM 2417 HB ILE A 147 -11.189 4.069 -0.226 1.00 50.00 H +ATOM 2418 1HG1 ILE A 147 -8.183 3.656 -0.095 1.00 50.00 H +ATOM 2419 2HG1 ILE A 147 -9.256 2.580 -0.976 1.00 50.00 H +ATOM 2420 1HG2 ILE A 147 -9.831 6.031 0.299 1.00 50.00 H +ATOM 2421 2HG2 ILE A 147 -10.789 5.519 1.708 1.00 50.00 H +ATOM 2422 3HG2 ILE A 147 -9.051 5.144 1.630 1.00 50.00 H +ATOM 2423 1HD1 ILE A 147 -8.273 4.252 -2.467 1.00 50.00 H +ATOM 2424 2HD1 ILE A 147 -10.037 4.469 -2.357 1.00 50.00 H +ATOM 2425 3HD1 ILE A 147 -8.948 5.559 -1.466 1.00 50.00 H +ATOM 2426 N VAL A 148 -12.730 3.201 2.240 1.00 50.00 N +ATOM 2427 CA VAL A 148 -13.726 3.490 3.265 1.00 50.00 C +ATOM 2428 C VAL A 148 -13.616 2.504 4.445 1.00 50.00 C +ATOM 2429 O VAL A 148 -13.747 2.897 5.608 1.00 50.00 O +ATOM 2430 CB VAL A 148 -15.146 3.473 2.682 1.00 50.00 C +ATOM 2431 CG1 VAL A 148 -16.182 3.654 3.780 1.00 50.00 C +ATOM 2432 CG2 VAL A 148 -15.306 4.596 1.651 1.00 50.00 C +ATOM 2433 H VAL A 148 -13.037 2.983 1.303 1.00 50.00 H +ATOM 2434 HA VAL A 148 -13.532 4.486 3.664 1.00 50.00 H +ATOM 2435 HB VAL A 148 -15.319 2.511 2.200 1.00 50.00 H +ATOM 2436 1HG1 VAL A 148 -17.181 3.638 3.344 1.00 50.00 H +ATOM 2437 2HG1 VAL A 148 -16.090 2.845 4.504 1.00 50.00 H +ATOM 2438 3HG1 VAL A 148 -16.020 4.609 4.279 1.00 50.00 H +ATOM 2439 1HG2 VAL A 148 -16.316 4.574 1.243 1.00 50.00 H +ATOM 2440 2HG2 VAL A 148 -15.128 5.559 2.131 1.00 50.00 H +ATOM 2441 3HG2 VAL A 148 -14.586 4.455 0.844 1.00 50.00 H +ATOM 2442 N ALA A 149 -13.405 1.218 4.138 1.00 50.00 N +ATOM 2443 CA ALA A 149 -13.307 0.181 5.163 1.00 50.00 C +ATOM 2444 C ALA A 149 -12.171 0.538 6.135 1.00 50.00 C +ATOM 2445 O ALA A 149 -12.349 0.513 7.373 1.00 50.00 O +ATOM 2446 CB ALA A 149 -13.016 -1.166 4.532 1.00 50.00 C +ATOM 2447 H ALA A 149 -13.311 0.960 3.166 1.00 50.00 H +ATOM 2448 HA ALA A 149 -14.264 0.126 5.682 1.00 50.00 H +ATOM 2449 1HB ALA A 149 -12.947 -1.925 5.311 1.00 50.00 H +ATOM 2450 2HB ALA A 149 -13.819 -1.426 3.842 1.00 50.00 H +ATOM 2451 3HB ALA A 149 -12.074 -1.117 3.989 1.00 50.00 H +ATOM 2452 N GLY A 150 -11.017 0.867 5.545 1.00 50.00 N +ATOM 2453 CA GLY A 150 -9.818 1.253 6.281 1.00 50.00 C +ATOM 2454 C GLY A 150 -10.058 2.499 7.114 1.00 50.00 C +ATOM 2455 O GLY A 150 -9.734 2.511 8.307 1.00 50.00 O +ATOM 2456 H GLY A 150 -10.988 0.843 4.536 1.00 50.00 H +ATOM 2457 1HA GLY A 150 -9.509 0.433 6.929 1.00 50.00 H +ATOM 2458 2HA GLY A 150 -9.003 1.433 5.580 1.00 50.00 H +ATOM 2459 N TRP A 151 -10.695 3.511 6.517 1.00 50.00 N +ATOM 2460 CA TRP A 151 -10.857 4.782 7.192 1.00 50.00 C +ATOM 2461 C TRP A 151 -11.727 4.646 8.461 1.00 50.00 C +ATOM 2462 O TRP A 151 -11.420 5.164 9.515 1.00 50.00 O +ATOM 2463 CB TRP A 151 -11.453 5.854 6.257 1.00 50.00 C +ATOM 2464 CG TRP A 151 -11.410 7.178 6.914 1.00 50.00 C +ATOM 2465 CD1 TRP A 151 -12.455 7.899 7.436 1.00 50.00 C +ATOM 2466 CD2 TRP A 151 -10.221 7.910 7.226 1.00 50.00 C +ATOM 2467 NE1 TRP A 151 -11.995 9.059 8.007 1.00 50.00 N +ATOM 2468 CE2 TRP A 151 -10.624 9.087 7.908 1.00 50.00 C +ATOM 2469 CE3 TRP A 151 -8.849 7.692 6.983 1.00 50.00 C +ATOM 2470 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 50.00 C +ATOM 2471 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 50.00 C +ATOM 2472 CH2 TRP A 151 -8.365 9.801 8.106 1.00 50.00 C +ATOM 2473 H TRP A 151 -11.070 3.397 5.586 1.00 50.00 H +ATOM 2474 HA TRP A 151 -9.876 5.127 7.519 1.00 50.00 H +ATOM 2475 1HB TRP A 151 -10.888 5.878 5.325 1.00 50.00 H +ATOM 2476 2HB TRP A 151 -12.481 5.590 6.010 1.00 50.00 H +ATOM 2477 HD1 TRP A 151 -13.500 7.595 7.402 1.00 50.00 H +ATOM 2478 HE1 TRP A 151 -12.569 9.775 8.430 1.00 50.00 H +ATOM 2479 HE3 TRP A 151 -8.515 6.798 6.457 1.00 50.00 H +ATOM 2480 HZ2 TRP A 151 -10.004 10.949 8.881 1.00 50.00 H +ATOM 2481 HZ3 TRP A 151 -6.878 8.451 7.243 1.00 50.00 H +ATOM 2482 HH2 TRP A 151 -7.617 10.523 8.436 1.00 50.00 H +ATOM 2483 N PHE A 152 -12.845 3.942 8.336 1.00 50.00 N +ATOM 2484 CA PHE A 152 -13.766 3.769 9.410 1.00 50.00 C +ATOM 2485 C PHE A 152 -13.474 2.486 10.175 1.00 50.00 C +ATOM 2486 O PHE A 152 -14.227 2.111 10.999 1.00 50.00 O +ATOM 2487 CB PHE A 152 -15.189 3.792 8.850 1.00 50.00 C +ATOM 2488 CG PHE A 152 -15.604 5.121 8.347 1.00 50.00 C +ATOM 2489 CD1 PHE A 152 -16.006 6.092 9.221 1.00 50.00 C +ATOM 2490 CD2 PHE A 152 -15.556 5.403 7.001 1.00 50.00 C +ATOM 2491 CE1 PHE A 152 -16.403 7.339 8.762 1.00 50.00 C +ATOM 2492 CE2 PHE A 152 -15.923 6.645 6.522 1.00 50.00 C +ATOM 2493 CZ PHE A 152 -16.365 7.618 7.404 1.00 50.00 C +ATOM 2494 H PHE A 152 -13.045 3.515 7.443 1.00 50.00 H +ATOM 2495 HA PHE A 152 -13.639 4.595 10.111 1.00 50.00 H +ATOM 2496 1HB PHE A 152 -15.270 3.076 8.033 1.00 50.00 H +ATOM 2497 2HB PHE A 152 -15.890 3.485 9.625 1.00 50.00 H +ATOM 2498 HD1 PHE A 152 -16.012 5.877 10.290 1.00 50.00 H +ATOM 2499 HD2 PHE A 152 -15.208 4.634 6.311 1.00 50.00 H +ATOM 2500 HE1 PHE A 152 -16.743 8.096 9.468 1.00 50.00 H +ATOM 2501 HE2 PHE A 152 -15.867 6.862 5.455 1.00 50.00 H +ATOM 2502 HZ PHE A 152 -16.682 8.594 7.038 1.00 50.00 H +ATOM 2503 N ASP A 153 -12.335 1.848 9.912 1.00 50.00 N +ATOM 2504 CA ASP A 153 -11.899 0.657 10.632 1.00 50.00 C +ATOM 2505 C ASP A 153 -12.958 -0.405 10.672 1.00 50.00 C +ATOM 2506 O ASP A 153 -13.323 -0.896 11.726 1.00 50.00 O +ATOM 2507 CB ASP A 153 -11.395 0.924 12.080 1.00 50.00 C +ATOM 2508 CG ASP A 153 -10.542 -0.289 12.632 1.00 50.00 C +ATOM 2509 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 50.00 O +ATOM 2510 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 50.00 O +ATOM 2511 H ASP A 153 -11.753 2.218 9.174 1.00 50.00 H +ATOM 2512 HA ASP A 153 -11.066 0.210 10.089 1.00 50.00 H +ATOM 2513 1HB ASP A 153 -10.787 1.829 12.093 1.00 50.00 H +ATOM 2514 2HB ASP A 153 -12.249 1.094 12.737 1.00 50.00 H +ATOM 2515 N LEU A 154 -13.416 -0.805 9.488 1.00 50.00 N +ATOM 2516 CA LEU A 154 -14.434 -1.827 9.392 1.00 50.00 C +ATOM 2517 C LEU A 154 -13.824 -3.241 9.528 1.00 50.00 C +ATOM 2518 O LEU A 154 -14.517 -4.217 9.470 1.00 50.00 O +ATOM 2519 CB LEU A 154 -15.242 -1.599 8.106 1.00 50.00 C +ATOM 2520 CG LEU A 154 -15.960 -0.234 8.058 1.00 50.00 C +ATOM 2521 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 50.00 C +ATOM 2522 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 50.00 C +ATOM 2523 H LEU A 154 -13.051 -0.393 8.641 1.00 50.00 H +ATOM 2524 HA LEU A 154 -15.093 -1.741 10.255 1.00 50.00 H +ATOM 2525 1HB LEU A 154 -14.567 -1.669 7.255 1.00 50.00 H +ATOM 2526 2HB LEU A 154 -15.987 -2.390 8.019 1.00 50.00 H +ATOM 2527 HG LEU A 154 -15.220 0.566 8.030 1.00 50.00 H +ATOM 2528 1HD1 LEU A 154 -17.274 0.884 6.752 1.00 50.00 H +ATOM 2529 2HD1 LEU A 154 -16.113 -0.162 5.901 1.00 50.00 H +ATOM 2530 3HD1 LEU A 154 -17.526 -0.877 6.712 1.00 50.00 H +ATOM 2531 1HD2 LEU A 154 -17.327 0.949 9.194 1.00 50.00 H +ATOM 2532 2HD2 LEU A 154 -17.596 -0.808 9.304 1.00 50.00 H +ATOM 2533 3HD2 LEU A 154 -16.231 -0.061 10.168 1.00 50.00 H +ATOM 2534 N PHE A 155 -12.525 -3.309 9.806 1.00 0.00 N +ATOM 2535 CA PHE A 155 -11.746 -4.547 9.878 1.00 0.00 C +ATOM 2536 C PHE A 155 -11.427 -4.997 11.287 1.00 0.00 C +ATOM 2537 O PHE A 155 -11.794 -4.318 12.250 1.00 0.00 O +ATOM 2538 CB PHE A 155 -10.426 -4.320 9.177 1.00 0.00 C +ATOM 2539 CG PHE A 155 -10.553 -4.215 7.684 1.00 0.00 C +ATOM 2540 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 0.00 C +ATOM 2541 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 0.00 C +ATOM 2542 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 0.00 C +ATOM 2543 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 0.00 C +ATOM 2544 CZ PHE A 155 -10.716 -4.073 4.905 1.00 0.00 C +ATOM 2545 H PHE A 155 -12.064 -2.427 9.976 1.00 0.00 H +ATOM 2546 HA PHE A 155 -12.301 -5.336 9.368 1.00 0.00 H +ATOM 2547 1HB PHE A 155 -9.970 -3.403 9.548 1.00 0.00 H +ATOM 2548 2HB PHE A 155 -9.746 -5.140 9.407 1.00 0.00 H +ATOM 2549 HD1 PHE A 155 -11.687 -6.033 7.486 1.00 0.00 H +ATOM 2550 HD2 PHE A 155 -9.429 -2.382 7.555 1.00 0.00 H +ATOM 2551 HE1 PHE A 155 -11.842 -5.901 5.025 1.00 0.00 H +ATOM 2552 HE2 PHE A 155 -9.583 -2.250 5.084 1.00 0.00 H +ATOM 2553 HZ PHE A 155 -10.774 -4.017 3.819 1.00 0.00 H +ATOM 2554 N GLY A 156 -10.740 -6.149 11.378 1.00 50.00 N +ATOM 2555 CA GLY A 156 -10.257 -6.725 12.620 1.00 50.00 C +ATOM 2556 C GLY A 156 -9.447 -5.781 13.502 1.00 50.00 C +ATOM 2557 O GLY A 156 -9.929 -5.288 14.496 1.00 50.00 O +ATOM 2558 H GLY A 156 -10.559 -6.631 10.509 1.00 50.00 H +ATOM 2559 1HA GLY A 156 -11.102 -7.082 13.209 1.00 50.00 H +ATOM 2560 2HA GLY A 156 -9.631 -7.589 12.401 1.00 50.00 H +ATOM 2561 N MET A 157 -8.195 -5.541 13.140 1.00 0.00 N +ATOM 2562 CA MET A 157 -7.295 -4.794 13.991 1.00 0.00 C +ATOM 2563 C MET A 157 -7.308 -3.326 13.618 1.00 0.00 C +ATOM 2564 O MET A 157 -7.988 -2.956 12.701 1.00 0.00 O +ATOM 2565 CB MET A 157 -5.887 -5.395 13.950 1.00 0.00 C +ATOM 2566 CG MET A 157 -4.976 -5.076 12.755 1.00 0.00 C +ATOM 2567 SD MET A 157 -3.200 -5.180 13.227 1.00 0.00 S +ATOM 2568 CE MET A 157 -3.108 -6.856 13.896 1.00 0.00 C +ATOM 2569 H MET A 157 -7.860 -5.886 12.252 1.00 0.00 H +ATOM 2570 HA MET A 157 -7.664 -4.846 15.015 1.00 0.00 H +ATOM 2571 1HB MET A 157 -5.330 -5.078 14.831 1.00 0.00 H +ATOM 2572 2HB MET A 157 -5.955 -6.483 13.980 1.00 0.00 H +ATOM 2573 1HG MET A 157 -5.175 -5.780 11.948 1.00 0.00 H +ATOM 2574 2HG MET A 157 -5.192 -4.072 12.391 1.00 0.00 H +ATOM 2575 1HE MET A 157 -2.089 -7.062 14.223 1.00 0.00 H +ATOM 2576 2HE MET A 157 -3.788 -6.947 14.744 1.00 0.00 H +ATOM 2577 3HE MET A 157 -3.393 -7.572 13.124 1.00 0.00 H +ATOM 2578 N SER A 158 -6.545 -2.498 14.343 1.00 0.00 N +ATOM 2579 CA SER A 158 -6.371 -1.095 14.001 1.00 0.00 C +ATOM 2580 C SER A 158 -5.723 -0.875 12.627 1.00 0.00 C +ATOM 2581 O SER A 158 -4.885 -1.651 12.154 1.00 0.00 O +ATOM 2582 CB SER A 158 -5.529 -0.405 15.045 1.00 0.00 C +ATOM 2583 OG SER A 158 -6.104 -0.608 16.289 1.00 0.00 O +ATOM 2584 H SER A 158 -6.075 -2.868 15.157 1.00 0.00 H +ATOM 2585 HA SER A 158 -7.353 -0.621 13.973 1.00 0.00 H +ATOM 2586 1HB SER A 158 -4.516 -0.805 15.018 1.00 0.00 H +ATOM 2587 2HB SER A 158 -5.467 0.658 14.817 1.00 0.00 H +ATOM 2588 HG SER A 158 -6.889 -1.139 16.134 1.00 0.00 H +ATOM 2589 N MET A 159 -6.135 0.208 11.978 1.00 50.00 N +ATOM 2590 CA MET A 159 -5.628 0.524 10.669 1.00 50.00 C +ATOM 2591 C MET A 159 -4.496 1.515 10.854 1.00 50.00 C +ATOM 2592 O MET A 159 -4.519 2.367 11.750 1.00 50.00 O +ATOM 2593 CB MET A 159 -6.747 1.108 9.785 1.00 50.00 C +ATOM 2594 CG MET A 159 -7.821 0.094 9.403 1.00 50.00 C +ATOM 2595 SD MET A 159 -7.276 -1.103 8.187 1.00 50.00 S +ATOM 2596 CE MET A 159 -7.001 -2.502 9.295 1.00 50.00 C +ATOM 2597 H MET A 159 -6.814 0.823 12.404 1.00 50.00 H +ATOM 2598 HA MET A 159 -5.263 -0.394 10.209 1.00 50.00 H +ATOM 2599 1HB MET A 159 -7.229 1.934 10.307 1.00 50.00 H +ATOM 2600 2HB MET A 159 -6.314 1.508 8.867 1.00 50.00 H +ATOM 2601 1HG MET A 159 -8.140 -0.450 10.291 1.00 50.00 H +ATOM 2602 2HG MET A 159 -8.686 0.617 8.995 1.00 50.00 H +ATOM 2603 1HE MET A 159 -6.653 -3.360 8.719 1.00 50.00 H +ATOM 2604 2HE MET A 159 -6.250 -2.235 10.039 1.00 50.00 H +ATOM 2605 3HE MET A 159 -7.935 -2.757 9.797 1.00 50.00 H +ATOM 2606 N ALA A 160 -3.485 1.401 9.999 1.00 0.00 N +ATOM 2607 CA ALA A 160 -2.406 2.381 9.974 1.00 0.00 C +ATOM 2608 C ALA A 160 -2.959 3.535 9.142 1.00 0.00 C +ATOM 2609 O ALA A 160 -2.833 3.536 7.930 1.00 0.00 O +ATOM 2610 CB ALA A 160 -1.156 1.737 9.346 1.00 0.00 C +ATOM 2611 H ALA A 160 -3.459 0.624 9.354 1.00 0.00 H +ATOM 2612 HA ALA A 160 -2.189 2.672 11.002 1.00 0.00 H +ATOM 2613 1HB ALA A 160 -0.344 2.464 9.324 1.00 0.00 H +ATOM 2614 2HB ALA A 160 -0.854 0.874 9.940 1.00 0.00 H +ATOM 2615 3HB ALA A 160 -1.383 1.417 8.331 1.00 0.00 H +ATOM 2616 N ASN A 161 -3.614 4.493 9.809 1.00 50.00 N +ATOM 2617 CA ASN A 161 -4.286 5.599 9.124 1.00 50.00 C +ATOM 2618 C ASN A 161 -3.297 6.549 8.468 1.00 50.00 C +ATOM 2619 O ASN A 161 -3.558 7.059 7.379 1.00 50.00 O +ATOM 2620 CB ASN A 161 -5.192 6.407 10.040 1.00 50.00 C +ATOM 2621 CG ASN A 161 -6.348 5.587 10.588 1.00 50.00 C +ATOM 2622 OD1 ASN A 161 -6.556 5.549 11.794 1.00 50.00 O +ATOM 2623 ND2 ASN A 161 -7.100 4.933 9.716 1.00 50.00 N +ATOM 2624 H ASN A 161 -3.644 4.448 10.818 1.00 50.00 H +ATOM 2625 HA ASN A 161 -4.911 5.186 8.330 1.00 50.00 H +ATOM 2626 1HB ASN A 161 -4.610 6.798 10.876 1.00 50.00 H +ATOM 2627 2HB ASN A 161 -5.594 7.261 9.494 1.00 50.00 H +ATOM 2628 1HD2 ASN A 161 -7.871 4.381 10.035 1.00 50.00 H +ATOM 2629 2HD2 ASN A 161 -6.897 4.990 8.739 1.00 50.00 H +ATOM 2630 N GLY A 162 -2.137 6.713 9.104 1.00 50.00 N +ATOM 2631 CA GLY A 162 -1.098 7.569 8.572 1.00 50.00 C +ATOM 2632 C GLY A 162 -0.483 6.960 7.346 1.00 50.00 C +ATOM 2633 O GLY A 162 -0.307 7.640 6.369 1.00 50.00 O +ATOM 2634 H GLY A 162 -1.978 6.230 9.977 1.00 50.00 H +ATOM 2635 1HA GLY A 162 -1.519 8.545 8.331 1.00 50.00 H +ATOM 2636 2HA GLY A 162 -0.333 7.728 9.331 1.00 50.00 H +ATOM 2637 N ALA A 163 -0.142 5.670 7.407 1.00 0.00 N +ATOM 2638 CA ALA A 163 0.360 4.971 6.235 1.00 0.00 C +ATOM 2639 C ALA A 163 -0.648 5.068 5.086 1.00 0.00 C +ATOM 2640 O ALA A 163 -0.240 5.148 3.929 1.00 0.00 O +ATOM 2641 CB ALA A 163 0.673 3.503 6.522 1.00 0.00 C +ATOM 2642 H ALA A 163 -0.232 5.167 8.278 1.00 0.00 H +ATOM 2643 HA ALA A 163 1.285 5.456 5.922 1.00 0.00 H +ATOM 2644 1HB ALA A 163 1.044 3.026 5.615 1.00 0.00 H +ATOM 2645 2HB ALA A 163 1.431 3.438 7.302 1.00 0.00 H +ATOM 2646 3HB ALA A 163 -0.232 2.996 6.853 1.00 0.00 H +ATOM 2647 N HIS A 164 -1.954 4.972 5.388 1.00 50.00 N +ATOM 2648 CA HIS A 164 -2.962 4.972 4.315 1.00 50.00 C +ATOM 2649 C HIS A 164 -3.030 6.313 3.605 1.00 50.00 C +ATOM 2650 O HIS A 164 -3.048 6.360 2.365 1.00 50.00 O +ATOM 2651 CB HIS A 164 -4.338 4.562 4.811 1.00 50.00 C +ATOM 2652 CG HIS A 164 -4.472 3.093 5.043 1.00 50.00 C +ATOM 2653 ND1 HIS A 164 -5.403 2.558 5.903 1.00 50.00 N +ATOM 2654 CD2 HIS A 164 -3.773 2.046 4.552 1.00 50.00 C +ATOM 2655 CE1 HIS A 164 -5.309 1.243 5.893 1.00 50.00 C +ATOM 2656 NE2 HIS A 164 -4.313 0.903 5.097 1.00 50.00 N +ATOM 2657 H HIS A 164 -2.258 4.899 6.348 1.00 50.00 H +ATOM 2658 HA HIS A 164 -2.673 4.258 3.544 1.00 50.00 H +ATOM 2659 1HB HIS A 164 -4.557 5.079 5.746 1.00 50.00 H +ATOM 2660 2HB HIS A 164 -5.092 4.865 4.085 1.00 50.00 H +ATOM 2661 HD2 HIS A 164 -2.936 2.098 3.855 1.00 50.00 H +ATOM 2662 HE1 HIS A 164 -5.946 0.554 6.448 1.00 50.00 H +ATOM 2663 HE2 HIS A 164 -3.997 -0.039 4.915 1.00 50.00 H +ATOM 2664 N ILE A 165 -3.075 7.392 4.402 1.00 50.00 N +ATOM 2665 CA ILE A 165 -3.234 8.732 3.892 1.00 50.00 C +ATOM 2666 C ILE A 165 -1.969 9.076 3.096 1.00 50.00 C +ATOM 2667 O ILE A 165 -2.045 9.587 2.001 1.00 50.00 O +ATOM 2668 CB ILE A 165 -3.398 9.793 5.002 1.00 50.00 C +ATOM 2669 CG1 ILE A 165 -4.588 9.508 5.895 1.00 50.00 C +ATOM 2670 CG2 ILE A 165 -3.607 11.173 4.390 1.00 50.00 C +ATOM 2671 CD1 ILE A 165 -4.474 10.177 7.266 1.00 50.00 C +ATOM 2672 H ILE A 165 -2.993 7.251 5.399 1.00 50.00 H +ATOM 2673 HA ILE A 165 -4.134 8.764 3.279 1.00 50.00 H +ATOM 2674 HB ILE A 165 -2.502 9.812 5.622 1.00 50.00 H +ATOM 2675 1HG1 ILE A 165 -5.499 9.856 5.409 1.00 50.00 H +ATOM 2676 2HG1 ILE A 165 -4.686 8.432 6.038 1.00 50.00 H +ATOM 2677 1HG2 ILE A 165 -3.722 11.910 5.185 1.00 50.00 H +ATOM 2678 2HG2 ILE A 165 -2.746 11.433 3.776 1.00 50.00 H +ATOM 2679 3HG2 ILE A 165 -4.504 11.164 3.771 1.00 50.00 H +ATOM 2680 1HD1 ILE A 165 -5.355 9.937 7.862 1.00 50.00 H +ATOM 2681 2HD1 ILE A 165 -3.581 9.813 7.775 1.00 50.00 H +ATOM 2682 3HD1 ILE A 165 -4.406 11.256 7.139 1.00 50.00 H +ATOM 2683 N ALA A 166 -0.802 8.779 3.667 1.00 50.00 N +ATOM 2684 CA ALA A 166 0.456 9.081 3.024 1.00 50.00 C +ATOM 2685 C ALA A 166 0.659 8.323 1.668 1.00 50.00 C +ATOM 2686 O ALA A 166 1.104 8.904 0.678 1.00 50.00 O +ATOM 2687 CB ALA A 166 1.569 8.815 3.990 1.00 50.00 C +ATOM 2688 H ALA A 166 -0.797 8.331 4.572 1.00 50.00 H +ATOM 2689 HA ALA A 166 0.452 10.136 2.751 1.00 50.00 H +ATOM 2690 1HB ALA A 166 2.524 9.040 3.515 1.00 50.00 H +ATOM 2691 2HB ALA A 166 1.445 9.445 4.871 1.00 50.00 H +ATOM 2692 3HB ALA A 166 1.550 7.768 4.288 1.00 50.00 H +ATOM 2693 N GLY A 167 0.280 7.051 1.631 1.00 0.00 N +ATOM 2694 CA GLY A 167 0.435 6.201 0.463 1.00 0.00 C +ATOM 2695 C GLY A 167 -0.471 6.718 -0.639 1.00 0.00 C +ATOM 2696 O GLY A 167 -0.028 6.930 -1.761 1.00 0.00 O +ATOM 2697 H GLY A 167 -0.137 6.667 2.467 1.00 0.00 H +ATOM 2698 1HA GLY A 167 1.478 6.206 0.145 1.00 0.00 H +ATOM 2699 2HA GLY A 167 0.184 5.174 0.725 1.00 0.00 H +ATOM 2700 N LEU A 168 -1.735 6.988 -0.293 1.00 50.00 N +ATOM 2701 CA LEU A 168 -2.701 7.520 -1.267 1.00 50.00 C +ATOM 2702 C LEU A 168 -2.168 8.838 -1.858 1.00 50.00 C +ATOM 2703 O LEU A 168 -2.167 9.000 -3.064 1.00 50.00 O +ATOM 2704 CB LEU A 168 -4.070 7.765 -0.624 1.00 50.00 C +ATOM 2705 CG LEU A 168 -5.219 8.274 -1.514 1.00 50.00 C +ATOM 2706 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 50.00 C +ATOM 2707 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 50.00 C +ATOM 2708 H LEU A 168 -2.035 6.824 0.657 1.00 50.00 H +ATOM 2709 HA LEU A 168 -2.827 6.788 -2.064 1.00 50.00 H +ATOM 2710 1HB LEU A 168 -4.418 6.833 -0.182 1.00 50.00 H +ATOM 2711 2HB LEU A 168 -3.953 8.500 0.173 1.00 50.00 H +ATOM 2712 HG LEU A 168 -4.970 9.263 -1.900 1.00 50.00 H +ATOM 2713 1HD1 LEU A 168 -6.262 7.749 -3.322 1.00 50.00 H +ATOM 2714 2HD1 LEU A 168 -4.536 7.318 -3.317 1.00 50.00 H +ATOM 2715 3HD1 LEU A 168 -5.696 6.358 -2.369 1.00 50.00 H +ATOM 2716 1HD2 LEU A 168 -7.307 8.702 -1.267 1.00 50.00 H +ATOM 2717 2HD2 LEU A 168 -6.708 7.350 -0.276 1.00 50.00 H +ATOM 2718 3HD2 LEU A 168 -6.312 9.026 0.173 1.00 50.00 H +ATOM 2719 N ALA A 169 -1.717 9.749 -0.982 1.00 50.00 N +ATOM 2720 CA ALA A 169 -1.131 11.022 -1.377 1.00 50.00 C +ATOM 2721 C ALA A 169 0.033 10.863 -2.354 1.00 50.00 C +ATOM 2722 O ALA A 169 0.116 11.572 -3.331 1.00 50.00 O +ATOM 2723 CB ALA A 169 -0.661 11.793 -0.152 1.00 50.00 C +ATOM 2724 H ALA A 169 -1.794 9.527 0.000 1.00 50.00 H +ATOM 2725 HA ALA A 169 -1.898 11.604 -1.887 1.00 50.00 H +ATOM 2726 1HB ALA A 169 -0.225 12.742 -0.464 1.00 50.00 H +ATOM 2727 2HB ALA A 169 -1.509 11.982 0.506 1.00 50.00 H +ATOM 2728 3HB ALA A 169 0.088 11.208 0.380 1.00 50.00 H +ATOM 2729 N VAL A 170 0.955 9.951 -2.037 1.00 50.00 N +ATOM 2730 CA VAL A 170 2.119 9.696 -2.880 1.00 50.00 C +ATOM 2731 C VAL A 170 1.691 9.257 -4.301 1.00 50.00 C +ATOM 2732 O VAL A 170 2.221 9.741 -5.288 1.00 50.00 O +ATOM 2733 CB VAL A 170 3.017 8.622 -2.247 1.00 50.00 C +ATOM 2734 CG1 VAL A 170 3.960 8.002 -3.261 1.00 50.00 C +ATOM 2735 CG2 VAL A 170 3.820 9.214 -1.141 1.00 50.00 C +ATOM 2736 H VAL A 170 0.840 9.422 -1.184 1.00 50.00 H +ATOM 2737 HA VAL A 170 2.691 10.620 -2.969 1.00 50.00 H +ATOM 2738 HB VAL A 170 2.389 7.823 -1.852 1.00 50.00 H +ATOM 2739 1HG1 VAL A 170 4.576 7.248 -2.771 1.00 50.00 H +ATOM 2740 2HG1 VAL A 170 3.381 7.535 -4.058 1.00 50.00 H +ATOM 2741 3HG1 VAL A 170 4.601 8.776 -3.682 1.00 50.00 H +ATOM 2742 1HG2 VAL A 170 4.452 8.445 -0.699 1.00 50.00 H +ATOM 2743 2HG2 VAL A 170 4.445 10.016 -1.534 1.00 50.00 H +ATOM 2744 3HG2 VAL A 170 3.151 9.615 -0.380 1.00 50.00 H +ATOM 2745 N GLY A 171 0.730 8.339 -4.368 1.00 50.00 N +ATOM 2746 CA GLY A 171 0.199 7.825 -5.611 1.00 50.00 C +ATOM 2747 C GLY A 171 -0.396 8.933 -6.476 1.00 50.00 C +ATOM 2748 O GLY A 171 -0.097 9.063 -7.661 1.00 50.00 O +ATOM 2749 H GLY A 171 0.361 7.992 -3.494 1.00 50.00 H +ATOM 2750 1HA GLY A 171 0.991 7.321 -6.164 1.00 50.00 H +ATOM 2751 2HA GLY A 171 -0.568 7.081 -5.399 1.00 50.00 H +ATOM 2752 N LEU A 172 -1.284 9.718 -5.871 1.00 50.00 N +ATOM 2753 CA LEU A 172 -1.940 10.825 -6.557 1.00 50.00 C +ATOM 2754 C LEU A 172 -0.907 11.807 -7.105 1.00 50.00 C +ATOM 2755 O LEU A 172 -1.006 12.257 -8.239 1.00 50.00 O +ATOM 2756 CB LEU A 172 -2.913 11.543 -5.630 1.00 50.00 C +ATOM 2757 CG LEU A 172 -4.134 10.684 -5.230 1.00 50.00 C +ATOM 2758 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 50.00 C +ATOM 2759 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 50.00 C +ATOM 2760 H LEU A 172 -1.508 9.537 -4.903 1.00 50.00 H +ATOM 2761 HA LEU A 172 -2.501 10.425 -7.401 1.00 50.00 H +ATOM 2762 1HB LEU A 172 -2.380 11.837 -4.727 1.00 50.00 H +ATOM 2763 2HB LEU A 172 -3.266 12.445 -6.129 1.00 50.00 H +ATOM 2764 HG LEU A 172 -3.800 9.826 -4.646 1.00 50.00 H +ATOM 2765 1HD1 LEU A 172 -5.881 10.859 -3.985 1.00 50.00 H +ATOM 2766 2HD1 LEU A 172 -4.451 11.722 -3.371 1.00 50.00 H +ATOM 2767 3HD1 LEU A 172 -5.366 12.381 -4.748 1.00 50.00 H +ATOM 2768 1HD2 LEU A 172 -5.790 9.529 -5.965 1.00 50.00 H +ATOM 2769 2HD2 LEU A 172 -5.360 10.927 -6.978 1.00 50.00 H +ATOM 2770 3HD2 LEU A 172 -4.337 9.470 -6.991 1.00 50.00 H +ATOM 2771 N ALA A 173 0.105 12.102 -6.290 1.00 50.00 N +ATOM 2772 CA ALA A 173 1.120 13.098 -6.590 1.00 50.00 C +ATOM 2773 C ALA A 173 2.049 12.659 -7.718 1.00 50.00 C +ATOM 2774 O ALA A 173 2.448 13.462 -8.534 1.00 50.00 O +ATOM 2775 CB ALA A 173 1.927 13.427 -5.324 1.00 50.00 C +ATOM 2776 H ALA A 173 0.155 11.596 -5.418 1.00 50.00 H +ATOM 2777 HA ALA A 173 0.617 14.001 -6.935 1.00 50.00 H +ATOM 2778 1HB ALA A 173 2.685 14.174 -5.560 1.00 50.00 H +ATOM 2779 2HB ALA A 173 1.258 13.818 -4.557 1.00 50.00 H +ATOM 2780 3HB ALA A 173 2.411 12.524 -4.956 1.00 50.00 H +ATOM 2781 N MET A 174 2.450 11.384 -7.699 1.00 50.00 N +ATOM 2782 CA MET A 174 3.257 10.843 -8.771 1.00 50.00 C +ATOM 2783 C MET A 174 2.483 10.786 -10.093 1.00 50.00 C +ATOM 2784 O MET A 174 3.070 11.003 -11.185 1.00 50.00 O +ATOM 2785 CB MET A 174 3.817 9.479 -8.401 1.00 50.00 C +ATOM 2786 CG MET A 174 4.944 9.555 -7.368 1.00 50.00 C +ATOM 2787 SD MET A 174 5.480 7.886 -6.889 1.00 50.00 S +ATOM 2788 CE MET A 174 6.715 7.576 -8.183 1.00 50.00 C +ATOM 2789 H MET A 174 2.190 10.785 -6.929 1.00 50.00 H +ATOM 2790 HA MET A 174 4.093 11.519 -8.950 1.00 50.00 H +ATOM 2791 1HB MET A 174 3.020 8.855 -8.000 1.00 50.00 H +ATOM 2792 2HB MET A 174 4.199 8.987 -9.297 1.00 50.00 H +ATOM 2793 1HG MET A 174 5.787 10.103 -7.789 1.00 50.00 H +ATOM 2794 2HG MET A 174 4.594 10.093 -6.487 1.00 50.00 H +ATOM 2795 1HE MET A 174 7.150 6.586 -8.041 1.00 50.00 H +ATOM 2796 2HE MET A 174 6.237 7.627 -9.162 1.00 50.00 H +ATOM 2797 3HE MET A 174 7.501 8.329 -8.124 1.00 50.00 H +ATOM 2798 N ALA A 175 1.175 10.496 -9.994 1.00 50.00 N +ATOM 2799 CA ALA A 175 0.289 10.461 -11.160 1.00 50.00 C +ATOM 2800 C ALA A 175 0.208 11.844 -11.806 1.00 50.00 C +ATOM 2801 O ALA A 175 0.298 11.967 -13.006 1.00 50.00 O +ATOM 2802 CB ALA A 175 -1.103 9.939 -10.783 1.00 50.00 C +ATOM 2803 H ALA A 175 0.794 10.296 -9.080 1.00 50.00 H +ATOM 2804 HA ALA A 175 0.724 9.785 -11.896 1.00 50.00 H +ATOM 2805 1HB ALA A 175 -1.738 9.924 -11.669 1.00 50.00 H +ATOM 2806 2HB ALA A 175 -1.017 8.929 -10.382 1.00 50.00 H +ATOM 2807 3HB ALA A 175 -1.544 10.591 -10.031 1.00 50.00 H +ATOM 2808 N PHE A 176 0.047 12.864 -10.960 1.00 50.00 N +ATOM 2809 CA PHE A 176 0.036 14.276 -11.317 1.00 50.00 C +ATOM 2810 C PHE A 176 1.318 14.675 -12.027 1.00 50.00 C +ATOM 2811 O PHE A 176 1.289 15.249 -13.130 1.00 50.00 O +ATOM 2812 CB PHE A 176 -0.145 15.139 -10.051 1.00 50.00 C +ATOM 2813 CG PHE A 176 -0.205 16.590 -10.335 1.00 50.00 C +ATOM 2814 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 50.00 C +ATOM 2815 CD2 PHE A 176 0.954 17.344 -10.394 1.00 50.00 C +ATOM 2816 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 50.00 C +ATOM 2817 CE2 PHE A 176 0.912 18.687 -10.709 1.00 50.00 C +ATOM 2818 CZ PHE A 176 -0.297 19.280 -10.968 1.00 50.00 C +ATOM 2819 H PHE A 176 -0.076 12.600 -9.993 1.00 50.00 H +ATOM 2820 HA PHE A 176 -0.803 14.456 -11.990 1.00 50.00 H +ATOM 2821 1HB PHE A 176 -1.063 14.849 -9.542 1.00 50.00 H +ATOM 2822 2HB PHE A 176 0.681 14.956 -9.365 1.00 50.00 H +ATOM 2823 HD1 PHE A 176 -2.326 16.606 -10.559 1.00 50.00 H +ATOM 2824 HD2 PHE A 176 1.910 16.863 -10.187 1.00 50.00 H +ATOM 2825 HE1 PHE A 176 -2.419 19.012 -11.116 1.00 50.00 H +ATOM 2826 HE2 PHE A 176 1.828 19.276 -10.754 1.00 50.00 H +ATOM 2827 HZ PHE A 176 -0.339 20.339 -11.219 1.00 50.00 H +ATOM 2828 N VAL A 177 2.449 14.361 -11.392 1.00 50.00 N +ATOM 2829 CA VAL A 177 3.751 14.659 -11.950 1.00 50.00 C +ATOM 2830 C VAL A 177 3.918 13.947 -13.293 1.00 50.00 C +ATOM 2831 O VAL A 177 4.266 14.572 -14.237 1.00 50.00 O +ATOM 2832 CB VAL A 177 4.904 14.287 -10.964 1.00 50.00 C +ATOM 2833 CG1 VAL A 177 6.283 14.323 -11.664 1.00 50.00 C +ATOM 2834 CG2 VAL A 177 4.866 15.206 -9.722 1.00 50.00 C +ATOM 2835 H VAL A 177 2.392 13.901 -10.495 1.00 50.00 H +ATOM 2836 HA VAL A 177 3.807 15.731 -12.145 1.00 50.00 H +ATOM 2837 HB VAL A 177 4.780 13.251 -10.649 1.00 50.00 H +ATOM 2838 1HG1 VAL A 177 7.062 14.059 -10.948 1.00 50.00 H +ATOM 2839 2HG1 VAL A 177 6.291 13.610 -12.488 1.00 50.00 H +ATOM 2840 3HG1 VAL A 177 6.470 15.326 -12.048 1.00 50.00 H +ATOM 2841 1HG2 VAL A 177 5.674 14.935 -9.044 1.00 50.00 H +ATOM 2842 2HG2 VAL A 177 4.986 16.244 -10.033 1.00 50.00 H +ATOM 2843 3HG2 VAL A 177 3.910 15.089 -9.212 1.00 50.00 H +ATOM 2844 N ASP A 178 3.626 12.642 -13.351 1.00 0.00 N +ATOM 2845 CA ASP A 178 3.724 11.882 -14.603 1.00 0.00 C +ATOM 2846 C ASP A 178 2.777 12.360 -15.713 1.00 0.00 C +ATOM 2847 O ASP A 178 3.075 12.171 -16.888 1.00 0.00 O +ATOM 2848 CB ASP A 178 3.508 10.415 -14.390 1.00 0.00 C +ATOM 2849 CG ASP A 178 4.590 9.782 -13.555 1.00 0.00 C +ATOM 2850 OD1 ASP A 178 5.587 10.477 -13.265 1.00 0.00 O +ATOM 2851 OD2 ASP A 178 4.472 8.566 -13.203 1.00 0.00 O +ATOM 2852 H ASP A 178 3.330 12.168 -12.510 1.00 0.00 H +ATOM 2853 HA ASP A 178 4.726 12.017 -15.012 1.00 0.00 H +ATOM 2854 1HB ASP A 178 2.548 10.256 -13.898 1.00 0.00 H +ATOM 2855 2HB ASP A 178 3.469 9.909 -15.355 1.00 0.00 H +ATOM 2856 N SER A 179 1.678 13.015 -15.327 1.00 0.00 N +ATOM 2857 CA SER A 179 0.683 13.546 -16.256 1.00 0.00 C +ATOM 2858 C SER A 179 1.072 14.882 -16.866 1.00 0.00 C +ATOM 2859 O SER A 179 0.413 15.364 -17.811 1.00 0.00 O +ATOM 2860 CB SER A 179 -0.626 13.768 -15.528 1.00 0.00 C +ATOM 2861 OG SER A 179 -1.203 12.544 -15.166 1.00 0.00 O +ATOM 2862 H SER A 179 1.542 13.142 -14.334 1.00 0.00 H +ATOM 2863 HA SER A 179 0.528 12.816 -17.052 1.00 0.00 H +ATOM 2864 1HB SER A 179 -0.449 14.371 -14.638 1.00 0.00 H +ATOM 2865 2HB SER A 179 -1.309 14.323 -16.169 1.00 0.00 H +ATOM 2866 HG SER A 179 -0.603 11.865 -15.482 1.00 0.00 H +ATOM 2867 N LEU A 180 2.094 15.532 -16.302 1.00 0.00 N +ATOM 2868 CA LEU A 180 2.521 16.803 -16.854 1.00 0.00 C +ATOM 2869 C LEU A 180 3.243 16.561 -18.193 1.00 0.00 C +ATOM 2870 O LEU A 180 3.097 17.366 -19.140 1.00 0.00 O +ATOM 2871 CB LEU A 180 3.351 17.583 -15.842 1.00 0.00 C +ATOM 2872 CG LEU A 180 2.555 18.129 -14.659 1.00 0.00 C +ATOM 2873 CD1 LEU A 180 3.509 18.829 -13.712 1.00 0.00 C +ATOM 2874 CD2 LEU A 180 1.468 19.087 -15.103 1.00 0.00 C +ATOM 2875 H LEU A 180 2.577 15.158 -15.498 1.00 0.00 H +ATOM 2876 HA LEU A 180 1.636 17.389 -17.098 1.00 0.00 H +ATOM 2877 1HB LEU A 180 4.133 16.930 -15.457 1.00 0.00 H +ATOM 2878 2HB LEU A 180 3.825 18.421 -16.353 1.00 0.00 H +ATOM 2879 HG LEU A 180 2.084 17.303 -14.125 1.00 0.00 H +ATOM 2880 1HD1 LEU A 180 2.953 19.224 -12.862 1.00 0.00 H +ATOM 2881 2HD1 LEU A 180 4.256 18.119 -13.358 1.00 0.00 H +ATOM 2882 3HD1 LEU A 180 4.004 19.648 -14.233 1.00 0.00 H +ATOM 2883 1HD2 LEU A 180 0.925 19.451 -14.230 1.00 0.00 H +ATOM 2884 2HD2 LEU A 180 1.918 19.930 -15.628 1.00 0.00 H +ATOM 2885 3HD2 LEU A 180 0.778 18.570 -15.770 1.00 0.00 H +ATOM 2886 N ASN A 181 3.963 15.430 -18.274 1.00 0.00 N +ATOM 2887 CA ASN A 181 4.622 14.971 -19.503 1.00 0.00 C +ATOM 2888 C ASN A 181 3.604 14.497 -20.571 1.00 0.00 C +ATOM 2889 O ASN A 181 2.739 13.640 -20.287 1.00 0.00 O +ATOM 2890 CB ASN A 181 5.610 13.821 -19.220 1.00 0.00 C +ATOM 2891 CG ASN A 181 6.557 14.105 -18.047 1.00 0.00 C +ATOM 2892 OD1 ASN A 181 7.634 14.688 -18.216 1.00 0.00 O +ATOM 2893 ND2 ASN A 181 6.169 13.654 -16.856 1.00 0.00 N +ATOM 2894 H ASN A 181 4.047 14.875 -17.434 1.00 0.00 H +ATOM 2895 HA ASN A 181 5.184 15.805 -19.927 1.00 0.00 H +ATOM 2896 1HB ASN A 181 5.054 12.909 -19.000 1.00 0.00 H +ATOM 2897 2HB ASN A 181 6.211 13.631 -20.109 1.00 0.00 H +ATOM 2898 1HD2 ASN A 181 6.744 13.808 -16.051 1.00 0.00 H +ATOM 2899 2HD2 ASN A 181 5.304 13.162 -16.766 1.00 0.00 H +ATOM 2900 N ALA A 182 3.729 15.061 -21.787 1.00 0.00 N +ATOM 2901 CA ALA A 182 2.857 14.797 -22.944 1.00 0.00 C +ATOM 2902 C ALA A 182 1.371 14.797 -22.585 1.00 0.00 C +ATOM 2903 O ALA A 182 0.928 15.573 -21.737 1.00 0.00 O +ATOM 2904 OXT ALA A 182 0.622 14.035 -23.131 1.00 0.00 O +ATOM 2905 CB ALA A 182 3.241 13.491 -23.630 1.00 0.00 C +ATOM 2906 H ALA A 182 4.492 15.715 -21.885 1.00 0.00 H +ATOM 2907 HA ALA A 182 2.982 15.613 -23.655 1.00 0.00 H +ATOM 2908 1HB ALA A 182 2.582 13.320 -24.481 1.00 0.00 H +ATOM 2909 2HB ALA A 182 4.273 13.552 -23.977 1.00 0.00 H +ATOM 2910 3HB ALA A 182 3.144 12.668 -22.924 1.00 0.00 H TER HETATM 2912 THKN MEM B 183 15.000 0.000 0.000 1.00 0.00 X HETATM 2913 CNTR MEM B 183 0.000 0.000 0.000 1.00 0.00 X diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat index 2ac3272..37e12fa 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/mp_lipid_acc/input_A_DLPC_ellipse.dat @@ -2,7 +2,7 @@ ellipse_no z_loc h k a b r00 r01 r10 r11 1 -15 0 0 1 1 1 0 0 1 2 -10 0 0 1 1 1 0 0 1 3 -5 0 0 1 1 1 0 0 1 -4 0 -1.35975 -1.59845 13.767 11.3682 0.895604 0.444852 -0.444852 0.895604 -5 5 0.257356 -3.967 14.3698 11.7764 0.819257 0.573426 -0.573426 0.819257 +4 0 -1.36092 -1.59768 13.7677 11.3668 0.895807 0.444444 -0.444444 0.895807 +5 5 0.257674 -3.97139 14.3687 11.7755 -0.819715 -0.572771 0.572771 -0.819715 6 10 0 0 1 1 1 0 0 1 7 15 0 0 1 1 1 0 0 1 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pdb index 4ec0bf8..55fad25 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pdb @@ -1,1494 +1,1492 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N AGLN A 27 6.107 -11.006 16.338 0.57 9.65 N -ATOM 198 N BGLN A 27 6.082 -10.958 16.343 0.43 7.76 N -ATOM 199 CA AGLN A 27 6.937 -10.027 17.036 0.57 10.93 C -ATOM 200 CA BGLN A 27 6.988 -10.016 16.987 0.43 7.64 C -ATOM 201 CB AGLN A 27 6.497 -9.760 18.507 0.57 12.23 C -ATOM 202 CB BGLN A 27 6.882 -9.972 18.502 0.43 6.67 C -ATOM 203 CG AGLN A 27 5.760 -10.828 19.332 0.57 14.65 C -ATOM 204 CG BGLN A 27 7.877 -8.940 18.985 0.43 6.35 C -ATOM 205 CD AGLN A 27 4.538 -11.482 18.682 0.57 13.37 C -ATOM 206 CD BGLN A 27 7.397 -8.071 20.119 0.43 5.63 C -ATOM 207 OE1AGLN A 27 4.547 -12.668 18.437 0.57 10.98 O -ATOM 208 OE1BGLN A 27 6.471 -8.423 20.843 0.43 5.20 O -ATOM 209 NE2AGLN A 27 3.489 -10.710 18.418 0.57 18.13 N -ATOM 210 NE2BGLN A 27 8.074 -6.950 20.310 0.43 5.25 N -ATOM 211 C AGLN A 27 8.457 -10.307 16.841 0.57 10.39 C -ATOM 212 C BGLN A 27 8.433 -10.305 16.603 0.43 8.17 C -ATOM 213 O AGLN A 27 9.260 -9.381 16.815 0.57 8.26 O -ATOM 214 O BGLN A 27 9.174 -9.395 16.241 0.43 6.83 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N APHE A 45 19.208 0.153 7.425 0.46 16.82 N -ATOM 366 N BPHE A 45 19.154 0.200 7.430 0.54 13.38 N -ATOM 367 CA APHE A 45 18.572 0.864 6.300 0.46 19.36 C -ATOM 368 CA BPHE A 45 18.386 0.953 6.445 0.54 13.71 C -ATOM 369 CB APHE A 45 19.584 1.142 5.127 0.46 23.18 C -ATOM 370 CB BPHE A 45 19.320 1.573 5.393 0.54 12.75 C -ATOM 371 CG APHE A 45 20.207 -0.109 4.496 0.46 30.12 C -ATOM 372 CG BPHE A 45 20.295 2.556 5.961 0.54 11.96 C -ATOM 373 CD1APHE A 45 21.341 -0.704 5.047 0.46 31.35 C -ATOM 374 CD1BPHE A 45 21.661 2.264 5.998 0.54 13.23 C -ATOM 375 CE1APHE A 45 21.906 -1.834 4.470 0.46 34.10 C -ATOM 376 CE1BPHE A 45 22.580 3.197 6.475 0.54 15.19 C -ATOM 377 CZ APHE A 45 21.353 -2.380 3.330 0.46 29.11 C -ATOM 378 CZ BPHE A 45 22.125 4.424 6.960 0.54 14.16 C -ATOM 379 CE2APHE A 45 20.233 -1.801 2.765 0.46 29.48 C -ATOM 380 CE2BPHE A 45 20.763 4.713 6.950 0.54 11.23 C -ATOM 381 CD2APHE A 45 19.671 -0.670 3.333 0.46 33.40 C -ATOM 382 CD2BPHE A 45 19.856 3.777 6.452 0.54 11.18 C -ATOM 383 C APHE A 45 17.313 0.215 5.765 0.46 15.69 C -ATOM 384 C BPHE A 45 17.253 0.218 5.760 0.54 12.87 C -ATOM 385 O APHE A 45 16.364 0.901 5.374 0.46 15.15 O -ATOM 386 O BPHE A 45 16.324 0.857 5.238 0.54 12.81 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG AMET A 59 -9.218 -10.121 5.496 0.48 26.57 C -ATOM 512 CG BMET A 59 -9.009 -9.979 5.778 0.52 26.84 C -ATOM 513 SD AMET A 59 -11.005 -10.356 5.575 0.48 22.79 S -ATOM 514 SD BMET A 59 -9.937 -9.353 4.369 0.52 29.36 S -ATOM 515 CE AMET A 59 -11.425 -8.654 5.217 0.48 24.88 C -ATOM 516 CE BMET A 59 -11.071 -10.728 4.220 0.52 22.56 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB AVAL A 86 10.279 5.024 -8.614 0.51 5.97 C -ATOM 741 CB BVAL A 86 10.446 5.065 -8.501 0.49 6.20 C -ATOM 742 CG1AVAL A 86 10.621 6.347 -7.923 0.51 5.42 C -ATOM 743 CG1BVAL A 86 11.901 4.886 -8.875 0.49 6.31 C -ATOM 744 CG2AVAL A 86 11.349 4.601 -9.611 0.51 5.92 C -ATOM 745 CG2BVAL A 86 9.539 5.222 -9.721 0.49 5.81 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB ALEU A 94 6.178 8.806 1.907 0.55 9.48 C -ATOM 801 CB BLEU A 94 6.165 8.806 1.907 0.45 10.53 C -ATOM 802 CG ALEU A 94 7.138 9.894 1.425 0.55 8.72 C -ATOM 803 CG BLEU A 94 6.116 10.338 2.061 0.45 11.01 C -ATOM 804 CD1ALEU A 94 8.350 9.315 0.748 0.55 8.52 C -ATOM 805 CD1BLEU A 94 4.836 10.889 1.434 0.45 10.97 C -ATOM 806 CD2ALEU A 94 6.454 10.827 0.456 0.55 9.47 C -ATOM 807 CD2BLEU A 94 6.230 10.870 3.487 0.45 10.57 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N APHE A 142 -14.686 -0.576 -6.076 0.58 7.17 N -ATOM 1183 N BPHE A 142 -14.734 -0.601 -6.093 0.42 7.80 N -ATOM 1184 CA APHE A 142 -14.227 -1.523 -5.090 0.58 6.50 C -ATOM 1185 CA BPHE A 142 -14.171 -1.588 -5.178 0.42 7.36 C -ATOM 1186 CB APHE A 142 -14.069 -2.912 -5.707 0.58 6.27 C -ATOM 1187 CB BPHE A 142 -13.682 -2.820 -5.957 0.42 7.67 C -ATOM 1188 CG APHE A 142 -15.367 -3.495 -6.198 0.58 6.80 C -ATOM 1189 CG BPHE A 142 -13.240 -3.983 -5.089 0.42 8.19 C -ATOM 1190 CD1APHE A 142 -16.388 -3.827 -5.301 0.58 6.62 C -ATOM 1191 CD1BPHE A 142 -13.175 -3.872 -3.708 0.42 7.81 C -ATOM 1192 CE1APHE A 142 -17.575 -4.353 -5.749 0.58 5.81 C -ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.932 0.42 7.89 C -ATOM 1194 CZ APHE A 142 -17.774 -4.532 -7.091 0.58 6.29 C -ATOM 1195 CZ BPHE A 142 -12.395 -6.134 -3.536 0.42 7.97 C -ATOM 1196 CE2APHE A 142 -16.797 -4.215 -7.996 0.58 5.97 C -ATOM 1197 CE2BPHE A 142 -12.427 -6.256 -4.913 0.42 7.76 C -ATOM 1198 CD2APHE A 142 -15.609 -3.686 -7.562 0.58 6.58 C -ATOM 1199 CD2BPHE A 142 -12.849 -5.193 -5.678 0.42 8.58 C -ATOM 1200 C APHE A 142 -12.990 -0.990 -4.376 0.58 7.08 C -ATOM 1201 C BPHE A 142 -13.045 -0.939 -4.385 0.42 7.58 C -ATOM 1202 O APHE A 142 -12.779 -1.253 -3.163 0.58 6.64 O -ATOM 1203 O BPHE A 142 -12.958 -1.094 -3.145 0.42 7.63 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O -TER 1493 ALA A 182 -END +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N AGLN A 27 6.111 -11.015 16.340 0.57 9.65 N +ATOM 198 N BGLN A 27 6.086 -10.967 16.345 0.43 7.76 N +ATOM 199 CA AGLN A 27 6.940 -10.036 17.039 0.57 10.93 C +ATOM 200 CA BGLN A 27 6.991 -10.025 16.990 0.43 7.64 C +ATOM 201 CB AGLN A 27 6.501 -9.771 18.511 0.57 12.23 C +ATOM 202 CB BGLN A 27 6.886 -9.983 18.505 0.43 6.67 C +ATOM 203 CG AGLN A 27 5.764 -10.839 19.335 0.57 14.65 C +ATOM 204 CG BGLN A 27 7.880 -8.950 18.989 0.43 6.35 C +ATOM 205 CD AGLN A 27 4.541 -11.494 18.684 0.57 13.37 C +ATOM 206 CD BGLN A 27 7.399 -8.083 20.124 0.43 5.63 C +ATOM 207 OE1AGLN A 27 4.552 -12.679 18.439 0.57 10.98 O +ATOM 208 OE1BGLN A 27 6.474 -8.435 20.848 0.43 5.20 O +ATOM 209 NE2AGLN A 27 3.492 -10.722 18.421 0.57 18.13 N +ATOM 210 NE2BGLN A 27 8.076 -6.961 20.316 0.43 5.25 N +ATOM 211 C AGLN A 27 8.460 -10.315 16.844 0.57 10.39 C +ATOM 212 C BGLN A 27 8.436 -10.313 16.606 0.43 8.17 C +ATOM 213 O AGLN A 27 9.263 -9.389 16.819 0.57 8.26 O +ATOM 214 O BGLN A 27 9.177 -9.402 16.245 0.43 6.83 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N APHE A 45 19.206 0.157 7.436 0.46 16.82 N +ATOM 366 N BPHE A 45 19.152 0.204 7.441 0.54 13.38 N +ATOM 367 CA APHE A 45 18.570 0.869 6.312 0.46 19.36 C +ATOM 368 CA BPHE A 45 18.385 0.958 6.458 0.54 13.71 C +ATOM 369 CB APHE A 45 19.582 1.149 5.139 0.46 23.18 C +ATOM 370 CB BPHE A 45 19.318 1.579 5.406 0.54 12.75 C +ATOM 371 CG APHE A 45 20.205 -0.102 4.507 0.46 30.12 C +ATOM 372 CG BPHE A 45 20.293 2.562 5.975 0.54 11.96 C +ATOM 373 CD1APHE A 45 21.340 -0.697 5.058 0.46 31.35 C +ATOM 374 CD1BPHE A 45 21.658 2.270 6.011 0.54 13.23 C +ATOM 375 CE1APHE A 45 21.905 -1.826 4.480 0.46 34.10 C +ATOM 376 CE1BPHE A 45 22.577 3.204 6.490 0.54 15.19 C +ATOM 377 CZ APHE A 45 21.352 -2.371 3.340 0.46 29.11 C +ATOM 378 CZ BPHE A 45 22.123 4.430 6.975 0.54 14.16 C +ATOM 379 CE2APHE A 45 20.233 -1.793 2.775 0.46 29.48 C +ATOM 380 CE2BPHE A 45 20.760 4.718 6.965 0.54 11.23 C +ATOM 381 CD2APHE A 45 19.669 -0.662 3.344 0.46 33.40 C +ATOM 382 CD2BPHE A 45 19.853 3.783 6.466 0.54 11.18 C +ATOM 383 C APHE A 45 17.312 0.220 5.776 0.46 15.69 C +ATOM 384 C BPHE A 45 17.252 0.223 5.772 0.54 12.87 C +ATOM 385 O APHE A 45 16.362 0.906 5.386 0.46 15.15 O +ATOM 386 O BPHE A 45 16.322 0.862 5.250 0.54 12.81 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG AMET A 59 -9.215 -10.126 5.500 0.48 26.57 C +ATOM 512 CG BMET A 59 -9.006 -9.985 5.782 0.52 26.84 C +ATOM 513 SD AMET A 59 -11.002 -10.362 5.579 0.48 22.79 S +ATOM 514 SD BMET A 59 -9.934 -9.358 4.373 0.52 29.36 S +ATOM 515 CE AMET A 59 -11.423 -8.660 5.222 0.48 24.88 C +ATOM 516 CE BMET A 59 -11.069 -10.733 4.223 0.52 22.56 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB AVAL A 86 10.276 5.038 -8.597 0.51 5.97 C +ATOM 741 CB BVAL A 86 10.442 5.079 -8.484 0.49 6.20 C +ATOM 742 CG1AVAL A 86 10.617 6.361 -7.906 0.51 5.42 C +ATOM 743 CG1BVAL A 86 11.897 4.901 -8.859 0.49 6.31 C +ATOM 744 CG2AVAL A 86 11.345 4.617 -9.595 0.51 5.92 C +ATOM 745 CG2BVAL A 86 9.535 5.237 -9.705 0.49 5.81 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB ALEU A 94 6.173 8.810 1.927 0.55 9.48 C +ATOM 801 CB BLEU A 94 6.160 8.810 1.927 0.45 10.53 C +ATOM 802 CG ALEU A 94 7.132 9.898 1.446 0.55 8.72 C +ATOM 803 CG BLEU A 94 6.111 10.342 2.082 0.45 11.01 C +ATOM 804 CD1ALEU A 94 8.345 9.321 0.768 0.55 8.52 C +ATOM 805 CD1BLEU A 94 4.830 10.893 1.455 0.45 10.97 C +ATOM 806 CD2ALEU A 94 6.449 10.832 0.477 0.55 9.47 C +ATOM 807 CD2BLEU A 94 6.224 10.872 3.509 0.45 10.57 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N APHE A 142 -14.688 -0.574 -6.064 0.58 7.17 N +ATOM 1183 N BPHE A 142 -14.735 -0.599 -6.080 0.42 7.80 N +ATOM 1184 CA APHE A 142 -14.228 -1.521 -5.079 0.58 6.50 C +ATOM 1185 CA BPHE A 142 -14.172 -1.586 -5.167 0.42 7.36 C +ATOM 1186 CB APHE A 142 -14.070 -2.910 -5.697 0.58 6.27 C +ATOM 1187 CB BPHE A 142 -13.682 -2.817 -5.947 0.42 7.67 C +ATOM 1188 CG APHE A 142 -15.368 -3.493 -6.188 0.58 6.80 C +ATOM 1189 CG BPHE A 142 -13.240 -3.981 -5.080 0.42 8.19 C +ATOM 1190 CD1APHE A 142 -16.388 -3.826 -5.291 0.58 6.62 C +ATOM 1191 CD1BPHE A 142 -13.175 -3.871 -3.698 0.42 7.81 C +ATOM 1192 CE1APHE A 142 -17.575 -4.352 -5.740 0.58 5.81 C +ATOM 1193 CE1BPHE A 142 -12.768 -4.946 -2.923 0.42 7.89 C +ATOM 1194 CZ APHE A 142 -17.774 -4.530 -7.082 0.58 6.29 C +ATOM 1195 CZ BPHE A 142 -12.394 -6.132 -3.528 0.42 7.97 C +ATOM 1196 CE2APHE A 142 -16.797 -4.212 -7.987 0.58 5.97 C +ATOM 1197 CE2BPHE A 142 -12.426 -6.254 -4.905 0.42 7.76 C +ATOM 1198 CD2APHE A 142 -15.609 -3.683 -7.552 0.58 6.58 C +ATOM 1199 CD2BPHE A 142 -12.849 -5.190 -5.670 0.42 8.58 C +ATOM 1200 C APHE A 142 -12.992 -0.988 -4.364 0.58 7.08 C +ATOM 1201 C BPHE A 142 -13.047 -0.937 -4.373 0.42 7.58 C +ATOM 1202 O APHE A 142 -12.780 -1.252 -3.152 0.58 6.64 O +ATOM 1203 O BPHE A 142 -12.959 -1.094 -3.134 0.42 7.63 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pml new file mode 100644 index 0000000..840c8f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml new file mode 100644 index 0000000..91d39de --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all +hide all +show stick +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml new file mode 100644 index 0000000..1928ccd --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml new file mode 100644 index 0000000..fd096f0 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_all_atm_lig.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_all_atm_lig +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml new file mode 100644 index 0000000..948c84a --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/input_mp_aligned_atm.pml @@ -0,0 +1,15 @@ +#!/usr/bin/env pymol +load /prepare/mp_files/superpose/input_mp_aligned_atm +hide all +show cartoon +color blue, chain A +color red, chain B +set ray_shadow, 0 +set stick_radius, 0.3 +set sphere_scale, 0.25 +show stick, not polymer +show sphere, not polymer +bg_color white +set transparency=0.2 +zoom polymer + diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/ref_opm.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/ref_opm.pdb index a4b12fd..01abd5c 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/ref_opm.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/mp_files/superpose/ref_opm.pdb @@ -1,5 +1,5 @@ -REMARK 1/2 of bilayer thickness: 13.7 -HEADER HYDROLASE/HYDROLASE INHIBITOR 13-JUL-20 6XRO +1/2 of bilayer thickness: 13.7 +HYDROLASE/HYDROLASE INHIBITOR 13-JUL-20 6XRO TITLE CRYSTAL STRUCTURE OF GLPG IN COMPLEX WITH PEPTIDE BORONATE INHIBITOR, TITLE 2 AC-KRFRSMQYSA-B(OH)2 CAVEAT 6XRO RESIDUES LEU A 200 AND SER A 201 THAT ARE NEXT TO EACH OTHER @@ -35,415 +35,415 @@ JRNL REF CELL CHEM BIOL 2020 JRNL REFN ESSN 2451-9456 JRNL PMID 32888502 JRNL DOI 10.1016/J.CHEMBIOL.2020.08.011 -REMARK 2 -REMARK 2 RESOLUTION. 2.30 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC 1.10.1_2155 -REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, -REMARK 3 : NICHOLLS,WINN,LONG,VAGIN -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.08 -REMARK 3 COMPLETENESS FOR RANGE (%) : 94.0 -REMARK 3 NUMBER OF REFLECTIONS : 12665 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT -REMARK 3 FREE R VALUE TEST SET SELECTION : NULL -REMARK 3 R VALUE (WORKING + TEST SET) : 0.210 -REMARK 3 R VALUE (WORKING SET) : 0.209 -REMARK 3 FREE R VALUE : 0.247 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.810 -REMARK 3 FREE R VALUE TEST SET COUNT : 609 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 1478 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 SOLVENT ATOMS : 48 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.04 -REMARK 3 OVERALL ANISOTROPIC B VALUE. -REMARK 3 B11 (A**2) : NULL -REMARK 3 B22 (A**2) : NULL -REMARK 3 B33 (A**2) : NULL -REMARK 3 B12 (A**2) : NULL -REMARK 3 B13 (A**2) : NULL -REMARK 3 B23 (A**2) : NULL -REMARK 3 -REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): NULL -REMARK 3 ESU BASED ON FREE R VALUE (A): NULL -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.230 -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 BOND LENGTH (A) : NULL ; NULL -REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL -REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL -REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL -REMARK 3 -REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL -REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL -REMARK 3 -REMARK 3 NON-BONDED CONTACT RESTRAINTS. -REMARK 3 SINGLE TORSION (A) : NULL ; NULL -REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL -REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL -REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL -REMARK 3 -REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. -REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL -REMARK 3 PLANAR (DEGREES) : NULL ; NULL -REMARK 3 STAGGERED (DEGREES) : NULL ; NULL -REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 6XRO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 20-JUL-17 -REMARK 200 TEMPERATURE (KELVIN) : 100 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y -REMARK 200 RADIATION SOURCE : CHESS -REMARK 200 BEAMLINE : F1 -REMARK 200 X-RAY GENERATOR MODEL : NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M -REMARK 200 WAVELENGTH OR RANGE (A) : 0.9718 -REMARK 200 MONOCHROMATOR : SI(111) -REMARK 200 OPTICS : NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : PIXEL -REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO -REMARK 200 DATA SCALING SOFTWARE : SCALEPACK -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18403 -REMARK 200 RESOLUTION RANGE HIGH (A) : 2.030 -REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 94.6 -REMARK 200 DATA REDUNDANCY : 5.700 -REMARK 200 R MERGE (I) : 0.06200 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 8.5000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 COMPLETENESS FOR SHELL (%) : 67.8 -REMARK 200 DATA REDUNDANCY IN SHELL : 1.90 -REMARK 200 R MERGE FOR SHELL (I) : 0.71400 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : 1.840 -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: MOLREP -REMARK 200 STARTING MODEL: PDB ENTRY 2IC8 -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 58.67 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.98 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M TRIS, PH 8.5, 3 M SODIUM -REMARK 280 NITRATE, 15% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, -REMARK 280 TEMPERATURE 298K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -Y,X-Y,Z -REMARK 290 3555 -X+Y,-X,Z -REMARK 290 4555 Y,X,-Z -REMARK 290 5555 X-Y,-Y,-Z -REMARK 290 6555 -X,-X+Y,-Z -REMARK 290 7555 X+2/3,Y+1/3,Z+1/3 -REMARK 290 8555 -Y+2/3,X-Y+1/3,Z+1/3 -REMARK 290 9555 -X+Y+2/3,-X+1/3,Z+1/3 -REMARK 290 10555 Y+2/3,X+1/3,-Z+1/3 -REMARK 290 11555 X-Y+2/3,-Y+1/3,-Z+1/3 -REMARK 290 12555 -X+2/3,-X+Y+1/3,-Z+1/3 -REMARK 290 13555 X+1/3,Y+2/3,Z+2/3 -REMARK 290 14555 -Y+1/3,X-Y+2/3,Z+2/3 -REMARK 290 15555 -X+Y+1/3,-X+2/3,Z+2/3 -REMARK 290 16555 Y+1/3,X+2/3,-Z+2/3 -REMARK 290 17555 X-Y+1/3,-Y+2/3,-Z+2/3 -REMARK 290 18555 -X+1/3,-X+Y+2/3,-Z+2/3 -REMARK 290 -REMARK 290 WHERE NNN -> OPERATOR NUMBER -REMARK 290 MMM -> TRANSLATION VECTOR -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS -REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY -REMARK 290 RELATED MOLECULES. -REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 -REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 55.85500 -REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 32.24790 -REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 41.46000 -REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 55.85500 -REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 32.24790 -REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 41.46000 -REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 55.85500 -REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 32.24790 -REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 41.46000 -REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 55.85500 -REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 32.24790 -REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 41.46000 -REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 55.85500 -REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 32.24790 -REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 41.46000 -REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 55.85500 -REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 32.24790 -REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 41.46000 -REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 64.49580 -REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 82.92000 -REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 64.49580 -REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 82.92000 -REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 64.49580 -REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 82.92000 -REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 64.49580 -REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 82.92000 -REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 -REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 64.49580 -REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 82.92000 -REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 -REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 64.49580 -REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 82.92000 -REMARK 290 -REMARK 290 REMARK: NULL -REMARK 300 -REMARK 300 BIOMOLECULE: 1 -REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM -REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN -REMARK 300 BURIED SURFACE AREA. -REMARK 350 -REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN -REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE -REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS -REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND -REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. -REMARK 350 -REMARK 350 BIOMOLECULE: 1 -REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC -REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC -REMARK 350 SOFTWARE USED: PISA -REMARK 350 TOTAL BURIED SURFACE AREA: 1620 ANGSTROM**2 -REMARK 350 SURFACE AREA OF THE COMPLEX: 9210 ANGSTROM**2 -REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B -REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 -REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 -REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 -REMARK 375 -REMARK 375 SPECIAL POSITION -REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL -REMARK 375 POSITIONS. -REMARK 375 -REMARK 375 ATOM RES CSSEQI -REMARK 375 HOH A 647 LIES ON A SPECIAL POSITION. -REMARK 465 -REMARK 465 MISSING RESIDUES -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 MET A 66 -REMARK 465 GLY A 67 -REMARK 465 SER A 68 -REMARK 465 SER A 69 -REMARK 465 HIS A 70 -REMARK 465 HIS A 71 -REMARK 465 HIS A 72 -REMARK 465 HIS A 73 -REMARK 465 HIS A 74 -REMARK 465 HIS A 75 -REMARK 465 SER A 76 -REMARK 465 SER A 77 -REMARK 465 GLY A 78 -REMARK 465 LEU A 79 -REMARK 465 VAL A 80 -REMARK 465 PRO A 81 -REMARK 465 ARG A 82 -REMARK 465 GLY A 83 -REMARK 465 SER A 84 -REMARK 465 HIS A 85 -REMARK 465 MET A 86 -REMARK 465 ALA A 87 -REMARK 465 ALA A 88 -REMARK 465 LEU A 89 -REMARK 465 ARG A 90 -REMARK 465 ARG A 273 -REMARK 465 LYS A 274 -REMARK 465 ARG A 275 -REMARK 465 LYS A 276 -REMARK 465 LYS B 492 -REMARK 465 ARG B 493 -REMARK 465 PHE B 494 -REMARK 465 ARG B 495 -REMARK 465 SER B 496 -REMARK 465 MET B 497 -REMARK 465 ALA B 501 -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT -REMARK 500 -REMARK 500 -REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE -REMARK 500 C SER B 500 N B2A A 501 1.91 -REMARK 500 NE2 GLN A 190 O HOH A 601 1.99 -REMARK 500 OG SER A 221 O HOH A 602 2.06 -REMARK 500 OD1 ASP A 128 OG1 THR A 130 2.08 -REMARK 500 OG SER A 201 O2 B2A A 501 2.12 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS -REMARK 500 -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION -REMARK 500 LEU A 200 C SER A 201 N -0.197 -REMARK 500 SER A 201 CB SER A 201 OG 0.207 -REMARK 500 SER A 201 C GLY A 202 N 0.185 -REMARK 500 HIS A 254 C ILE A 255 N 0.221 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: COVALENT BOND ANGLES -REMARK 500 -REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE -REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) -REMARK 500 -REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 -REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 -REMARK 500 -REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 -REMARK 500 LEU A 200 CA - C - N ANGL. DEV. = 18.5 DEGREES -REMARK 500 LEU A 200 O - C - N ANGL. DEV. = -17.8 DEGREES -REMARK 500 SER A 201 C - N - CA ANGL. DEV. = 15.6 DEGREES -REMARK 500 GLY A 202 C - N - CA ANGL. DEV. = -15.8 DEGREES -REMARK 500 HIS A 254 O - C - N ANGL. DEV. = -13.5 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 ARG A 92 -45.02 178.86 -REMARK 500 ASP A 218 64.38 -118.20 -REMARK 500 ARG A 227 -58.28 -26.93 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 525 -REMARK 525 SOLVENT -REMARK 525 -REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT -REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE -REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; -REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE -REMARK 525 NUMBER; I=INSERTION CODE): -REMARK 525 -REMARK 525 M RES CSSEQI -REMARK 525 HOH A 647 DISTANCE = 7.95 ANGSTROMS -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 NA A 505 NA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 ASN A 154 OD1 -REMARK 620 2 B2A A 501 O1 80.9 -REMARK 620 N 1 2 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 NA A 504 NA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 N 1 2 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: binding site for residue B2A A 501 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 502 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 503 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 504 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 505 +2 +2 RESOLUTION. 2.30 ANGSTROMS. +3 +3 REFINEMENT. +3 PROGRAM : REFMAC 1.10.1_2155 +3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, +3 : NICHOLLS,WINN,LONG,VAGIN +3 +3 DATA USED IN REFINEMENT. +3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.30 +3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.08 +3 COMPLETENESS FOR RANGE (%) : 94.0 +3 NUMBER OF REFLECTIONS : 12665 +3 +3 FIT TO DATA USED IN REFINEMENT. +3 CROSS-VALIDATION METHOD : THROUGHOUT +3 FREE R VALUE TEST SET SELECTION : NULL +3 R VALUE (WORKING + TEST SET) : 0.210 +3 R VALUE (WORKING SET) : 0.209 +3 FREE R VALUE : 0.247 +3 FREE R VALUE TEST SET SIZE (%) : 4.810 +3 FREE R VALUE TEST SET COUNT : 609 +3 +3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +3 PROTEIN ATOMS : 1478 +3 NUCLEIC ACID ATOMS : 0 +3 SOLVENT ATOMS : 48 +3 +3 B VALUES. +3 FROM WILSON PLOT (A**2) : NULL +3 MEAN B VALUE (OVERALL, A**2) : 31.04 +3 OVERALL ANISOTROPIC B VALUE. +3 B11 (A**2) : NULL +3 B22 (A**2) : NULL +3 B33 (A**2) : NULL +3 B12 (A**2) : NULL +3 B13 (A**2) : NULL +3 B23 (A**2) : NULL +3 +3 ESTIMATED OVERALL COORDINATE ERROR. +3 ESU BASED ON R VALUE (A): NULL +3 ESU BASED ON FREE R VALUE (A): NULL +3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.230 +3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL +3 +3 RMS DEVIATIONS FROM IDEAL VALUES. +3 BOND LENGTH (A) : NULL ; NULL +3 ANGLE DISTANCE (A) : NULL ; NULL +3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL +3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL +3 +3 PLANE RESTRAINT (A) : NULL ; NULL +3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL +3 +3 NON-BONDED CONTACT RESTRAINTS. +3 SINGLE TORSION (A) : NULL ; NULL +3 MULTIPLE TORSION (A) : NULL ; NULL +3 H-BOND (X...Y) (A) : NULL ; NULL +3 H-BOND (X-H...Y) (A) : NULL ; NULL +3 +3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. +3 SPECIFIED (DEGREES) : NULL ; NULL +3 PLANAR (DEGREES) : NULL ; NULL +3 STAGGERED (DEGREES) : NULL ; NULL +3 TRANSVERSE (DEGREES) : NULL ; NULL +3 +3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +3 +3 OTHER REFINEMENT S: NULL +4 +4 6XRO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +100 +200 +200 EXPERIMENTAL DETAILS +200 EXPERIMENT TYPE : X-RAY DIFFRACTION +200 DATE OF DATA COLLECTION : 20-JUL-17 +200 TEMPERATURE (KELVIN) : 100 +200 NUMBER OF CRYSTALS USED : 1 +200 +200 SYNCHROTRON (Y/N) : Y +200 RADIATION SOURCE : CHESS +200 BEAMLINE : F1 +200 X-RAY GENERATOR MODEL : NULL +200 MONOCHROMATIC OR LAUE (M/L) : M +200 WAVELENGTH OR RANGE (A) : 0.9718 +200 MONOCHROMATOR : SI(111) +200 OPTICS : NULL +200 +200 DETECTOR TYPE : PIXEL +200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M +200 INTENSITY-INTEGRATION SOFTWARE : DENZO +200 DATA SCALING SOFTWARE : SCALEPACK +200 +200 NUMBER OF UNIQUE REFLECTIONS : 18403 +200 RESOLUTION RANGE HIGH (A) : 2.030 +200 RESOLUTION RANGE LOW (A) : 50.000 +200 REJECTION CRITERIA (SIGMA(I)) : NULL +200 +200 OVERALL. +200 COMPLETENESS FOR RANGE (%) : 94.6 +200 DATA REDUNDANCY : 5.700 +200 R MERGE (I) : 0.06200 +200 R SYM (I) : NULL +200 FOR THE DATA SET : 8.5000 +200 +200 IN THE HIGHEST RESOLUTION SHELL. +200 COMPLETENESS FOR SHELL (%) : 67.8 +200 DATA REDUNDANCY IN SHELL : 1.90 +200 R MERGE FOR SHELL (I) : 0.71400 +200 R SYM FOR SHELL (I) : NULL +200 FOR SHELL : 1.840 +200 +200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +200 SOFTWARE USED: MOLREP +200 STARTING MODEL: PDB ENTRY 2IC8 +200 +200 : NULL +280 +280 CRYSTAL +280 SOLVENT CONTENT, VS (%): 58.67 +280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.98 +280 +280 CRYSTALLIZATION CONDITIONS: 0.1 M TRIS, PH 8.5, 3 M SODIUM +280 NITRATE, 15% GLYCEROL, VAPOR DIFFUSION, HANGING DROP, +280 TEMPERATURE 298K +290 +290 CRYSTALLOGRAPHIC SYMMETRY +290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 +290 +290 SYMOP SYMMETRY +290 NNNMMM OPERATOR +290 1555 X,Y,Z +290 2555 -Y,X-Y,Z +290 3555 -X+Y,-X,Z +290 4555 Y,X,-Z +290 5555 X-Y,-Y,-Z +290 6555 -X,-X+Y,-Z +290 7555 X+2/3,Y+1/3,Z+1/3 +290 8555 -Y+2/3,X-Y+1/3,Z+1/3 +290 9555 -X+Y+2/3,-X+1/3,Z+1/3 +290 10555 Y+2/3,X+1/3,-Z+1/3 +290 11555 X-Y+2/3,-Y+1/3,-Z+1/3 +290 12555 -X+2/3,-X+Y+1/3,-Z+1/3 +290 13555 X+1/3,Y+2/3,Z+2/3 +290 14555 -Y+1/3,X-Y+2/3,Z+2/3 +290 15555 -X+Y+1/3,-X+2/3,Z+2/3 +290 16555 Y+1/3,X+2/3,-Z+2/3 +290 17555 X-Y+1/3,-Y+2/3,-Z+2/3 +290 18555 -X+1/3,-X+Y+2/3,-Z+2/3 +290 +290 WHERE NNN -> OPERATOR NUMBER +290 MMM -> TRANSLATION VECTOR +290 +290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +290 RELATED MOLECULES. +290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 +290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 +290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 +290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 +290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 +290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 +290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 +290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 +290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 +290 SMTRY1 7 1.000000 0.000000 0.000000 55.85500 +290 SMTRY2 7 0.000000 1.000000 0.000000 32.24790 +290 SMTRY3 7 0.000000 0.000000 1.000000 41.46000 +290 SMTRY1 8 -0.500000 -0.866025 0.000000 55.85500 +290 SMTRY2 8 0.866025 -0.500000 0.000000 32.24790 +290 SMTRY3 8 0.000000 0.000000 1.000000 41.46000 +290 SMTRY1 9 -0.500000 0.866025 0.000000 55.85500 +290 SMTRY2 9 -0.866025 -0.500000 0.000000 32.24790 +290 SMTRY3 9 0.000000 0.000000 1.000000 41.46000 +290 SMTRY1 10 -0.500000 0.866025 0.000000 55.85500 +290 SMTRY2 10 0.866025 0.500000 0.000000 32.24790 +290 SMTRY3 10 0.000000 0.000000 -1.000000 41.46000 +290 SMTRY1 11 1.000000 0.000000 0.000000 55.85500 +290 SMTRY2 11 0.000000 -1.000000 0.000000 32.24790 +290 SMTRY3 11 0.000000 0.000000 -1.000000 41.46000 +290 SMTRY1 12 -0.500000 -0.866025 0.000000 55.85500 +290 SMTRY2 12 -0.866025 0.500000 0.000000 32.24790 +290 SMTRY3 12 0.000000 0.000000 -1.000000 41.46000 +290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 +290 SMTRY2 13 0.000000 1.000000 0.000000 64.49580 +290 SMTRY3 13 0.000000 0.000000 1.000000 82.92000 +290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 +290 SMTRY2 14 0.866025 -0.500000 0.000000 64.49580 +290 SMTRY3 14 0.000000 0.000000 1.000000 82.92000 +290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 +290 SMTRY2 15 -0.866025 -0.500000 0.000000 64.49580 +290 SMTRY3 15 0.000000 0.000000 1.000000 82.92000 +290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 +290 SMTRY2 16 0.866025 0.500000 0.000000 64.49580 +290 SMTRY3 16 0.000000 0.000000 -1.000000 82.92000 +290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 +290 SMTRY2 17 0.000000 -1.000000 0.000000 64.49580 +290 SMTRY3 17 0.000000 0.000000 -1.000000 82.92000 +290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 +290 SMTRY2 18 -0.866025 0.500000 0.000000 64.49580 +290 SMTRY3 18 0.000000 0.000000 -1.000000 82.92000 +290 +290 : NULL +300 +300 BIOMOLECULE: 1 +300 SEE 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +300 BURIED SURFACE AREA. +350 +350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +350 +350 BIOMOLECULE: 1 +350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC +350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +350 SOFTWARE USED: PISA +350 TOTAL BURIED SURFACE AREA: 1620 ANGSTROM**2 +350 SURFACE AREA OF THE COMPLEX: 9210 ANGSTROM**2 +350 APPLY THE FOLLOWING TO CHAINS: A, B +350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +375 +375 SPECIAL POSITION +375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL +375 POSITIONS. +375 +375 ATOM RES CSSEQI +375 HOH A 647 LIES ON A SPECIAL POSITION. +465 +465 MISSING RESIDUES +465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +465 +465 M RES C SSSEQI +465 MET A 66 +465 GLY A 67 +465 SER A 68 +465 SER A 69 +465 HIS A 70 +465 HIS A 71 +465 HIS A 72 +465 HIS A 73 +465 HIS A 74 +465 HIS A 75 +465 SER A 76 +465 SER A 77 +465 GLY A 78 +465 LEU A 79 +465 VAL A 80 +465 PRO A 81 +465 ARG A 82 +465 GLY A 83 +465 SER A 84 +465 HIS A 85 +465 MET A 86 +465 ALA A 87 +465 ALA A 88 +465 LEU A 89 +465 ARG A 90 +465 ARG A 273 +465 LYS A 274 +465 ARG A 275 +465 LYS A 276 +465 LYS B 492 +465 ARG B 493 +465 PHE B 494 +465 ARG B 495 +465 SER B 496 +465 MET B 497 +465 ALA B 501 +500 +500 GEOMETRY AND STEREOCHEMISTRY +500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +500 +500 +500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +500 C SER B 500 N B2A A 501 1.91 +500 NE2 GLN A 190 O HOH A 601 1.99 +500 OG SER A 221 O HOH A 602 2.06 +500 OD1 ASP A 128 OG1 THR A 130 2.08 +500 OG SER A 201 O2 B2A A 501 2.12 +500 +500 : NULL +500 +500 GEOMETRY AND STEREOCHEMISTRY +500 SUBTOPIC: COVALENT BOND LENGTHS +500 +500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +500 +500 STANDARD TABLE: +500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +500 +500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +500 +500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +500 LEU A 200 C SER A 201 N -0.197 +500 SER A 201 CB SER A 201 OG 0.207 +500 SER A 201 C GLY A 202 N 0.185 +500 HIS A 254 C ILE A 255 N 0.221 +500 +500 : NULL +500 +500 GEOMETRY AND STEREOCHEMISTRY +500 SUBTOPIC: COVALENT BOND ANGLES +500 +500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +500 +500 STANDARD TABLE: +500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +500 +500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +500 +500 M RES CSSEQI ATM1 ATM2 ATM3 +500 LEU A 200 CA - C - N ANGL. DEV. = 18.5 DEGREES +500 LEU A 200 O - C - N ANGL. DEV. = -17.8 DEGREES +500 SER A 201 C - N - CA ANGL. DEV. = 15.6 DEGREES +500 GLY A 202 C - N - CA ANGL. DEV. = -15.8 DEGREES +500 HIS A 254 O - C - N ANGL. DEV. = -13.5 DEGREES +500 +500 : NULL +500 +500 GEOMETRY AND STEREOCHEMISTRY +500 SUBTOPIC: TORSION ANGLES +500 +500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +500 +500 STANDARD TABLE: +500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +500 +500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +500 +500 M RES CSSEQI PSI PHI +500 ARG A 92 -45.02 178.86 +500 ASP A 218 64.38 -118.20 +500 ARG A 227 -58.28 -26.93 +500 +500 : NULL +525 +525 SOLVENT +525 +525 CLOSELY ASSOCIATED. THE LISTS ALL THE SOLVENT +525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE +525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; +525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE +525 NUMBER; I=INSERTION CODE): +525 +525 M RES CSSEQI +525 HOH A 647 DISTANCE = 7.95 ANGSTROMS +620 +620 METAL COORDINATION +620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): +620 +620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +620 NA A 505 NA +620 N RES CSSEQI ATOM +620 1 ASN A 154 OD1 +620 2 B2A A 501 O1 80.9 +620 N 1 2 +620 +620 COORDINATION ANGLES FOR: M RES CSSEQI METAL +620 NA A 504 NA +620 N RES CSSEQI ATOM +620 N 1 2 +800 +800 SITE +800 SITE_IDENTIFIER: AC1 +800 EVIDENCE_CODE: SOFTWARE +800 SITE_DESCRIPTION: binding site for residue B2A A 501 +800 +800 SITE_IDENTIFIER: AC2 +800 EVIDENCE_CODE: SOFTWARE +800 SITE_DESCRIPTION: binding site for residue CL A 502 +800 +800 SITE_IDENTIFIER: AC3 +800 EVIDENCE_CODE: SOFTWARE +800 SITE_DESCRIPTION: binding site for residue CL A 503 +800 +800 SITE_IDENTIFIER: AC4 +800 EVIDENCE_CODE: SOFTWARE +800 SITE_DESCRIPTION: binding site for residue NA A 504 +800 +800 SITE_IDENTIFIER: AC5 +800 EVIDENCE_CODE: SOFTWARE +800 SITE_DESCRIPTION: binding site for residue NA A 505 DBREF1 6XRO A 87 276 UNP A0A0J2E248_ECOLX DBREF2 6XRO A A0A0J2E248 87 276 DBREF 6XRO B 492 501 PDB 6XRO 6XRO 492 501 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/output/output.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/output/output.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/output/output.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/prepare/output/output.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/relax/input/input.pdb b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/relax/input/input.pdb index 2e1a270..86d2c66 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/relax/input/input.pdb +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/relax/input/input.pdb @@ -1,1452 +1,1452 @@ -ATOM 1 N GLU A 1 1.307 -15.219 -19.353 1.00 43.35 N -ATOM 2 CA GLU A 1 1.604 -14.601 -18.029 1.00 55.59 C -ATOM 3 CB GLU A 1 3.109 -14.400 -17.880 1.00 53.53 C -ATOM 4 CG GLU A 1 3.633 -14.503 -16.462 1.00 34.05 C -ATOM 5 CD GLU A 1 5.128 -14.403 -16.480 1.00 37.82 C -ATOM 6 OE1 GLU A 1 5.618 -13.261 -16.484 1.00 53.50 O -ATOM 7 OE2 GLU A 1 5.815 -15.448 -16.539 1.00 36.54 O -ATOM 8 C GLU A 1 0.854 -13.279 -17.825 1.00 46.53 C -ATOM 9 O GLU A 1 -0.274 -13.136 -18.313 1.00 50.24 O -ATOM 10 N ARG A 2 1.495 -12.332 -17.123 1.00 38.93 N -ATOM 11 CA ARG A 2 0.854 -11.145 -16.539 1.00 54.74 C -ATOM 12 CB ARG A 2 -0.420 -11.545 -15.737 1.00 50.45 C -ATOM 13 CG ARG A 2 -0.878 -10.620 -14.603 1.00 57.12 C -ATOM 14 CD ARG A 2 -2.088 -9.757 -14.944 1.00 57.44 C -ATOM 15 NE ARG A 2 -2.036 -8.419 -14.321 1.00 52.68 N -ATOM 16 CZ ARG A 2 -2.860 -7.414 -14.639 1.00 48.62 C -ATOM 17 NH1 ARG A 2 -3.830 -7.576 -15.552 1.00 54.86 N -ATOM 18 NH2 ARG A 2 -2.739 -6.241 -14.041 1.00 28.66 N -ATOM 19 C ARG A 2 1.895 -10.400 -15.671 1.00 66.99 C -ATOM 20 O ARG A 2 2.337 -9.311 -16.037 1.00 85.13 O -ATOM 21 N ALA A 3 2.282 -11.010 -14.540 1.00 43.05 N -ATOM 22 CA ALA A 3 3.239 -10.436 -13.577 1.00 41.35 C -ATOM 23 CB ALA A 3 3.184 -11.216 -12.239 1.00 34.83 C -ATOM 24 C ALA A 3 4.708 -10.402 -14.089 1.00 29.58 C -ATOM 25 O ALA A 3 5.343 -11.461 -14.221 1.00 21.07 O -ATOM 26 N GLY A 4 5.234 -9.192 -14.343 1.00 20.97 N -ATOM 27 CA GLY A 4 6.658 -8.975 -14.509 1.00 16.58 C -ATOM 28 C GLY A 4 7.450 -9.319 -13.242 1.00 18.06 C -ATOM 29 O GLY A 4 6.888 -9.621 -12.180 1.00 16.28 O -ATOM 30 N PRO A 5 8.798 -9.230 -13.293 1.00 12.89 N -ATOM 31 CA PRO A 5 9.635 -9.656 -12.168 1.00 10.80 C -ATOM 32 CB PRO A 5 11.079 -9.462 -12.705 1.00 10.45 C -ATOM 33 CG PRO A 5 10.926 -8.506 -13.840 1.00 9.74 C -ATOM 34 CD PRO A 5 9.570 -8.709 -14.432 1.00 10.46 C -ATOM 35 C PRO A 5 9.434 -8.867 -10.899 1.00 11.27 C -ATOM 36 O PRO A 5 9.600 -9.424 -9.827 1.00 13.59 O -ATOM 37 N VAL A 6 9.147 -7.566 -10.996 1.00 9.93 N -ATOM 38 CA VAL A 6 9.000 -6.787 -9.778 1.00 12.26 C -ATOM 39 CB VAL A 6 9.023 -5.276 -10.042 1.00 17.71 C -ATOM 40 CG1 VAL A 6 8.714 -4.501 -8.765 1.00 14.58 C -ATOM 41 CG2 VAL A 6 10.376 -4.862 -10.621 1.00 17.43 C -ATOM 42 C VAL A 6 7.693 -7.185 -9.108 1.00 10.99 C -ATOM 43 O VAL A 6 7.656 -7.450 -7.906 1.00 8.01 O -ATOM 44 N THR A 7 6.616 -7.255 -9.901 1.00 10.58 N -ATOM 45 CA THR A 7 5.333 -7.748 -9.375 1.00 12.65 C -ATOM 46 CB THR A 7 4.293 -7.879 -10.473 1.00 11.06 C -ATOM 47 OG1 THR A 7 4.102 -6.580 -11.086 1.00 10.95 O -ATOM 48 CG2 THR A 7 2.999 -8.375 -9.830 1.00 11.91 C -ATOM 49 C THR A 7 5.482 -9.084 -8.637 1.00 13.19 C -ATOM 50 O THR A 7 4.996 -9.259 -7.532 1.00 10.71 O -ATOM 51 N TRP A 8 6.247 -9.988 -9.257 1.00 13.70 N -ATOM 52 CA TRP A 8 6.453 -11.345 -8.778 1.00 14.00 C -ATOM 53 CB TRP A 8 7.103 -12.106 -9.910 1.00 11.57 C -ATOM 54 CG TRP A 8 7.532 -13.463 -9.667 1.00 14.97 C -ATOM 55 CD1 TRP A 8 8.775 -13.961 -9.903 1.00 16.81 C -ATOM 56 NE1 TRP A 8 8.814 -15.290 -9.652 1.00 18.90 N -ATOM 57 CE2 TRP A 8 7.577 -15.697 -9.234 1.00 22.92 C -ATOM 58 CD2 TRP A 8 6.738 -14.563 -9.244 1.00 20.29 C -ATOM 59 CE3 TRP A 8 5.405 -14.708 -8.871 1.00 22.87 C -ATOM 60 CZ3 TRP A 8 4.959 -15.968 -8.466 1.00 29.87 C -ATOM 61 CH2 TRP A 8 5.818 -17.089 -8.475 1.00 30.00 C -ATOM 62 CZ2 TRP A 8 7.125 -16.976 -8.853 1.00 23.41 C -ATOM 63 C TRP A 8 7.314 -11.407 -7.523 1.00 11.19 C -ATOM 64 O TRP A 8 6.990 -12.099 -6.570 1.00 9.21 O -ATOM 65 N VAL A 9 8.447 -10.714 -7.548 1.00 10.48 N -ATOM 66 CA VAL A 9 9.376 -10.819 -6.462 1.00 13.92 C -ATOM 67 CB VAL A 9 10.764 -10.235 -6.799 1.00 19.41 C -ATOM 68 CG1 VAL A 9 11.594 -10.042 -5.537 1.00 25.01 C -ATOM 69 CG2 VAL A 9 11.483 -11.168 -7.734 1.00 20.11 C -ATOM 70 C VAL A 9 8.763 -10.253 -5.174 1.00 10.13 C -ATOM 71 O VAL A 9 8.949 -10.802 -4.133 1.00 7.20 O -ATOM 72 N MET A 10 7.988 -9.175 -5.278 1.00 10.15 N -ATOM 73 CA MET A 10 7.333 -8.639 -4.103 1.00 11.00 C -ATOM 74 CB MET A 10 6.600 -7.375 -4.509 1.00 14.36 C -ATOM 75 CG MET A 10 5.615 -6.846 -3.470 1.00 16.11 C -ATOM 76 SD MET A 10 6.452 -6.280 -1.975 1.00 21.05 S -ATOM 77 CE MET A 10 7.260 -4.802 -2.550 1.00 21.21 C -ATOM 78 C MET A 10 6.336 -9.668 -3.486 1.00 13.64 C -ATOM 79 O MET A 10 6.190 -9.728 -2.248 1.00 12.82 O -ATOM 80 N MET A 11 5.594 -10.390 -4.355 1.00 12.90 N -ATOM 81 CA MET A 11 4.613 -11.432 -3.942 1.00 14.44 C -ATOM 82 CB MET A 11 3.844 -11.979 -5.154 1.00 12.49 C -ATOM 83 CG MET A 11 2.834 -10.972 -5.684 1.00 14.38 C -ATOM 84 SD MET A 11 1.986 -11.347 -7.252 1.00 14.01 S -ATOM 85 CE MET A 11 0.570 -12.262 -6.627 1.00 15.48 C -ATOM 86 C MET A 11 5.331 -12.564 -3.211 1.00 13.69 C -ATOM 87 O MET A 11 4.982 -12.919 -2.094 1.00 13.74 O -ATOM 88 N ILE A 12 6.375 -13.087 -3.848 1.00 12.10 N -ATOM 89 CA ILE A 12 7.221 -14.091 -3.250 1.00 17.28 C -ATOM 90 CB ILE A 12 8.415 -14.378 -4.182 1.00 20.77 C -ATOM 91 CG1 ILE A 12 7.951 -15.219 -5.343 1.00 26.59 C -ATOM 92 CD1 ILE A 12 9.010 -15.348 -6.439 1.00 37.38 C -ATOM 93 CG2 ILE A 12 9.547 -15.074 -3.436 1.00 23.33 C -ATOM 94 C ILE A 12 7.729 -13.627 -1.872 1.00 13.47 C -ATOM 95 O ILE A 12 7.610 -14.326 -0.866 1.00 14.37 O -ATOM 96 N ALA A 13 8.294 -12.421 -1.842 1.00 14.13 N -ATOM 97 CA ALA A 13 8.860 -11.849 -0.642 1.00 11.62 C -ATOM 98 CB ALA A 13 9.471 -10.514 -0.928 1.00 10.69 C -ATOM 99 C ALA A 13 7.838 -11.730 0.486 1.00 13.08 C -ATOM 100 O ALA A 13 8.143 -12.075 1.604 1.00 14.09 O -ATOM 101 N CYS A 14 6.622 -11.261 0.172 1.00 12.24 N -ATOM 102 CA CYS A 14 5.558 -11.156 1.177 1.00 14.03 C -ATOM 103 CB CYS A 14 4.341 -10.402 0.590 1.00 12.92 C -ATOM 104 SG CYS A 14 4.621 -8.636 0.447 1.00 12.25 S -ATOM 105 C CYS A 14 5.105 -12.542 1.729 1.00 12.57 C -ATOM 106 O CYS A 14 4.805 -12.697 2.925 1.00 9.48 O -ATOM 107 N VAL A 15 5.076 -13.539 0.842 1.00 9.94 N -ATOM 108 CA VAL A 15 4.679 -14.861 1.237 1.00 11.41 C -ATOM 109 CB VAL A 15 4.373 -15.728 0.034 1.00 11.06 C -ATOM 110 CG1 VAL A 15 4.132 -17.142 0.511 1.00 10.96 C -ATOM 111 CG2 VAL A 15 3.131 -15.164 -0.702 1.00 10.71 C -ATOM 112 C VAL A 15 5.733 -15.491 2.148 1.00 13.34 C -ATOM 113 O VAL A 15 5.409 -16.033 3.218 1.00 9.03 O -ATOM 114 N VAL A 16 6.996 -15.384 1.738 1.00 13.58 N -ATOM 115 CA VAL A 16 8.106 -15.901 2.555 1.00 18.01 C -ATOM 116 CB VAL A 16 9.464 -15.715 1.842 1.00 16.91 C -ATOM 117 CG1 VAL A 16 10.612 -16.003 2.776 1.00 20.52 C -ATOM 118 CG2 VAL A 16 9.570 -16.660 0.666 1.00 15.20 C -ATOM 119 C VAL A 16 8.107 -15.251 3.959 1.00 12.72 C -ATOM 120 O VAL A 16 8.268 -15.933 4.956 1.00 10.60 O -ATOM 121 N VAL A 17 7.944 -13.925 4.011 1.00 11.76 N -ATOM 122 CA VAL A 17 7.911 -13.241 5.273 1.00 11.25 C -ATOM 123 CB VAL A 17 7.926 -11.727 5.127 1.00 11.66 C -ATOM 124 CG1 VAL A 17 7.747 -11.059 6.516 1.00 11.72 C -ATOM 125 CG2 VAL A 17 9.239 -11.273 4.500 1.00 13.31 C -ATOM 126 C VAL A 17 6.704 -13.708 6.134 1.00 10.41 C -ATOM 127 O VAL A 17 6.841 -13.932 7.317 1.00 7.15 O -ATOM 128 N PHE A 18 5.547 -13.895 5.494 1.00 9.81 N -ATOM 129 CA PHE A 18 4.350 -14.342 6.184 1.00 8.70 C -ATOM 130 CB PHE A 18 3.179 -14.357 5.189 1.00 9.07 C -ATOM 131 CG PHE A 18 1.832 -14.538 5.846 1.00 9.17 C -ATOM 132 CD1 PHE A 18 1.288 -13.523 6.641 1.00 9.97 C -ATOM 133 CE1 PHE A 18 0.046 -13.679 7.239 1.00 11.77 C -ATOM 134 CZ PHE A 18 -0.654 -14.852 7.073 1.00 11.90 C -ATOM 135 CE2 PHE A 18 -0.117 -15.855 6.276 1.00 12.88 C -ATOM 136 CD2 PHE A 18 1.131 -15.678 5.673 1.00 9.87 C -ATOM 137 C PHE A 18 4.554 -15.716 6.824 1.00 8.93 C -ATOM 138 O PHE A 18 4.102 -15.981 7.941 1.00 9.10 O -ATOM 139 N ILE A 19 5.212 -16.618 6.086 1.00 8.90 N -ATOM 140 CA ILE A 19 5.544 -17.929 6.571 1.00 8.28 C -ATOM 141 CB ILE A 19 6.217 -18.758 5.476 1.00 9.07 C -ATOM 142 CG1 ILE A 19 5.181 -19.136 4.418 1.00 8.90 C -ATOM 143 CD1 ILE A 19 5.758 -19.919 3.252 1.00 10.23 C -ATOM 144 CG2 ILE A 19 6.806 -20.033 6.059 1.00 9.09 C -ATOM 145 C ILE A 19 6.464 -17.848 7.802 1.00 8.37 C -ATOM 146 O ILE A 19 6.225 -18.507 8.841 1.00 7.02 O -ATOM 147 N ALA A 20 7.508 -17.028 7.686 1.00 8.61 N -ATOM 148 CA ALA A 20 8.426 -16.808 8.776 1.00 8.46 C -ATOM 149 CB ALA A 20 9.462 -15.783 8.380 1.00 6.88 C -ATOM 150 C ALA A 20 7.645 -16.316 10.020 1.00 9.83 C -ATOM 151 O ALA A 20 7.957 -16.708 11.164 1.00 10.17 O -ATOM 152 N MET A 21 6.672 -15.416 9.793 1.00 8.36 N -ATOM 153 CA MET A 21 5.883 -14.867 10.851 1.00 7.84 C -ATOM 154 CB MET A 21 5.007 -13.716 10.331 1.00 10.18 C -ATOM 155 CG MET A 21 5.776 -12.503 9.876 1.00 9.75 C -ATOM 156 SD MET A 21 4.774 -11.168 9.186 1.00 11.62 S -ATOM 157 CE MET A 21 4.075 -10.549 10.726 1.00 11.65 C -ATOM 158 C MET A 21 5.046 -15.971 11.500 1.00 8.45 C -ATOM 159 O MET A 21 4.845 -15.966 12.720 1.00 9.99 O -ATOM 160 N GLN A 22 4.561 -16.943 10.715 1.00 8.76 N -ATOM 161 CA GLN A 22 3.739 -18.045 11.321 1.00 8.75 C -ATOM 162 CB GLN A 22 2.933 -18.872 10.292 1.00 8.72 C -ATOM 163 CG GLN A 22 2.064 -18.085 9.301 1.00 13.04 C -ATOM 164 CD GLN A 22 1.343 -16.878 9.919 1.00 12.79 C -ATOM 165 OE1 GLN A 22 0.490 -17.054 10.783 1.00 11.44 O -ATOM 166 NE2 GLN A 22 1.701 -15.655 9.487 1.00 13.13 N -ATOM 167 C GLN A 22 4.582 -19.015 12.171 1.00 8.93 C -ATOM 168 O GLN A 22 4.099 -19.581 13.116 1.00 9.72 O -ATOM 169 N ILE A 23 5.837 -19.231 11.786 1.00 8.82 N -ATOM 170 CA ILE A 23 6.727 -20.147 12.471 1.00 8.84 C -ATOM 171 CB ILE A 23 7.929 -20.507 11.554 1.00 10.62 C -ATOM 172 CG1 ILE A 23 7.452 -21.279 10.302 1.00 13.09 C -ATOM 173 CD1 ILE A 23 8.500 -21.324 9.200 1.00 14.05 C -ATOM 174 CG2 ILE A 23 8.981 -21.309 12.309 1.00 8.45 C -ATOM 175 C ILE A 23 7.273 -19.488 13.731 1.00 8.69 C -ATOM 176 O ILE A 23 7.214 -20.029 14.814 1.00 8.45 O -ATOM 177 N LEU A 24 7.835 -18.292 13.557 1.00 9.04 N -ATOM 178 CA LEU A 24 8.558 -17.568 14.597 1.00 9.19 C -ATOM 179 CB LEU A 24 9.602 -16.716 13.910 1.00 9.90 C -ATOM 180 CG LEU A 24 10.718 -17.421 13.133 1.00 12.76 C -ATOM 181 CD1 LEU A 24 11.684 -16.390 12.536 1.00 13.73 C -ATOM 182 CD2 LEU A 24 11.447 -18.418 14.045 1.00 13.72 C -ATOM 183 C LEU A 24 7.656 -16.649 15.474 1.00 10.54 C -ATOM 184 O LEU A 24 8.068 -16.215 16.574 1.00 10.70 O -ATOM 185 N GLY A 25 6.447 -16.338 14.966 1.00 9.22 N -ATOM 186 CA GLY A 25 5.558 -15.380 15.585 1.00 8.44 C -ATOM 187 C GLY A 25 5.837 -14.013 14.985 1.00 7.11 C -ATOM 188 O GLY A 25 6.937 -13.702 14.529 1.00 8.08 O -ATOM 189 N ASP A 26 4.798 -13.191 14.924 1.00 7.41 N -ATOM 190 CA ASP A 26 4.897 -11.830 14.382 1.00 8.57 C -ATOM 191 CB ASP A 26 3.566 -11.120 14.566 1.00 8.77 C -ATOM 192 CG ASP A 26 2.440 -11.720 13.703 1.00 11.15 C -ATOM 193 OD1 ASP A 26 2.682 -12.690 12.905 1.00 9.80 O -ATOM 194 OD2 ASP A 26 1.296 -11.230 13.883 1.00 13.47 O -ATOM 195 C ASP A 26 5.984 -10.949 15.009 1.00 8.19 C -ATOM 196 O ASP A 26 6.703 -10.238 14.312 1.00 7.73 O -ATOM 197 N GLN A 27 6.107 -11.006 16.338 1.00 9.65 N -ATOM 199 CA GLN A 27 6.937 -10.027 17.036 1.00 10.93 C -ATOM 201 CB GLN A 27 6.497 -9.760 18.507 1.00 12.23 C -ATOM 203 CG GLN A 27 5.760 -10.828 19.332 1.00 14.65 C -ATOM 205 CD GLN A 27 4.538 -11.482 18.682 1.00 13.37 C -ATOM 207 OE1 GLN A 27 4.547 -12.668 18.437 1.00 10.98 O -ATOM 209 NE2 GLN A 27 3.489 -10.710 18.418 1.00 18.13 N -ATOM 211 C GLN A 27 8.457 -10.307 16.841 1.00 10.39 C -ATOM 213 O GLN A 27 9.260 -9.381 16.815 1.00 8.26 O -ATOM 215 N GLU A 28 8.826 -11.582 16.664 1.00 9.56 N -ATOM 216 CA GLU A 28 10.207 -11.959 16.296 1.00 8.86 C -ATOM 217 CB GLU A 28 10.376 -13.468 16.305 1.00 10.52 C -ATOM 218 CG GLU A 28 11.761 -13.954 15.918 1.00 12.28 C -ATOM 219 CD GLU A 28 12.847 -13.427 16.817 1.00 13.68 C -ATOM 220 OE1 GLU A 28 12.612 -13.190 18.014 1.00 16.22 O -ATOM 221 OE2 GLU A 28 13.952 -13.251 16.321 1.00 18.20 O -ATOM 222 C GLU A 28 10.562 -11.432 14.918 1.00 7.50 C -ATOM 223 O GLU A 28 11.666 -10.995 14.714 1.00 6.97 O -ATOM 224 N VAL A 29 9.613 -11.450 13.981 1.00 7.10 N -ATOM 225 CA VAL A 29 9.848 -10.919 12.653 1.00 7.74 C -ATOM 226 CB VAL A 29 8.932 -11.495 11.548 1.00 7.94 C -ATOM 227 CG1 VAL A 29 9.294 -10.909 10.168 1.00 8.07 C -ATOM 228 CG2 VAL A 29 9.083 -13.019 11.461 1.00 8.53 C -ATOM 229 C VAL A 29 9.861 -9.382 12.648 1.00 9.26 C -ATOM 230 O VAL A 29 10.734 -8.782 12.016 1.00 11.33 O -ATOM 231 N MET A 30 8.914 -8.740 13.331 1.00 10.79 N -ATOM 232 CA MET A 30 9.000 -7.279 13.596 1.00 11.74 C -ATOM 233 CB MET A 30 7.963 -6.840 14.630 1.00 14.27 C -ATOM 234 CG MET A 30 6.452 -7.035 14.253 1.00 15.81 C -ATOM 235 SD MET A 30 5.757 -5.469 13.759 1.00 33.08 S -ATOM 236 CE MET A 30 6.421 -5.522 12.146 1.00 20.74 C -ATOM 237 C MET A 30 10.413 -6.868 14.095 1.00 14.59 C -ATOM 238 O MET A 30 11.002 -5.861 13.607 1.00 12.77 O -ATOM 239 N LEU A 31 10.986 -7.646 15.026 1.00 14.76 N -ATOM 240 CA LEU A 31 12.338 -7.346 15.540 1.00 15.82 C -ATOM 241 CB LEU A 31 12.917 -8.454 16.374 1.00 17.44 C -ATOM 242 CG LEU A 31 12.514 -8.626 17.811 1.00 16.70 C -ATOM 243 CD1 LEU A 31 13.618 -9.467 18.425 1.00 17.12 C -ATOM 244 CD2 LEU A 31 12.357 -7.313 18.555 1.00 21.43 C -ATOM 245 C LEU A 31 13.356 -7.112 14.449 1.00 14.45 C -ATOM 246 O LEU A 31 14.234 -6.256 14.575 1.00 13.84 O -ATOM 247 N TRP A 32 13.257 -7.888 13.378 1.00 12.40 N -ATOM 248 CA TRP A 32 14.201 -7.790 12.271 1.00 14.56 C -ATOM 249 CB TRP A 32 14.432 -9.175 11.616 1.00 18.78 C -ATOM 250 CG TRP A 32 15.448 -9.972 12.409 1.00 32.68 C -ATOM 251 CD1 TRP A 32 15.271 -10.505 13.658 1.00 39.08 C -ATOM 252 NE1 TRP A 32 16.422 -11.115 14.082 1.00 42.94 N -ATOM 253 CE2 TRP A 32 17.382 -10.983 13.114 1.00 50.90 C -ATOM 254 CD2 TRP A 32 16.808 -10.251 12.046 1.00 45.18 C -ATOM 255 CE3 TRP A 32 17.593 -9.978 10.912 1.00 57.47 C -ATOM 256 CZ3 TRP A 32 18.914 -10.448 10.881 1.00 57.42 C -ATOM 257 CH2 TRP A 32 19.453 -11.179 11.964 1.00 59.65 C -ATOM 258 CZ2 TRP A 32 18.710 -11.453 13.082 1.00 59.24 C -ATOM 259 C TRP A 32 13.813 -6.764 11.241 1.00 14.53 C -ATOM 260 O TRP A 32 14.679 -6.084 10.708 1.00 15.15 O -ATOM 261 N LEU A 33 12.512 -6.673 10.934 1.00 14.48 N -ATOM 262 CA LEU A 33 12.063 -5.938 9.742 1.00 13.03 C -ATOM 263 CB LEU A 33 11.231 -6.839 8.872 1.00 11.82 C -ATOM 264 CG LEU A 33 11.916 -8.085 8.312 1.00 15.06 C -ATOM 265 CD1 LEU A 33 10.908 -8.844 7.464 1.00 16.02 C -ATOM 266 CD2 LEU A 33 13.125 -7.732 7.475 1.00 17.26 C -ATOM 267 C LEU A 33 11.275 -4.670 10.005 1.00 12.50 C -ATOM 268 O LEU A 33 10.924 -3.982 9.072 1.00 14.24 O -ATOM 269 N ALA A 34 10.906 -4.409 11.260 1.00 11.25 N -ATOM 270 CA ALA A 34 10.055 -3.265 11.556 1.00 14.07 C -ATOM 271 CB ALA A 34 9.464 -3.343 12.948 1.00 12.90 C -ATOM 272 C ALA A 34 10.862 -1.972 11.393 1.00 10.89 C -ATOM 273 O ALA A 34 12.083 -1.976 11.509 1.00 9.58 O -ATOM 274 N TRP A 35 10.156 -0.892 11.096 1.00 9.03 N -ATOM 275 CA TRP A 35 10.694 0.461 11.257 1.00 10.73 C -ATOM 276 CB TRP A 35 9.519 1.450 11.258 1.00 8.48 C -ATOM 277 CG TRP A 35 9.953 2.908 11.118 1.00 8.22 C -ATOM 278 CD1 TRP A 35 10.380 3.720 12.118 1.00 7.83 C -ATOM 279 NE1 TRP A 35 10.630 4.943 11.637 1.00 7.62 N -ATOM 280 CE2 TRP A 35 10.425 4.946 10.283 1.00 7.64 C -ATOM 281 CD2 TRP A 35 9.968 3.687 9.933 1.00 7.37 C -ATOM 282 CE3 TRP A 35 9.657 3.426 8.584 1.00 9.38 C -ATOM 283 CZ3 TRP A 35 9.806 4.467 7.640 1.00 7.84 C -ATOM 284 CH2 TRP A 35 10.231 5.726 8.041 1.00 8.57 C -ATOM 285 CZ2 TRP A 35 10.568 5.988 9.346 1.00 7.63 C -ATOM 286 C TRP A 35 11.473 0.591 12.564 1.00 11.27 C -ATOM 287 O TRP A 35 11.039 0.084 13.588 1.00 9.35 O -ATOM 288 N PRO A 36 12.630 1.294 12.607 1.00 12.00 N -ATOM 289 CA PRO A 36 13.447 1.310 13.820 1.00 11.46 C -ATOM 290 CB PRO A 36 14.522 2.319 13.504 1.00 11.66 C -ATOM 291 CG PRO A 36 14.582 2.345 12.018 1.00 13.54 C -ATOM 292 CD PRO A 36 13.223 2.064 11.507 1.00 13.31 C -ATOM 293 C PRO A 36 12.641 1.730 15.018 1.00 11.59 C -ATOM 294 O PRO A 36 12.042 2.794 15.025 1.00 10.46 O -ATOM 295 N PHE A 37 12.627 0.877 16.039 1.00 13.56 N -ATOM 296 CA PHE A 37 11.837 1.134 17.237 1.00 14.55 C -ATOM 297 CB PHE A 37 10.942 -0.076 17.581 1.00 13.96 C -ATOM 298 CG PHE A 37 11.636 -1.389 17.461 1.00 11.55 C -ATOM 299 CD2 PHE A 37 11.578 -2.110 16.295 1.00 12.09 C -ATOM 300 CE2 PHE A 37 12.272 -3.313 16.164 1.00 11.27 C -ATOM 301 CZ PHE A 37 12.975 -3.807 17.225 1.00 11.14 C -ATOM 302 CE1 PHE A 37 13.028 -3.091 18.409 1.00 11.63 C -ATOM 303 CD1 PHE A 37 12.377 -1.886 18.514 1.00 12.46 C -ATOM 304 C PHE A 37 12.760 1.481 18.373 1.00 13.37 C -ATOM 305 O PHE A 37 12.327 1.709 19.470 1.00 14.81 O -ATOM 306 N ASP A 38 14.051 1.563 18.077 1.00 17.05 N -ATOM 307 CA ASP A 38 15.077 1.974 19.034 1.00 19.15 C -ATOM 308 CB ASP A 38 15.754 0.733 19.594 1.00 20.34 C -ATOM 309 CG ASP A 38 16.512 1.021 20.857 1.00 30.28 C -ATOM 310 OD1 ASP A 38 15.880 1.546 21.791 1.00 44.07 O -ATOM 311 OD2 ASP A 38 17.730 0.757 20.916 1.00 34.29 O -ATOM 312 C ASP A 38 16.108 2.803 18.274 1.00 15.90 C -ATOM 313 O ASP A 38 16.409 2.475 17.125 1.00 16.79 O -ATOM 314 N PRO A 39 16.726 3.847 18.887 1.00 20.32 N -ATOM 315 CA PRO A 39 17.758 4.638 18.197 1.00 16.16 C -ATOM 316 CB PRO A 39 18.292 5.580 19.280 1.00 15.98 C -ATOM 317 CG PRO A 39 17.288 5.549 20.376 1.00 18.68 C -ATOM 318 CD PRO A 39 16.472 4.307 20.268 1.00 17.52 C -ATOM 319 C PRO A 39 18.915 3.817 17.670 1.00 16.16 C -ATOM 320 O PRO A 39 19.467 4.133 16.618 1.00 21.77 O -ATOM 321 N THR A 40 19.278 2.752 18.386 1.00 11.59 N -ATOM 322 CA THR A 40 20.338 1.899 17.939 1.00 10.55 C -ATOM 323 CB THR A 40 20.679 0.868 19.003 1.00 11.60 C -ATOM 324 OG1 THR A 40 19.525 0.082 19.253 1.00 18.55 O -ATOM 325 CG2 THR A 40 21.074 1.516 20.310 1.00 10.47 C -ATOM 326 C THR A 40 20.046 1.185 16.597 1.00 12.17 C -ATOM 327 O THR A 40 20.952 0.586 16.025 1.00 13.12 O -ATOM 328 N LEU A 41 18.794 1.230 16.111 1.00 10.51 N -ATOM 329 CA LEU A 41 18.411 0.545 14.873 1.00 11.95 C -ATOM 330 CB LEU A 41 17.076 -0.217 15.045 1.00 14.91 C -ATOM 331 CG LEU A 41 16.985 -1.146 16.310 1.00 17.34 C -ATOM 332 CD1 LEU A 41 15.662 -1.879 16.450 1.00 16.53 C -ATOM 333 CD2 LEU A 41 18.115 -2.163 16.345 1.00 15.46 C -ATOM 334 C LEU A 41 18.336 1.508 13.689 1.00 12.84 C -ATOM 335 O LEU A 41 18.029 1.107 12.562 1.00 11.38 O -ATOM 336 N LYS A 42 18.626 2.787 13.960 1.00 12.67 N -ATOM 337 CA LYS A 42 18.438 3.849 13.005 1.00 13.81 C -ATOM 338 CB LYS A 42 18.728 5.195 13.671 1.00 16.24 C -ATOM 339 CG LYS A 42 20.198 5.448 14.021 1.00 22.83 C -ATOM 340 CD LYS A 42 20.372 6.572 15.062 1.00 21.04 C -ATOM 341 CE LYS A 42 21.612 6.373 15.930 1.00 23.94 C -ATOM 342 NZ LYS A 42 21.441 7.014 17.278 1.00 32.66 N -ATOM 343 C LYS A 42 19.288 3.624 11.752 1.00 15.51 C -ATOM 344 O LYS A 42 18.875 4.014 10.650 1.00 11.66 O -ATOM 345 N PHE A 43 20.441 2.951 11.906 1.00 17.22 N -ATOM 346 CA PHE A 43 21.322 2.685 10.759 1.00 20.93 C -ATOM 347 CB PHE A 43 22.765 2.668 11.234 1.00 22.33 C -ATOM 348 CG PHE A 43 23.179 3.926 11.967 1.00 20.58 C -ATOM 349 CD1 PHE A 43 23.285 5.135 11.286 1.00 20.68 C -ATOM 350 CE1 PHE A 43 23.682 6.295 11.934 1.00 24.15 C -ATOM 351 CZ PHE A 43 23.982 6.260 13.291 1.00 26.39 C -ATOM 352 CE2 PHE A 43 23.893 5.052 13.987 1.00 32.87 C -ATOM 353 CD2 PHE A 43 23.480 3.895 13.325 1.00 28.63 C -ATOM 354 C PHE A 43 20.991 1.450 9.887 1.00 27.18 C -ATOM 355 O PHE A 43 21.537 1.300 8.780 1.00 25.90 O -ATOM 356 N GLU A 44 20.045 0.627 10.359 1.00 22.49 N -ATOM 357 CA GLU A 44 19.618 -0.596 9.682 1.00 15.89 C -ATOM 358 CB GLU A 44 19.066 -1.574 10.719 1.00 15.72 C -ATOM 359 CG GLU A 44 20.166 -2.044 11.659 1.00 15.25 C -ATOM 360 CD GLU A 44 19.742 -3.024 12.758 1.00 21.01 C -ATOM 361 OE1 GLU A 44 18.582 -3.479 12.850 1.00 16.50 O -ATOM 362 OE2 GLU A 44 20.606 -3.344 13.600 1.00 23.93 O -ATOM 363 C GLU A 44 18.623 -0.206 8.582 1.00 16.81 C -ATOM 364 O GLU A 44 17.383 -0.284 8.758 1.00 11.81 O -ATOM 365 N PHE A 45 19.208 0.153 7.425 1.00 16.82 N -ATOM 367 CA PHE A 45 18.572 0.864 6.300 1.00 19.36 C -ATOM 369 CB PHE A 45 19.584 1.142 5.127 1.00 23.18 C -ATOM 371 CG PHE A 45 20.207 -0.109 4.496 1.00 30.12 C -ATOM 373 CD1 PHE A 45 21.341 -0.704 5.047 1.00 31.35 C -ATOM 375 CE1 PHE A 45 21.906 -1.834 4.470 1.00 34.10 C -ATOM 377 CZ PHE A 45 21.353 -2.380 3.330 1.00 29.11 C -ATOM 379 CE2 PHE A 45 20.233 -1.801 2.765 1.00 29.48 C -ATOM 381 CD2 PHE A 45 19.671 -0.670 3.333 1.00 33.40 C -ATOM 383 C PHE A 45 17.313 0.215 5.765 1.00 15.69 C -ATOM 385 O PHE A 45 16.364 0.901 5.374 1.00 15.15 O -ATOM 387 N TRP A 46 17.327 -1.119 5.733 1.00 15.30 N -ATOM 388 CA TRP A 46 16.227 -1.921 5.203 1.00 12.11 C -ATOM 389 CB TRP A 46 16.585 -3.400 5.253 1.00 11.86 C -ATOM 390 CG TRP A 46 16.706 -3.980 6.624 1.00 11.95 C -ATOM 391 CD1 TRP A 46 15.699 -4.504 7.362 1.00 14.46 C -ATOM 392 NE1 TRP A 46 16.180 -4.950 8.572 1.00 13.21 N -ATOM 393 CE2 TRP A 46 17.534 -4.767 8.603 1.00 12.73 C -ATOM 394 CD2 TRP A 46 17.901 -4.169 7.391 1.00 14.22 C -ATOM 395 CE3 TRP A 46 19.263 -3.885 7.166 1.00 19.55 C -ATOM 396 CZ3 TRP A 46 20.180 -4.178 8.173 1.00 16.83 C -ATOM 397 CH2 TRP A 46 19.770 -4.781 9.369 1.00 19.93 C -ATOM 398 CZ2 TRP A 46 18.462 -5.088 9.602 1.00 16.01 C -ATOM 399 C TRP A 46 14.900 -1.646 5.941 1.00 11.22 C -ATOM 400 O TRP A 46 13.861 -1.686 5.340 1.00 12.05 O -ATOM 401 N ARG A 47 14.966 -1.399 7.256 1.00 12.46 N -ATOM 402 CA ARG A 47 13.775 -1.165 8.088 1.00 12.68 C -ATOM 403 CB ARG A 47 14.195 -0.786 9.496 1.00 11.77 C -ATOM 404 CG ARG A 47 14.911 -1.928 10.162 1.00 11.77 C -ATOM 405 CD ARG A 47 15.320 -1.562 11.546 1.00 12.31 C -ATOM 406 NE ARG A 47 15.974 -2.657 12.233 1.00 14.80 N -ATOM 407 CZ ARG A 47 15.356 -3.632 12.912 1.00 17.44 C -ATOM 408 NH1 ARG A 47 14.035 -3.660 13.052 1.00 16.23 N -ATOM 409 NH2 ARG A 47 16.072 -4.565 13.519 1.00 14.30 N -ATOM 410 C ARG A 47 12.816 -0.088 7.550 1.00 12.29 C -ATOM 411 O ARG A 47 11.620 -0.119 7.838 1.00 9.14 O -ATOM 412 N TYR A 48 13.343 0.873 6.776 1.00 10.04 N -ATOM 413 CA TYR A 48 12.534 1.999 6.333 1.00 10.43 C -ATOM 414 CB TYR A 48 13.446 3.210 5.933 1.00 10.84 C -ATOM 415 CG TYR A 48 14.274 3.728 7.097 1.00 7.71 C -ATOM 416 CD1 TYR A 48 13.675 4.446 8.125 1.00 7.71 C -ATOM 417 CE1 TYR A 48 14.391 4.927 9.197 1.00 6.25 C -ATOM 418 CZ TYR A 48 15.736 4.699 9.264 1.00 6.42 C -ATOM 419 OH TYR A 48 16.451 5.205 10.351 1.00 6.77 O -ATOM 420 CE2 TYR A 48 16.370 4.013 8.256 1.00 6.94 C -ATOM 421 CD2 TYR A 48 15.646 3.529 7.177 1.00 8.10 C -ATOM 422 C TYR A 48 11.625 1.551 5.216 1.00 10.47 C -ATOM 423 O TYR A 48 10.669 2.252 4.859 1.00 9.93 O -ATOM 424 N PHE A 49 11.896 0.343 4.715 1.00 10.22 N -ATOM 425 CA PHE A 49 11.135 -0.311 3.640 1.00 13.54 C -ATOM 426 CB PHE A 49 12.059 -0.523 2.419 1.00 13.65 C -ATOM 427 CG PHE A 49 12.760 0.760 1.998 1.00 10.24 C -ATOM 428 CD1 PHE A 49 12.161 1.633 1.105 1.00 11.08 C -ATOM 429 CE1 PHE A 49 12.759 2.827 0.752 1.00 9.94 C -ATOM 430 CZ PHE A 49 13.979 3.136 1.306 1.00 10.35 C -ATOM 431 CE2 PHE A 49 14.561 2.283 2.220 1.00 10.99 C -ATOM 432 CD2 PHE A 49 13.946 1.108 2.554 1.00 9.51 C -ATOM 433 C PHE A 49 10.460 -1.649 4.021 1.00 11.86 C -ATOM 434 O PHE A 49 9.340 -1.924 3.600 1.00 11.51 O -ATOM 435 N THR A 50 11.132 -2.454 4.835 1.00 12.55 N -ATOM 436 CA THR A 50 10.706 -3.817 5.021 1.00 14.45 C -ATOM 437 CB THR A 50 11.825 -4.683 5.550 1.00 15.19 C -ATOM 438 OG1 THR A 50 12.318 -4.100 6.747 1.00 14.97 O -ATOM 439 CG2 THR A 50 12.941 -4.883 4.467 1.00 15.23 C -ATOM 440 C THR A 50 9.472 -3.996 5.952 1.00 14.00 C -ATOM 441 O THR A 50 8.894 -5.071 5.971 1.00 13.59 O -ATOM 442 N HIS A 51 9.049 -2.926 6.651 1.00 12.10 N -ATOM 443 CA HIS A 51 7.741 -2.870 7.294 1.00 11.62 C -ATOM 444 CB HIS A 51 7.504 -1.498 7.935 1.00 13.56 C -ATOM 445 CG HIS A 51 7.517 -0.368 6.944 1.00 12.87 C -ATOM 446 ND1 HIS A 51 6.424 -0.058 6.161 1.00 8.49 N -ATOM 447 CE1 HIS A 51 6.751 0.937 5.347 1.00 12.06 C -ATOM 448 NE2 HIS A 51 8.020 1.270 5.563 1.00 12.69 N -ATOM 449 CD2 HIS A 51 8.527 0.451 6.542 1.00 9.97 C -ATOM 450 C HIS A 51 6.588 -3.247 6.285 1.00 12.16 C -ATOM 451 O HIS A 51 5.570 -3.901 6.646 1.00 11.44 O -ATOM 452 N ALA A 52 6.782 -2.920 5.009 1.00 10.69 N -ATOM 453 CA ALA A 52 5.792 -3.225 3.980 1.00 11.23 C -ATOM 454 CB ALA A 52 6.049 -2.411 2.723 1.00 13.23 C -ATOM 455 C ALA A 52 5.590 -4.714 3.606 1.00 9.35 C -ATOM 456 O ALA A 52 4.541 -5.065 3.031 1.00 9.41 O -ATOM 457 N LEU A 53 6.529 -5.558 4.020 1.00 9.87 N -ATOM 458 CA LEU A 53 6.582 -7.007 3.685 1.00 12.33 C -ATOM 459 CB LEU A 53 8.027 -7.472 3.539 1.00 11.52 C -ATOM 460 CG LEU A 53 8.813 -6.760 2.419 1.00 16.11 C -ATOM 461 CD1 LEU A 53 10.205 -7.351 2.326 1.00 15.54 C -ATOM 462 CD2 LEU A 53 8.133 -6.877 1.051 1.00 16.40 C -ATOM 463 C LEU A 53 5.914 -7.919 4.703 1.00 13.74 C -ATOM 464 O LEU A 53 5.790 -9.103 4.459 1.00 16.46 O -ATOM 465 N MET A 54 5.496 -7.350 5.850 1.00 14.40 N -ATOM 466 CA MET A 54 4.912 -8.104 6.959 1.00 10.98 C -ATOM 467 CB MET A 54 5.435 -7.523 8.256 1.00 10.55 C -ATOM 468 CG MET A 54 6.837 -7.941 8.549 1.00 13.54 C -ATOM 469 SD MET A 54 7.442 -7.388 10.143 1.00 10.40 S -ATOM 470 CE MET A 54 7.632 -5.641 9.703 1.00 9.03 C -ATOM 471 C MET A 54 3.380 -7.945 6.943 1.00 12.18 C -ATOM 472 O MET A 54 2.852 -6.845 6.774 1.00 12.58 O -ATOM 473 N HIS A 55 2.666 -9.061 7.105 1.00 12.28 N -ATOM 474 CA HIS A 55 1.254 -9.038 7.304 1.00 11.39 C -ATOM 475 CB HIS A 55 0.535 -9.569 6.072 1.00 11.48 C -ATOM 476 CG HIS A 55 0.784 -8.753 4.859 1.00 12.61 C -ATOM 477 ND1 HIS A 55 1.853 -8.987 4.009 1.00 13.59 N -ATOM 478 CE1 HIS A 55 1.832 -8.100 3.037 1.00 14.30 C -ATOM 479 NE2 HIS A 55 0.810 -7.282 3.234 1.00 12.53 N -ATOM 480 CD2 HIS A 55 0.139 -7.670 4.372 1.00 14.17 C -ATOM 481 C HIS A 55 0.831 -9.784 8.557 1.00 11.45 C -ATOM 482 O HIS A 55 1.398 -10.773 8.900 1.00 13.10 O -ATOM 483 N PHE A 56 -0.227 -9.292 9.206 1.00 10.11 N -ATOM 484 CA PHE A 56 -0.711 -9.842 10.479 1.00 9.89 C -ATOM 485 CB PHE A 56 -1.002 -8.694 11.442 1.00 10.76 C -ATOM 486 CG PHE A 56 0.162 -7.772 11.593 1.00 13.55 C -ATOM 487 CD1 PHE A 56 1.375 -8.261 12.121 1.00 14.41 C -ATOM 488 CE1 PHE A 56 2.491 -7.431 12.241 1.00 21.55 C -ATOM 489 CZ PHE A 56 2.407 -6.103 11.840 1.00 23.29 C -ATOM 490 CE2 PHE A 56 1.194 -5.596 11.362 1.00 17.99 C -ATOM 491 CD2 PHE A 56 0.082 -6.442 11.221 1.00 17.37 C -ATOM 492 C PHE A 56 -1.897 -10.718 10.371 1.00 8.06 C -ATOM 493 O PHE A 56 -2.249 -11.358 11.320 1.00 11.21 O -ATOM 494 N SER A 57 -2.510 -10.759 9.197 1.00 9.25 N -ATOM 495 CA SER A 57 -3.650 -11.577 8.950 1.00 12.25 C -ATOM 496 CB SER A 57 -4.950 -10.814 9.280 1.00 12.81 C -ATOM 497 OG SER A 57 -5.333 -9.979 8.196 1.00 15.25 O -ATOM 498 C SER A 57 -3.662 -12.062 7.482 1.00 12.91 C -ATOM 499 O SER A 57 -3.208 -11.379 6.569 1.00 14.35 O -ATOM 500 N LEU A 58 -4.222 -13.261 7.313 1.00 10.97 N -ATOM 501 CA LEU A 58 -4.440 -13.937 6.075 1.00 11.43 C -ATOM 502 CB LEU A 58 -5.157 -15.251 6.424 1.00 12.33 C -ATOM 503 CG LEU A 58 -5.603 -16.081 5.255 1.00 12.79 C -ATOM 504 CD1 LEU A 58 -4.385 -16.283 4.359 1.00 11.89 C -ATOM 505 CD2 LEU A 58 -6.184 -17.409 5.757 1.00 14.25 C -ATOM 506 C LEU A 58 -5.305 -13.120 5.123 1.00 13.71 C -ATOM 507 O LEU A 58 -5.037 -13.004 3.919 1.00 11.94 O -ATOM 508 N MET A 59 -6.373 -12.548 5.675 1.00 16.33 N -ATOM 509 CA MET A 59 -7.308 -11.761 4.880 1.00 18.57 C -ATOM 510 CB MET A 59 -8.523 -11.430 5.759 1.00 23.05 C -ATOM 511 CG MET A 59 -9.218 -10.121 5.496 1.00 26.57 C -ATOM 513 SD MET A 59 -11.005 -10.356 5.575 1.00 22.79 S -ATOM 515 CE MET A 59 -11.425 -8.654 5.217 1.00 24.88 C -ATOM 517 C MET A 59 -6.560 -10.569 4.225 1.00 17.18 C -ATOM 518 O MET A 59 -6.691 -10.363 3.019 1.00 14.21 O -ATOM 519 N HIS A 60 -5.695 -9.889 4.997 1.00 14.12 N -ATOM 520 CA HIS A 60 -4.974 -8.715 4.526 1.00 16.07 C -ATOM 521 CB HIS A 60 -4.508 -7.895 5.711 1.00 22.58 C -ATOM 522 CG HIS A 60 -5.634 -7.181 6.391 1.00 33.20 C -ATOM 523 ND1 HIS A 60 -5.454 -6.294 7.433 1.00 45.90 N -ATOM 524 CE1 HIS A 60 -6.632 -5.823 7.805 1.00 78.09 C -ATOM 525 NE2 HIS A 60 -7.567 -6.364 7.039 1.00 53.30 N -ATOM 526 CD2 HIS A 60 -6.963 -7.203 6.142 1.00 50.39 C -ATOM 527 C HIS A 60 -3.843 -9.014 3.529 1.00 12.01 C -ATOM 528 O HIS A 60 -3.701 -8.288 2.529 1.00 10.26 O -ATOM 529 N ILE A 61 -3.091 -10.099 3.751 1.00 8.67 N -ATOM 530 CA ILE A 61 -2.113 -10.496 2.771 1.00 8.62 C -ATOM 531 CB ILE A 61 -1.111 -11.537 3.263 1.00 7.58 C -ATOM 532 CG1 ILE A 61 0.061 -11.627 2.257 1.00 8.87 C -ATOM 533 CD1 ILE A 61 1.176 -12.566 2.673 1.00 7.23 C -ATOM 534 CG2 ILE A 61 -1.739 -12.887 3.481 1.00 8.93 C -ATOM 535 C ILE A 61 -2.781 -10.809 1.441 1.00 8.60 C -ATOM 536 O ILE A 61 -2.318 -10.388 0.390 1.00 8.64 O -ATOM 537 N LEU A 62 -3.914 -11.488 1.482 1.00 12.67 N -ATOM 538 CA LEU A 62 -4.606 -11.907 0.265 1.00 13.90 C -ATOM 539 CB LEU A 62 -5.701 -12.923 0.561 1.00 18.30 C -ATOM 540 CG LEU A 62 -5.189 -14.344 0.883 1.00 22.68 C -ATOM 541 CD1 LEU A 62 -6.273 -15.192 1.564 1.00 23.25 C -ATOM 542 CD2 LEU A 62 -4.694 -15.048 -0.374 1.00 22.18 C -ATOM 543 C LEU A 62 -5.147 -10.730 -0.501 1.00 10.78 C -ATOM 544 O LEU A 62 -4.910 -10.610 -1.683 1.00 8.81 O -ATOM 545 N PHE A 63 -5.844 -9.823 0.181 1.00 12.10 N -ATOM 546 CA PHE A 63 -6.359 -8.625 -0.503 1.00 11.47 C -ATOM 547 CB PHE A 63 -7.398 -7.870 0.332 1.00 13.80 C -ATOM 548 CG PHE A 63 -8.748 -8.516 0.249 1.00 23.84 C -ATOM 549 CD1 PHE A 63 -9.471 -8.460 -0.953 1.00 33.75 C -ATOM 550 CE1 PHE A 63 -10.686 -9.109 -1.095 1.00 29.98 C -ATOM 551 CZ PHE A 63 -11.183 -9.845 -0.046 1.00 27.25 C -ATOM 552 CE2 PHE A 63 -10.479 -9.933 1.133 1.00 23.24 C -ATOM 553 CD2 PHE A 63 -9.250 -9.285 1.282 1.00 23.06 C -ATOM 554 C PHE A 63 -5.232 -7.716 -0.996 1.00 9.46 C -ATOM 555 O PHE A 63 -5.305 -7.258 -2.126 1.00 9.63 O -ATOM 556 N ASN A 64 -4.226 -7.450 -0.147 1.00 8.67 N -ATOM 557 CA ASN A 64 -3.081 -6.582 -0.482 1.00 9.14 C -ATOM 558 CB ASN A 64 -2.056 -6.410 0.690 1.00 11.48 C -ATOM 559 CG ASN A 64 -2.585 -5.576 1.867 1.00 11.60 C -ATOM 560 OD1 ASN A 64 -2.004 -5.460 3.029 1.00 17.42 O -ATOM 561 ND2 ASN A 64 -3.717 -4.988 1.583 1.00 12.68 N -ATOM 562 C ASN A 64 -2.413 -7.178 -1.754 1.00 8.26 C -ATOM 563 O ASN A 64 -2.132 -6.484 -2.718 1.00 10.86 O -ATOM 564 N LEU A 65 -2.201 -8.490 -1.782 1.00 8.25 N -ATOM 565 CA LEU A 65 -1.495 -9.075 -2.901 1.00 7.48 C -ATOM 566 CB LEU A 65 -0.840 -10.395 -2.562 1.00 6.64 C -ATOM 567 CG LEU A 65 0.385 -10.374 -1.655 1.00 6.96 C -ATOM 568 CD1 LEU A 65 1.033 -11.733 -1.534 1.00 6.37 C -ATOM 569 CD2 LEU A 65 1.481 -9.446 -2.085 1.00 8.07 C -ATOM 570 C LEU A 65 -2.323 -9.128 -4.148 1.00 8.20 C -ATOM 571 O LEU A 65 -1.755 -9.107 -5.242 1.00 10.57 O -ATOM 572 N LEU A 66 -3.649 -9.218 -3.996 1.00 9.34 N -ATOM 573 CA LEU A 66 -4.565 -9.256 -5.122 1.00 11.79 C -ATOM 574 CB LEU A 66 -6.012 -9.479 -4.623 1.00 16.80 C -ATOM 575 CG LEU A 66 -7.060 -9.502 -5.763 1.00 26.77 C -ATOM 576 CD1 LEU A 66 -6.868 -10.716 -6.683 1.00 25.49 C -ATOM 577 CD2 LEU A 66 -8.505 -9.390 -5.237 1.00 27.68 C -ATOM 578 C LEU A 66 -4.475 -7.927 -5.871 1.00 10.64 C -ATOM 579 O LEU A 66 -4.303 -7.889 -7.102 1.00 15.70 O -ATOM 580 N TRP A 67 -4.609 -6.842 -5.110 1.00 9.19 N -ATOM 581 CA TRP A 67 -4.509 -5.474 -5.597 1.00 11.28 C -ATOM 582 CB TRP A 67 -4.807 -4.482 -4.461 1.00 13.34 C -ATOM 583 CG TRP A 67 -6.264 -4.263 -4.178 1.00 19.06 C -ATOM 584 CD1 TRP A 67 -6.917 -4.480 -2.988 1.00 22.33 C -ATOM 585 NE1 TRP A 67 -8.222 -4.104 -3.085 1.00 19.58 N -ATOM 586 CE2 TRP A 67 -8.463 -3.644 -4.354 1.00 18.03 C -ATOM 587 CD2 TRP A 67 -7.233 -3.706 -5.069 1.00 17.86 C -ATOM 588 CE3 TRP A 67 -7.176 -3.237 -6.385 1.00 14.96 C -ATOM 589 CZ3 TRP A 67 -8.323 -2.755 -6.960 1.00 19.37 C -ATOM 590 CH2 TRP A 67 -9.562 -2.705 -6.214 1.00 21.11 C -ATOM 591 CZ2 TRP A 67 -9.637 -3.137 -4.915 1.00 14.32 C -ATOM 592 C TRP A 67 -3.137 -5.141 -6.165 1.00 8.88 C -ATOM 593 O TRP A 67 -3.056 -4.540 -7.211 1.00 8.19 O -ATOM 594 N TRP A 68 -2.074 -5.507 -5.428 1.00 10.01 N -ATOM 595 CA TRP A 68 -0.684 -5.403 -5.896 1.00 10.75 C -ATOM 596 CB TRP A 68 0.307 -5.939 -4.845 1.00 12.22 C -ATOM 597 CG TRP A 68 1.683 -6.189 -5.425 1.00 10.28 C -ATOM 598 CD1 TRP A 68 2.160 -7.372 -5.933 1.00 10.20 C -ATOM 599 NE1 TRP A 68 3.424 -7.209 -6.390 1.00 12.09 N -ATOM 600 CE2 TRP A 68 3.802 -5.912 -6.216 1.00 10.02 C -ATOM 601 CD2 TRP A 68 2.716 -5.242 -5.581 1.00 9.02 C -ATOM 602 CE3 TRP A 68 2.839 -3.887 -5.265 1.00 9.05 C -ATOM 603 CZ3 TRP A 68 4.069 -3.230 -5.564 1.00 10.67 C -ATOM 604 CH2 TRP A 68 5.151 -3.945 -6.180 1.00 10.46 C -ATOM 605 CZ2 TRP A 68 5.024 -5.272 -6.533 1.00 10.72 C -ATOM 606 C TRP A 68 -0.506 -6.150 -7.231 1.00 12.58 C -ATOM 607 O TRP A 68 0.033 -5.587 -8.198 1.00 12.72 O -ATOM 608 N TRP A 69 -1.002 -7.391 -7.304 1.00 9.65 N -ATOM 609 CA TRP A 69 -0.870 -8.160 -8.518 1.00 11.78 C -ATOM 610 CB TRP A 69 -1.416 -9.593 -8.306 1.00 14.65 C -ATOM 611 CG TRP A 69 -1.374 -10.564 -9.511 1.00 18.59 C -ATOM 612 CD1 TRP A 69 -0.332 -10.782 -10.357 1.00 24.42 C -ATOM 613 NE1 TRP A 69 -0.659 -11.723 -11.299 1.00 20.97 N -ATOM 614 CE2 TRP A 69 -1.936 -12.136 -11.078 1.00 26.76 C -ATOM 615 CD2 TRP A 69 -2.418 -11.427 -9.949 1.00 26.95 C -ATOM 616 CE3 TRP A 69 -3.706 -11.715 -9.471 1.00 44.22 C -ATOM 617 CZ3 TRP A 69 -4.475 -12.692 -10.144 1.00 53.68 C -ATOM 618 CH2 TRP A 69 -3.958 -13.366 -11.274 1.00 49.15 C -ATOM 619 CZ2 TRP A 69 -2.695 -13.105 -11.745 1.00 36.39 C -ATOM 620 C TRP A 69 -1.571 -7.457 -9.705 1.00 10.65 C -ATOM 621 O TRP A 69 -1.031 -7.390 -10.809 1.00 7.41 O -ATOM 622 N TYR A 70 -2.787 -6.964 -9.464 1.00 9.26 N -ATOM 623 CA TYR A 70 -3.541 -6.281 -10.513 1.00 10.38 C -ATOM 624 CB TYR A 70 -5.022 -6.142 -10.124 1.00 11.80 C -ATOM 625 CG TYR A 70 -5.914 -5.699 -11.259 1.00 14.20 C -ATOM 626 CD1 TYR A 70 -6.258 -6.564 -12.294 1.00 18.79 C -ATOM 627 CE1 TYR A 70 -7.065 -6.142 -13.355 1.00 19.00 C -ATOM 628 CZ TYR A 70 -7.509 -4.826 -13.389 1.00 21.71 C -ATOM 629 OH TYR A 70 -8.328 -4.351 -14.399 1.00 30.85 O -ATOM 630 CE2 TYR A 70 -7.159 -3.954 -12.381 1.00 22.83 C -ATOM 631 CD2 TYR A 70 -6.373 -4.396 -11.322 1.00 19.10 C -ATOM 632 C TYR A 70 -2.980 -4.906 -10.908 1.00 8.62 C -ATOM 633 O TYR A 70 -2.765 -4.629 -12.081 1.00 8.15 O -ATOM 634 N LEU A 71 -2.779 -4.023 -9.932 1.00 8.22 N -ATOM 635 CA LEU A 71 -2.412 -2.664 -10.245 1.00 8.75 C -ATOM 636 CB LEU A 71 -2.796 -1.715 -9.133 1.00 10.19 C -ATOM 637 CG LEU A 71 -4.263 -1.596 -8.751 1.00 10.00 C -ATOM 638 CD1 LEU A 71 -4.380 -0.639 -7.613 1.00 10.46 C -ATOM 639 CD2 LEU A 71 -5.085 -1.051 -9.901 1.00 13.03 C -ATOM 640 C LEU A 71 -0.920 -2.594 -10.467 1.00 9.72 C -ATOM 641 O LEU A 71 -0.466 -2.058 -11.483 1.00 10.90 O -ATOM 642 N GLY A 72 -0.166 -3.164 -9.517 1.00 10.28 N -ATOM 643 CA GLY A 72 1.262 -3.426 -9.682 1.00 10.65 C -ATOM 644 C GLY A 72 1.555 -3.981 -11.053 1.00 9.77 C -ATOM 645 O GLY A 72 2.328 -3.428 -11.762 1.00 10.46 O -ATOM 646 N GLY A 73 0.899 -5.076 -11.431 1.00 10.80 N -ATOM 647 CA GLY A 73 1.183 -5.761 -12.689 1.00 9.84 C -ATOM 648 C GLY A 73 0.863 -4.924 -13.929 1.00 9.93 C -ATOM 649 O GLY A 73 1.577 -4.950 -14.946 1.00 9.02 O -ATOM 650 N ALA A 74 -0.222 -4.156 -13.848 1.00 10.45 N -ATOM 651 CA ALA A 74 -0.574 -3.225 -14.916 1.00 10.89 C -ATOM 652 CB ALA A 74 -1.915 -2.556 -14.604 1.00 10.75 C -ATOM 653 C ALA A 74 0.553 -2.170 -15.071 1.00 8.90 C -ATOM 654 O ALA A 74 1.085 -1.969 -16.141 1.00 9.49 O -ATOM 655 N VAL A 75 0.939 -1.540 -13.966 1.00 8.02 N -ATOM 656 CA VAL A 75 1.970 -0.536 -14.026 1.00 9.54 C -ATOM 657 CB VAL A 75 2.254 0.087 -12.658 1.00 8.90 C -ATOM 658 CG1 VAL A 75 3.486 0.986 -12.719 1.00 10.78 C -ATOM 659 CG2 VAL A 75 1.049 0.891 -12.220 1.00 8.31 C -ATOM 660 C VAL A 75 3.243 -1.062 -14.684 1.00 8.80 C -ATOM 661 O VAL A 75 3.753 -0.446 -15.580 1.00 10.62 O -ATOM 662 N GLU A 76 3.757 -2.189 -14.214 1.00 9.32 N -ATOM 663 CA GLU A 76 4.967 -2.798 -14.773 1.00 11.38 C -ATOM 664 CB GLU A 76 5.337 -4.096 -14.044 1.00 13.00 C -ATOM 665 CG GLU A 76 6.632 -4.791 -14.477 1.00 11.01 C -ATOM 666 CD GLU A 76 7.185 -5.661 -13.361 1.00 12.62 C -ATOM 667 OE1 GLU A 76 6.414 -6.190 -12.510 1.00 12.49 O -ATOM 668 OE2 GLU A 76 8.416 -5.823 -13.310 1.00 16.29 O -ATOM 669 C GLU A 76 4.820 -3.080 -16.239 1.00 13.17 C -ATOM 670 O GLU A 76 5.723 -2.765 -17.019 1.00 14.71 O -ATOM 671 N LYS A 77 3.690 -3.673 -16.628 1.00 13.53 N -ATOM 672 CA LYS A 77 3.480 -4.028 -18.016 1.00 16.95 C -ATOM 673 CB LYS A 77 2.196 -4.861 -18.197 1.00 24.89 C -ATOM 674 CG LYS A 77 2.086 -5.663 -19.499 1.00 29.96 C -ATOM 675 CD LYS A 77 3.211 -6.707 -19.726 1.00 48.81 C -ATOM 676 CE LYS A 77 3.498 -7.673 -18.548 1.00 51.17 C -ATOM 677 NZ LYS A 77 4.757 -7.414 -17.744 1.00 41.66 N -ATOM 678 C LYS A 77 3.438 -2.795 -18.917 1.00 13.69 C -ATOM 679 O LYS A 77 4.031 -2.795 -19.967 1.00 11.09 O -ATOM 680 N ARG A 78 2.724 -1.744 -18.516 1.00 13.15 N -ATOM 681 CA ARG A 78 2.516 -0.640 -19.447 1.00 17.21 C -ATOM 682 CB ARG A 78 1.120 -0.024 -19.335 1.00 26.03 C -ATOM 683 CG ARG A 78 -0.022 -0.981 -18.999 1.00 42.52 C -ATOM 684 CD ARG A 78 -0.717 -1.719 -20.148 1.00 53.37 C -ATOM 685 NE ARG A 78 -1.292 -3.002 -19.655 1.00 85.31 N -ATOM 686 CZ ARG A 78 -2.353 -3.148 -18.835 1.00 75.86 C -ATOM 687 NH1 ARG A 78 -3.041 -2.097 -18.383 1.00 81.51 N -ATOM 688 NH2 ARG A 78 -2.735 -4.369 -18.449 1.00 57.06 N -ATOM 689 C ARG A 78 3.600 0.440 -19.363 1.00 12.62 C -ATOM 690 O ARG A 78 3.914 1.051 -20.371 1.00 12.21 O -ATOM 691 N LEU A 79 4.151 0.661 -18.161 1.00 10.41 N -ATOM 692 CA LEU A 79 5.099 1.744 -17.850 1.00 8.22 C -ATOM 693 CB LEU A 79 4.572 2.598 -16.671 1.00 8.17 C -ATOM 694 CG LEU A 79 3.124 3.052 -16.835 1.00 8.98 C -ATOM 695 CD1 LEU A 79 2.578 3.970 -15.733 1.00 8.36 C -ATOM 696 CD2 LEU A 79 3.016 3.756 -18.185 1.00 9.32 C -ATOM 697 C LEU A 79 6.504 1.244 -17.514 1.00 6.91 C -ATOM 698 O LEU A 79 7.455 2.023 -17.485 1.00 8.56 O -ATOM 699 N GLY A 80 6.651 -0.049 -17.238 1.00 5.95 N -ATOM 700 CA GLY A 80 7.938 -0.615 -16.910 1.00 5.85 C -ATOM 701 C GLY A 80 8.151 -0.964 -15.431 1.00 6.74 C -ATOM 702 O GLY A 80 7.560 -0.375 -14.529 1.00 6.31 O -ATOM 703 N SER A 81 9.085 -1.895 -15.228 1.00 6.52 N -ATOM 704 CA SER A 81 9.611 -2.297 -13.970 1.00 7.29 C -ATOM 705 CB SER A 81 10.738 -3.301 -14.223 1.00 6.49 C -ATOM 706 OG SER A 81 10.176 -4.528 -14.624 1.00 7.34 O -ATOM 707 C SER A 81 10.108 -1.160 -13.095 1.00 7.07 C -ATOM 708 O SER A 81 9.788 -1.112 -11.860 1.00 7.73 O -ATOM 709 N GLY A 82 10.858 -0.240 -13.705 1.00 6.35 N -ATOM 710 CA GLY A 82 11.417 0.898 -12.997 1.00 6.26 C -ATOM 711 C GLY A 82 10.374 1.778 -12.306 1.00 6.75 C -ATOM 712 O GLY A 82 10.557 2.237 -11.170 1.00 7.96 O -ATOM 713 N LYS A 83 9.281 2.038 -13.018 1.00 6.78 N -ATOM 714 CA LYS A 83 8.229 2.867 -12.550 1.00 7.45 C -ATOM 715 CB LYS A 83 7.194 3.004 -13.666 1.00 10.15 C -ATOM 716 CG LYS A 83 5.992 3.862 -13.265 1.00 13.46 C -ATOM 717 CD LYS A 83 6.359 5.296 -12.967 1.00 15.35 C -ATOM 718 CE LYS A 83 6.640 6.047 -14.264 1.00 13.83 C -ATOM 719 NZ LYS A 83 6.863 7.450 -13.874 1.00 17.70 N -ATOM 720 C LYS A 83 7.605 2.203 -11.307 1.00 7.49 C -ATOM 721 O LYS A 83 7.359 2.851 -10.304 1.00 6.49 O -ATOM 722 N LEU A 84 7.380 0.885 -11.376 1.00 7.56 N -ATOM 723 CA LEU A 84 6.797 0.152 -10.251 1.00 8.80 C -ATOM 724 CB LEU A 84 6.502 -1.304 -10.598 1.00 8.75 C -ATOM 725 CG LEU A 84 5.771 -2.102 -9.495 1.00 9.25 C -ATOM 726 CD1 LEU A 84 4.554 -1.369 -8.978 1.00 11.42 C -ATOM 727 CD2 LEU A 84 5.369 -3.489 -9.997 1.00 8.81 C -ATOM 728 C LEU A 84 7.736 0.198 -9.064 1.00 9.07 C -ATOM 729 O LEU A 84 7.290 0.405 -7.954 1.00 7.30 O -ATOM 730 N ILE A 85 9.042 0.006 -9.325 1.00 8.25 N -ATOM 731 CA ILE A 85 10.054 0.140 -8.273 1.00 8.61 C -ATOM 732 CB ILE A 85 11.464 -0.112 -8.823 1.00 9.61 C -ATOM 733 CG1 ILE A 85 11.627 -1.614 -9.105 1.00 10.88 C -ATOM 734 CD1 ILE A 85 12.808 -1.937 -10.007 1.00 13.48 C -ATOM 735 CG2 ILE A 85 12.561 0.357 -7.842 1.00 9.42 C -ATOM 736 C ILE A 85 9.998 1.466 -7.502 1.00 7.41 C -ATOM 737 O ILE A 85 9.973 1.459 -6.266 1.00 8.94 O -ATOM 738 N VAL A 86 9.964 2.591 -8.222 1.00 6.37 N -ATOM 739 CA VAL A 86 10.012 3.895 -7.573 1.00 6.19 C -ATOM 740 CB VAL A 86 10.279 5.024 -8.614 1.00 5.97 C -ATOM 742 CG1 VAL A 86 10.621 6.347 -7.923 1.00 5.42 C -ATOM 744 CG2 VAL A 86 11.349 4.601 -9.611 1.00 5.92 C -ATOM 746 C VAL A 86 8.723 4.219 -6.840 1.00 7.25 C -ATOM 747 O VAL A 86 8.759 4.700 -5.724 1.00 7.60 O -ATOM 748 N ILE A 87 7.571 3.947 -7.467 1.00 8.21 N -ATOM 749 CA ILE A 87 6.305 4.039 -6.738 1.00 9.69 C -ATOM 750 CB ILE A 87 5.156 3.535 -7.575 1.00 10.87 C -ATOM 751 CG1 ILE A 87 4.921 4.490 -8.716 1.00 10.95 C -ATOM 752 CD1 ILE A 87 3.874 3.971 -9.695 1.00 11.24 C -ATOM 753 CG2 ILE A 87 3.889 3.400 -6.722 1.00 14.74 C -ATOM 754 C ILE A 87 6.350 3.276 -5.410 1.00 8.23 C -ATOM 755 O ILE A 87 6.038 3.781 -4.331 1.00 8.72 O -ATOM 756 N THR A 88 6.825 2.049 -5.496 1.00 10.12 N -ATOM 757 CA THR A 88 6.924 1.177 -4.334 1.00 9.66 C -ATOM 758 CB THR A 88 7.359 -0.234 -4.741 1.00 8.86 C -ATOM 759 OG1 THR A 88 6.423 -0.773 -5.664 1.00 8.21 O -ATOM 760 CG2 THR A 88 7.453 -1.165 -3.502 1.00 9.41 C -ATOM 761 C THR A 88 7.889 1.738 -3.289 1.00 10.56 C -ATOM 762 O THR A 88 7.537 1.750 -2.136 1.00 9.67 O -ATOM 763 N LEU A 89 9.105 2.168 -3.696 1.00 9.79 N -ATOM 764 CA LEU A 89 10.078 2.707 -2.725 1.00 9.43 C -ATOM 765 CB LEU A 89 11.434 3.045 -3.349 1.00 10.49 C -ATOM 766 CG LEU A 89 12.203 1.836 -3.893 1.00 13.29 C -ATOM 767 CD1 LEU A 89 13.497 2.302 -4.530 1.00 12.80 C -ATOM 768 CD2 LEU A 89 12.480 0.770 -2.826 1.00 15.37 C -ATOM 769 C LEU A 89 9.574 3.936 -2.010 1.00 10.23 C -ATOM 770 O LEU A 89 9.789 4.097 -0.800 1.00 16.46 O -ATOM 771 N ILE A 90 8.960 4.844 -2.775 1.00 9.43 N -ATOM 772 CA ILE A 90 8.590 6.148 -2.292 1.00 10.41 C -ATOM 773 CB ILE A 90 8.278 7.130 -3.471 1.00 10.97 C -ATOM 774 CG1 ILE A 90 9.546 7.486 -4.260 1.00 10.17 C -ATOM 775 CD1 ILE A 90 9.300 8.435 -5.450 1.00 11.35 C -ATOM 776 CG2 ILE A 90 7.717 8.430 -2.903 1.00 13.93 C -ATOM 777 C ILE A 90 7.369 5.955 -1.394 1.00 10.30 C -ATOM 778 O ILE A 90 7.280 6.520 -0.327 1.00 11.27 O -ATOM 779 N SER A 91 6.406 5.180 -1.868 1.00 9.52 N -ATOM 780 CA SER A 91 5.211 4.929 -1.061 1.00 14.52 C -ATOM 781 CB SER A 91 4.114 4.206 -1.842 1.00 13.25 C -ATOM 782 OG SER A 91 4.494 2.924 -2.211 1.00 12.23 O -ATOM 783 C SER A 91 5.550 4.199 0.274 1.00 10.37 C -ATOM 784 O SER A 91 5.042 4.587 1.324 1.00 9.69 O -ATOM 785 N ALA A 92 6.432 3.199 0.213 1.00 9.09 N -ATOM 786 CA ALA A 92 6.842 2.470 1.418 1.00 9.92 C -ATOM 787 CB ALA A 92 7.737 1.283 1.110 1.00 9.81 C -ATOM 788 C ALA A 92 7.505 3.368 2.416 1.00 9.21 C -ATOM 789 O ALA A 92 7.246 3.296 3.592 1.00 11.95 O -ATOM 790 N LEU A 93 8.402 4.229 1.942 1.00 12.58 N -ATOM 791 CA LEU A 93 9.174 5.081 2.825 1.00 11.15 C -ATOM 792 CB LEU A 93 10.256 5.737 2.003 1.00 13.97 C -ATOM 793 CG LEU A 93 11.259 6.533 2.734 1.00 15.28 C -ATOM 794 CD1 LEU A 93 12.011 5.709 3.770 1.00 14.89 C -ATOM 795 CD2 LEU A 93 12.186 7.120 1.660 1.00 18.93 C -ATOM 796 C LEU A 93 8.301 6.154 3.451 1.00 9.22 C -ATOM 797 O LEU A 93 8.381 6.404 4.668 1.00 9.53 O -ATOM 798 N LEU A 94 7.499 6.820 2.610 1.00 8.54 N -ATOM 799 CA LEU A 94 6.712 7.955 3.072 1.00 10.77 C -ATOM 800 CB LEU A 94 6.178 8.806 1.907 1.00 9.48 C -ATOM 802 CG LEU A 94 7.138 9.894 1.425 1.00 8.72 C -ATOM 804 CD1 LEU A 94 8.350 9.315 0.748 1.00 8.52 C -ATOM 806 CD2 LEU A 94 6.454 10.827 0.456 1.00 9.47 C -ATOM 808 C LEU A 94 5.575 7.465 3.977 1.00 10.87 C -ATOM 809 O LEU A 94 5.295 8.078 5.031 1.00 14.49 O -ATOM 810 N SER A 95 4.958 6.336 3.604 1.00 9.20 N -ATOM 811 CA SER A 95 3.847 5.828 4.384 1.00 9.77 C -ATOM 812 CB SER A 95 3.114 4.723 3.625 1.00 11.24 C -ATOM 813 OG SER A 95 3.915 3.567 3.488 1.00 10.77 O -ATOM 814 C SER A 95 4.325 5.392 5.741 1.00 10.28 C -ATOM 815 O SER A 95 3.702 5.678 6.761 1.00 11.54 O -ATOM 816 N GLY A 96 5.506 4.771 5.784 1.00 9.63 N -ATOM 817 CA GLY A 96 6.098 4.361 7.055 1.00 9.09 C -ATOM 818 C GLY A 96 6.449 5.549 7.930 1.00 10.87 C -ATOM 819 O GLY A 96 6.268 5.521 9.175 1.00 9.44 O -ATOM 820 N TYR A 97 7.019 6.592 7.308 1.00 10.40 N -ATOM 821 CA TYR A 97 7.433 7.742 8.066 1.00 10.22 C -ATOM 822 CB TYR A 97 8.172 8.772 7.189 1.00 9.26 C -ATOM 823 CG TYR A 97 8.059 10.160 7.678 1.00 11.80 C -ATOM 824 CD1 TYR A 97 8.764 10.612 8.771 1.00 13.53 C -ATOM 825 CE1 TYR A 97 8.594 11.894 9.244 1.00 15.13 C -ATOM 826 CZ TYR A 97 7.729 12.737 8.617 1.00 17.92 C -ATOM 827 OH TYR A 97 7.533 14.075 8.988 1.00 35.59 O -ATOM 828 CE2 TYR A 97 7.035 12.315 7.529 1.00 20.60 C -ATOM 829 CD2 TYR A 97 7.182 11.029 7.076 1.00 15.19 C -ATOM 830 C TYR A 97 6.212 8.367 8.744 1.00 10.61 C -ATOM 831 O TYR A 97 6.284 8.746 9.913 1.00 9.19 O -ATOM 832 N VAL A 98 5.121 8.536 7.979 1.00 10.24 N -ATOM 833 CA VAL A 98 3.936 9.203 8.488 1.00 11.42 C -ATOM 834 CB VAL A 98 2.964 9.510 7.343 1.00 13.55 C -ATOM 835 CG1 VAL A 98 1.635 10.010 7.908 1.00 13.24 C -ATOM 836 CG2 VAL A 98 3.572 10.570 6.405 1.00 13.47 C -ATOM 837 C VAL A 98 3.231 8.366 9.557 1.00 9.87 C -ATOM 838 O VAL A 98 2.783 8.892 10.567 1.00 8.32 O -ATOM 839 N GLN A 99 3.117 7.061 9.297 1.00 9.03 N -ATOM 840 CA GLN A 99 2.573 6.134 10.258 1.00 10.14 C -ATOM 841 CB GLN A 99 2.589 4.716 9.750 1.00 9.94 C -ATOM 842 CG GLN A 99 1.854 3.731 10.697 1.00 12.42 C -ATOM 843 CD GLN A 99 0.416 4.118 11.000 1.00 12.41 C -ATOM 844 OE1 GLN A 99 -0.284 4.651 10.134 1.00 10.66 O -ATOM 845 NE2 GLN A 99 -0.012 3.926 12.263 1.00 13.91 N -ATOM 846 C GLN A 99 3.285 6.192 11.577 1.00 10.64 C -ATOM 847 O GLN A 99 2.626 6.250 12.649 1.00 13.44 O -ATOM 848 N GLN A 100 4.621 6.158 11.545 1.00 11.43 N -ATOM 849 CA GLN A 100 5.361 6.130 12.809 1.00 10.79 C -ATOM 850 CB GLN A 100 6.800 5.663 12.690 1.00 15.29 C -ATOM 851 CG GLN A 100 7.757 6.510 11.858 1.00 15.18 C -ATOM 852 CD GLN A 100 8.277 7.750 12.549 1.00 20.02 C -ATOM 853 OE1 GLN A 100 8.505 7.726 13.780 1.00 17.98 O -ATOM 854 NE2 GLN A 100 8.376 8.910 11.764 1.00 13.46 N -ATOM 855 C GLN A 100 5.263 7.450 13.534 1.00 11.18 C -ATOM 856 O GLN A 100 5.193 7.467 14.752 1.00 10.28 O -ATOM 857 N LYS A 101 5.195 8.559 12.787 1.00 12.05 N -ATOM 858 CA LYS A 101 5.036 9.880 13.404 1.00 15.91 C -ATOM 859 CB LYS A 101 4.986 10.981 12.345 1.00 19.62 C -ATOM 860 CG LYS A 101 4.994 12.393 12.892 1.00 25.54 C -ATOM 861 CD LYS A 101 6.126 12.650 13.882 1.00 36.13 C -ATOM 862 CE LYS A 101 7.505 12.199 13.400 1.00 47.35 C -ATOM 863 NZ LYS A 101 8.505 12.410 14.493 1.00 53.61 N -ATOM 864 C LYS A 101 3.759 9.983 14.261 1.00 14.76 C -ATOM 865 O LYS A 101 3.799 10.566 15.295 1.00 12.05 O -ATOM 866 N PHE A 102 2.637 9.447 13.775 1.00 17.64 N -ATOM 867 CA PHE A 102 1.344 9.574 14.456 1.00 22.08 C -ATOM 868 CB PHE A 102 0.153 9.362 13.521 1.00 32.43 C -ATOM 869 CG PHE A 102 -0.045 10.430 12.471 1.00 49.16 C -ATOM 870 CD1 PHE A 102 0.617 11.656 12.514 1.00 57.17 C -ATOM 871 CE1 PHE A 102 0.386 12.619 11.531 1.00 64.20 C -ATOM 872 CZ PHE A 102 -0.529 12.374 10.510 1.00 70.11 C -ATOM 873 CE2 PHE A 102 -1.213 11.167 10.462 1.00 66.22 C -ATOM 874 CD2 PHE A 102 -0.974 10.205 11.437 1.00 70.03 C -ATOM 875 C PHE A 102 1.180 8.542 15.549 1.00 15.16 C -ATOM 876 O PHE A 102 0.638 8.855 16.566 1.00 18.94 O -ATOM 877 N SER A 103 1.658 7.318 15.311 1.00 13.90 N -ATOM 878 CA SER A 103 1.318 6.154 16.117 1.00 11.20 C -ATOM 879 CB SER A 103 0.340 5.342 15.277 1.00 11.98 C -ATOM 880 OG SER A 103 -0.765 6.169 15.049 1.00 11.27 O -ATOM 881 C SER A 103 2.446 5.210 16.531 1.00 11.46 C -ATOM 882 O SER A 103 2.189 4.162 17.102 1.00 9.51 O -ATOM 883 N GLY A 104 3.690 5.532 16.159 1.00 10.24 N -ATOM 884 CA GLY A 104 4.834 4.727 16.537 1.00 9.26 C -ATOM 885 C GLY A 104 5.185 3.608 15.559 1.00 9.97 C -ATOM 886 O GLY A 104 4.583 3.433 14.502 1.00 7.26 O -ATOM 887 N PRO A 105 6.247 2.845 15.880 1.00 7.88 N -ATOM 888 CA PRO A 105 6.894 1.982 14.897 1.00 8.48 C -ATOM 889 CB PRO A 105 8.279 1.860 15.514 1.00 8.22 C -ATOM 890 CG PRO A 105 7.992 1.872 17.006 1.00 6.83 C -ATOM 891 CD PRO A 105 6.947 2.916 17.164 1.00 6.35 C -ATOM 892 C PRO A 105 6.271 0.556 14.641 1.00 10.05 C -ATOM 893 O PRO A 105 6.782 -0.215 13.823 1.00 10.01 O -ATOM 894 N TRP A 106 5.213 0.216 15.376 1.00 11.69 N -ATOM 895 CA TRP A 106 4.684 -1.155 15.418 1.00 11.54 C -ATOM 896 CB TRP A 106 4.198 -1.493 16.827 1.00 12.46 C -ATOM 897 CG TRP A 106 5.284 -1.353 17.783 1.00 12.18 C -ATOM 898 CD1 TRP A 106 5.433 -0.364 18.695 1.00 10.82 C -ATOM 899 NE1 TRP A 106 6.584 -0.564 19.425 1.00 11.60 N -ATOM 900 CE2 TRP A 106 7.248 -1.652 18.918 1.00 11.11 C -ATOM 901 CD2 TRP A 106 6.444 -2.181 17.881 1.00 13.14 C -ATOM 902 CE3 TRP A 106 6.885 -3.313 17.205 1.00 17.26 C -ATOM 903 CZ3 TRP A 106 8.127 -3.874 17.578 1.00 14.76 C -ATOM 904 CH2 TRP A 106 8.882 -3.325 18.625 1.00 11.76 C -ATOM 905 CZ2 TRP A 106 8.463 -2.215 19.288 1.00 10.23 C -ATOM 906 C TRP A 106 3.569 -1.285 14.440 1.00 10.94 C -ATOM 907 O TRP A 106 2.377 -1.390 14.821 1.00 10.11 O -ATOM 908 N PHE A 107 3.954 -1.246 13.161 1.00 11.04 N -ATOM 909 CA PHE A 107 3.037 -1.364 12.053 1.00 10.70 C -ATOM 910 CB PHE A 107 2.687 0.034 11.539 1.00 13.62 C -ATOM 911 CG PHE A 107 3.829 0.756 10.910 1.00 12.43 C -ATOM 912 CD1 PHE A 107 4.696 1.478 11.682 1.00 14.88 C -ATOM 913 CE1 PHE A 107 5.756 2.154 11.124 1.00 15.39 C -ATOM 914 CZ PHE A 107 5.969 2.075 9.775 1.00 15.58 C -ATOM 915 CE2 PHE A 107 5.100 1.362 8.973 1.00 12.75 C -ATOM 916 CD2 PHE A 107 4.037 0.689 9.550 1.00 14.16 C -ATOM 917 C PHE A 107 3.677 -2.201 10.974 1.00 12.33 C -ATOM 918 O PHE A 107 4.894 -2.443 10.980 1.00 12.46 O -ATOM 919 N GLY A 108 2.854 -2.667 10.035 1.00 9.93 N -ATOM 920 CA GLY A 108 3.360 -3.393 8.904 1.00 8.76 C -ATOM 921 C GLY A 108 2.289 -3.574 7.875 1.00 9.73 C -ATOM 922 O GLY A 108 1.119 -3.369 8.138 1.00 9.84 O -ATOM 923 N GLY A 109 2.701 -3.993 6.686 1.00 10.32 N -ATOM 924 CA GLY A 109 1.759 -4.292 5.640 1.00 10.57 C -ATOM 925 C GLY A 109 1.992 -3.517 4.361 1.00 11.70 C -ATOM 926 O GLY A 109 2.476 -2.377 4.377 1.00 11.87 O -ATOM 927 N LEU A 110 1.579 -4.134 3.256 1.00 11.04 N -ATOM 928 CA LEU A 110 1.649 -3.572 1.925 1.00 14.57 C -ATOM 929 CB LEU A 110 1.690 -4.738 0.905 1.00 11.87 C -ATOM 930 CG LEU A 110 2.211 -4.363 -0.479 1.00 12.86 C -ATOM 931 CD1 LEU A 110 3.683 -3.912 -0.366 1.00 12.16 C -ATOM 932 CD2 LEU A 110 2.061 -5.597 -1.373 1.00 12.82 C -ATOM 933 C LEU A 110 0.579 -2.500 1.527 1.00 11.01 C -ATOM 934 O LEU A 110 0.644 -1.899 0.480 1.00 14.43 O -ATOM 935 N SER A 111 -0.387 -2.234 2.387 1.00 13.29 N -ATOM 936 CA SER A 111 -1.472 -1.338 2.044 1.00 10.12 C -ATOM 937 CB SER A 111 -2.581 -1.382 3.109 1.00 10.55 C -ATOM 938 OG SER A 111 -2.151 -0.892 4.390 1.00 11.02 O -ATOM 939 C SER A 111 -1.076 0.110 1.781 1.00 12.43 C -ATOM 940 O SER A 111 -1.814 0.816 1.081 1.00 13.91 O -ATOM 941 N GLY A 112 0.062 0.562 2.330 1.00 12.21 N -ATOM 942 CA GLY A 112 0.560 1.900 2.027 1.00 12.07 C -ATOM 943 C GLY A 112 0.838 1.959 0.542 1.00 11.14 C -ATOM 944 O GLY A 112 0.421 2.898 -0.188 1.00 9.44 O -ATOM 945 N VAL A 113 1.541 0.921 0.083 1.00 10.51 N -ATOM 946 CA VAL A 113 1.905 0.734 -1.322 1.00 10.87 C -ATOM 947 CB VAL A 113 2.893 -0.436 -1.510 1.00 8.83 C -ATOM 948 CG1 VAL A 113 3.149 -0.648 -2.970 1.00 13.82 C -ATOM 949 CG2 VAL A 113 4.210 -0.176 -0.812 1.00 9.67 C -ATOM 950 C VAL A 113 0.661 0.511 -2.174 1.00 9.75 C -ATOM 951 O VAL A 113 0.526 1.041 -3.214 1.00 10.43 O -ATOM 952 N VAL A 114 -0.261 -0.316 -1.695 1.00 10.82 N -ATOM 953 CA VAL A 114 -1.477 -0.552 -2.419 1.00 10.51 C -ATOM 954 CB VAL A 114 -2.322 -1.630 -1.749 1.00 9.83 C -ATOM 955 CG1 VAL A 114 -3.700 -1.672 -2.345 1.00 8.18 C -ATOM 956 CG2 VAL A 114 -1.642 -2.962 -1.934 1.00 11.97 C -ATOM 957 C VAL A 114 -2.272 0.729 -2.615 1.00 10.52 C -ATOM 958 O VAL A 114 -2.798 0.945 -3.730 1.00 8.61 O -ATOM 959 N TYR A 115 -2.367 1.559 -1.558 1.00 11.27 N -ATOM 960 CA TYR A 115 -3.098 2.837 -1.643 1.00 12.70 C -ATOM 961 CB TYR A 115 -3.242 3.587 -0.295 1.00 13.31 C -ATOM 962 CG TYR A 115 -4.426 3.139 0.594 1.00 16.02 C -ATOM 963 CD1 TYR A 115 -4.692 1.801 0.806 1.00 14.22 C -ATOM 964 CE1 TYR A 115 -5.718 1.388 1.600 1.00 13.42 C -ATOM 965 CZ TYR A 115 -6.505 2.311 2.254 1.00 17.17 C -ATOM 966 OH TYR A 115 -7.528 1.845 3.075 1.00 14.11 O -ATOM 967 CE2 TYR A 115 -6.269 3.667 2.078 1.00 15.96 C -ATOM 968 CD2 TYR A 115 -5.237 4.072 1.251 1.00 18.31 C -ATOM 969 C TYR A 115 -2.453 3.761 -2.697 1.00 13.25 C -ATOM 970 O TYR A 115 -3.165 4.417 -3.438 1.00 12.92 O -ATOM 971 N ALA A 116 -1.111 3.810 -2.734 1.00 11.18 N -ATOM 972 CA ALA A 116 -0.368 4.586 -3.744 1.00 10.79 C -ATOM 973 CB ALA A 116 1.121 4.451 -3.480 1.00 11.53 C -ATOM 974 C ALA A 116 -0.721 4.102 -5.168 1.00 12.39 C -ATOM 975 O ALA A 116 -1.009 4.899 -6.057 1.00 9.32 O -ATOM 976 N LEU A 117 -0.795 2.779 -5.351 1.00 11.10 N -ATOM 977 CA LEU A 117 -1.112 2.230 -6.673 1.00 12.43 C -ATOM 978 CB LEU A 117 -0.932 0.700 -6.685 1.00 9.99 C -ATOM 979 CG LEU A 117 0.516 0.282 -6.612 1.00 12.19 C -ATOM 980 CD1 LEU A 117 0.577 -1.231 -6.470 1.00 14.38 C -ATOM 981 CD2 LEU A 117 1.258 0.743 -7.862 1.00 10.14 C -ATOM 982 C LEU A 117 -2.516 2.597 -7.107 1.00 10.88 C -ATOM 983 O LEU A 117 -2.762 2.976 -8.280 1.00 11.53 O -ATOM 984 N MET A 118 -3.449 2.474 -6.160 1.00 10.42 N -ATOM 985 CA MET A 118 -4.820 2.841 -6.418 1.00 10.48 C -ATOM 986 CB MET A 118 -5.656 2.626 -5.186 1.00 13.13 C -ATOM 987 CG MET A 118 -6.021 1.164 -4.955 1.00 14.60 C -ATOM 988 SD MET A 118 -6.810 1.082 -3.319 1.00 14.44 S -ATOM 989 CE MET A 118 -7.400 -0.602 -3.347 1.00 20.16 C -ATOM 990 C MET A 118 -4.951 4.264 -6.881 1.00 9.46 C -ATOM 991 O MET A 118 -5.596 4.530 -7.917 1.00 8.61 O -ATOM 992 N GLY A 119 -4.352 5.179 -6.117 1.00 7.77 N -ATOM 993 CA GLY A 119 -4.365 6.586 -6.476 1.00 11.08 C -ATOM 994 C GLY A 119 -3.615 6.890 -7.798 1.00 11.34 C -ATOM 995 O GLY A 119 -4.042 7.720 -8.598 1.00 8.29 O -ATOM 996 N TYR A 120 -2.474 6.216 -7.991 1.00 11.77 N -ATOM 997 CA TYR A 120 -1.667 6.360 -9.172 1.00 10.79 C -ATOM 998 CB TYR A 120 -0.366 5.541 -9.092 1.00 9.35 C -ATOM 999 CG TYR A 120 0.527 5.899 -10.253 1.00 8.93 C -ATOM 1000 CD1 TYR A 120 1.366 7.021 -10.228 1.00 8.49 C -ATOM 1001 CE1 TYR A 120 2.161 7.342 -11.326 1.00 7.07 C -ATOM 1002 CZ TYR A 120 2.091 6.546 -12.464 1.00 7.22 C -ATOM 1003 OH TYR A 120 2.786 6.756 -13.594 1.00 5.80 O -ATOM 1004 CE2 TYR A 120 1.257 5.448 -12.495 1.00 8.41 C -ATOM 1005 CD2 TYR A 120 0.494 5.145 -11.404 1.00 8.76 C -ATOM 1006 C TYR A 120 -2.455 5.990 -10.442 1.00 11.63 C -ATOM 1007 O TYR A 120 -2.555 6.813 -11.414 1.00 7.78 O -ATOM 1008 N VAL A 121 -2.962 4.745 -10.455 1.00 12.00 N -ATOM 1009 CA VAL A 121 -3.591 4.196 -11.660 1.00 9.62 C -ATOM 1010 CB VAL A 121 -3.858 2.680 -11.581 1.00 9.65 C -ATOM 1011 CG1 VAL A 121 -4.689 2.196 -12.784 1.00 9.29 C -ATOM 1012 CG2 VAL A 121 -2.548 1.915 -11.487 1.00 10.90 C -ATOM 1013 C VAL A 121 -4.857 4.987 -11.947 1.00 10.36 C -ATOM 1014 O VAL A 121 -5.111 5.409 -13.091 1.00 9.00 O -ATOM 1015 N TRP A 122 -5.635 5.251 -10.896 1.00 10.35 N -ATOM 1016 CA TRP A 122 -6.866 5.995 -11.078 1.00 10.59 C -ATOM 1017 CB TRP A 122 -7.604 6.183 -9.745 1.00 11.33 C -ATOM 1018 CG TRP A 122 -8.849 6.948 -9.971 1.00 11.45 C -ATOM 1019 CD1 TRP A 122 -9.934 6.530 -10.650 1.00 12.33 C -ATOM 1020 NE1 TRP A 122 -10.868 7.524 -10.695 1.00 12.12 N -ATOM 1021 CE2 TRP A 122 -10.378 8.620 -10.044 1.00 12.27 C -ATOM 1022 CD2 TRP A 122 -9.099 8.294 -9.595 1.00 13.87 C -ATOM 1023 CE3 TRP A 122 -8.367 9.253 -8.898 1.00 17.98 C -ATOM 1024 CZ3 TRP A 122 -8.944 10.501 -8.684 1.00 18.17 C -ATOM 1025 CH2 TRP A 122 -10.221 10.805 -9.164 1.00 14.65 C -ATOM 1026 CZ2 TRP A 122 -10.953 9.878 -9.836 1.00 14.95 C -ATOM 1027 C TRP A 122 -6.604 7.400 -11.700 1.00 10.52 C -ATOM 1028 O TRP A 122 -7.206 7.769 -12.707 1.00 6.62 O -ATOM 1029 N LEU A 123 -5.725 8.170 -11.046 1.00 9.99 N -ATOM 1030 CA LEU A 123 -5.508 9.552 -11.408 1.00 12.53 C -ATOM 1031 CB LEU A 123 -4.713 10.308 -10.329 1.00 12.84 C -ATOM 1032 CG LEU A 123 -4.566 11.806 -10.716 1.00 16.41 C -ATOM 1033 CD1 LEU A 123 -5.921 12.483 -10.919 1.00 17.09 C -ATOM 1034 CD2 LEU A 123 -3.726 12.569 -9.701 1.00 18.37 C -ATOM 1035 C LEU A 123 -4.811 9.636 -12.776 1.00 12.42 C -ATOM 1036 O LEU A 123 -5.165 10.461 -13.600 1.00 9.14 O -ATOM 1037 N ARG A 124 -3.839 8.745 -13.008 1.00 12.68 N -ATOM 1038 CA ARG A 124 -3.116 8.728 -14.279 1.00 13.93 C -ATOM 1039 CB ARG A 124 -2.002 7.695 -14.218 1.00 14.88 C -ATOM 1040 CG ARG A 124 -1.042 7.669 -15.379 1.00 18.68 C -ATOM 1041 CD ARG A 124 0.020 8.763 -15.333 1.00 18.98 C -ATOM 1042 NE ARG A 124 0.741 8.854 -16.609 1.00 18.18 N -ATOM 1043 CZ ARG A 124 1.825 8.151 -16.951 1.00 17.39 C -ATOM 1044 NH1 ARG A 124 2.394 7.277 -16.142 1.00 15.90 N -ATOM 1045 NH2 ARG A 124 2.369 8.348 -18.127 1.00 19.04 N -ATOM 1046 C ARG A 124 -4.111 8.468 -15.410 1.00 11.93 C -ATOM 1047 O ARG A 124 -4.075 9.130 -16.427 1.00 11.11 O -ATOM 1048 N GLY A 125 -5.008 7.501 -15.192 1.00 11.83 N -ATOM 1049 CA GLY A 125 -6.131 7.235 -16.067 1.00 13.33 C -ATOM 1050 C GLY A 125 -6.959 8.472 -16.344 1.00 12.39 C -ATOM 1051 O GLY A 125 -7.183 8.820 -17.487 1.00 14.55 O -ATOM 1052 N GLU A 126 -7.388 9.160 -15.288 1.00 15.51 N -ATOM 1053 CA GLU A 126 -8.216 10.349 -15.448 1.00 19.50 C -ATOM 1054 CB GLU A 126 -8.699 10.870 -14.083 1.00 21.28 C -ATOM 1055 CG GLU A 126 -9.658 9.926 -13.369 1.00 25.78 C -ATOM 1056 CD GLU A 126 -10.897 9.557 -14.193 1.00 27.78 C -ATOM 1057 OE1 GLU A 126 -11.879 10.316 -14.164 1.00 26.10 O -ATOM 1058 OE2 GLU A 126 -10.901 8.487 -14.858 1.00 34.29 O -ATOM 1059 C GLU A 126 -7.527 11.472 -16.231 1.00 22.38 C -ATOM 1060 O GLU A 126 -8.157 12.119 -17.061 1.00 19.45 O -ATOM 1061 N ARG A 127 -6.236 11.707 -15.959 1.00 24.01 N -ATOM 1062 CA ARG A 127 -5.531 12.884 -16.481 1.00 25.28 C -ATOM 1063 CB ARG A 127 -4.521 13.395 -15.453 1.00 25.96 C -ATOM 1064 CG ARG A 127 -5.147 14.027 -14.217 1.00 30.58 C -ATOM 1065 CD ARG A 127 -4.164 14.931 -13.473 1.00 33.46 C -ATOM 1066 NE ARG A 127 -3.875 16.151 -14.228 1.00 30.34 N -ATOM 1067 CZ ARG A 127 -2.666 16.664 -14.467 1.00 37.18 C -ATOM 1068 NH1 ARG A 127 -1.565 16.123 -13.970 1.00 48.05 N -ATOM 1069 NH2 ARG A 127 -2.556 17.760 -15.198 1.00 35.07 N -ATOM 1070 C ARG A 127 -4.816 12.637 -17.806 1.00 25.09 C -ATOM 1071 O ARG A 127 -4.531 13.557 -18.534 1.00 38.00 O -ATOM 1072 N ASP A 128 -4.529 11.374 -18.105 1.00 30.78 N -ATOM 1073 CA ASP A 128 -3.569 11.010 -19.129 1.00 27.85 C -ATOM 1074 CB ASP A 128 -2.190 10.913 -18.463 1.00 37.74 C -ATOM 1075 CG ASP A 128 -1.048 10.731 -19.441 1.00 32.34 C -ATOM 1076 OD1 ASP A 128 -1.231 10.931 -20.663 1.00 34.10 O -ATOM 1077 OD2 ASP A 128 0.053 10.389 -18.946 1.00 23.64 O -ATOM 1078 C ASP A 128 -4.046 9.667 -19.670 1.00 29.31 C -ATOM 1079 O ASP A 128 -3.359 8.654 -19.549 1.00 21.22 O -ATOM 1080 N PRO A 129 -5.276 9.635 -20.231 1.00 31.44 N -ATOM 1081 CA PRO A 129 -5.849 8.435 -20.844 1.00 33.06 C -ATOM 1082 CB PRO A 129 -6.853 9.031 -21.850 1.00 39.26 C -ATOM 1083 CG PRO A 129 -7.231 10.375 -21.296 1.00 36.32 C -ATOM 1084 CD PRO A 129 -6.212 10.775 -20.265 1.00 33.88 C -ATOM 1085 C PRO A 129 -4.918 7.453 -21.579 1.00 26.37 C -ATOM 1086 O PRO A 129 -4.894 6.283 -21.242 1.00 36.71 O -ATOM 1087 N GLN A 130 -4.195 7.917 -22.595 1.00 29.64 N -ATOM 1088 CA GLN A 130 -3.537 6.989 -23.510 1.00 39.65 C -ATOM 1089 CB GLN A 130 -3.791 7.362 -24.986 1.00 44.02 C -ATOM 1090 CG GLN A 130 -5.223 7.788 -25.352 1.00 46.53 C -ATOM 1091 CD GLN A 130 -6.349 6.861 -24.874 1.00 48.57 C -ATOM 1092 OE1 GLN A 130 -6.157 5.924 -24.090 1.00 39.00 O -ATOM 1093 NE2 GLN A 130 -7.552 7.147 -25.352 1.00 49.29 N -ATOM 1094 C GLN A 130 -2.043 6.770 -23.231 1.00 40.56 C -ATOM 1095 O GLN A 130 -1.253 6.556 -24.148 1.00 43.17 O -ATOM 1096 N SER A 131 -1.675 6.804 -21.948 1.00 36.80 N -ATOM 1097 CA SER A 131 -0.517 6.066 -21.451 1.00 34.27 C -ATOM 1098 CB SER A 131 -0.000 6.652 -20.136 1.00 42.18 C -ATOM 1099 OG SER A 131 -1.052 7.160 -19.329 1.00 46.33 O -ATOM 1100 C SER A 131 -0.934 4.597 -21.277 1.00 33.35 C -ATOM 1101 O SER A 131 -0.089 3.739 -20.981 1.00 24.86 O -ATOM 1102 N GLY A 132 -2.241 4.333 -21.473 1.00 25.71 N -ATOM 1103 CA GLY A 132 -2.815 3.006 -21.507 1.00 23.70 C -ATOM 1104 C GLY A 132 -3.005 2.423 -20.115 1.00 30.35 C -ATOM 1105 O GLY A 132 -3.108 1.205 -19.954 1.00 28.25 O -ATOM 1106 N ILE A 133 -3.040 3.292 -19.100 1.00 25.82 N -ATOM 1107 CA ILE A 133 -3.266 2.864 -17.735 1.00 31.87 C -ATOM 1108 CB ILE A 133 -1.980 3.048 -16.863 1.00 36.08 C -ATOM 1109 CG1 ILE A 133 -1.907 1.964 -15.792 1.00 45.14 C -ATOM 1110 CD1 ILE A 133 -1.216 2.385 -14.503 1.00 52.13 C -ATOM 1111 CG2 ILE A 133 -1.877 4.453 -16.266 1.00 34.59 C -ATOM 1112 C ILE A 133 -4.500 3.619 -17.200 1.00 32.43 C -ATOM 1113 O ILE A 133 -4.602 4.848 -17.321 1.00 27.54 O -ATOM 1114 N TYR A 134 -5.457 2.867 -16.644 1.00 29.47 N -ATOM 1115 CA TYR A 134 -6.638 3.452 -15.992 1.00 28.04 C -ATOM 1116 CB TYR A 134 -7.659 3.931 -17.035 1.00 25.02 C -ATOM 1117 CG TYR A 134 -8.326 2.787 -17.748 1.00 32.76 C -ATOM 1118 CD1 TYR A 134 -7.650 2.076 -18.751 1.00 39.16 C -ATOM 1119 CE1 TYR A 134 -8.254 1.013 -19.406 1.00 39.45 C -ATOM 1120 CZ TYR A 134 -9.546 0.645 -19.055 1.00 37.28 C -ATOM 1121 OH TYR A 134 -10.143 -0.401 -19.707 1.00 41.33 O -ATOM 1122 CE2 TYR A 134 -10.238 1.332 -18.069 1.00 34.47 C -ATOM 1123 CD2 TYR A 134 -9.632 2.395 -17.423 1.00 36.92 C -ATOM 1124 C TYR A 134 -7.276 2.441 -15.040 1.00 22.78 C -ATOM 1125 O TYR A 134 -6.990 1.253 -15.087 1.00 15.53 O -ATOM 1126 N LEU A 135 -8.139 2.938 -14.155 1.00 20.92 N -ATOM 1127 CA LEU A 135 -8.880 2.094 -13.229 1.00 20.28 C -ATOM 1128 CB LEU A 135 -8.718 2.612 -11.793 1.00 17.40 C -ATOM 1129 CG LEU A 135 -9.164 1.642 -10.707 1.00 19.59 C -ATOM 1130 CD1 LEU A 135 -8.375 0.340 -10.732 1.00 19.86 C -ATOM 1131 CD2 LEU A 135 -9.047 2.308 -9.351 1.00 18.34 C -ATOM 1132 C LEU A 135 -10.336 2.118 -13.700 1.00 19.49 C -ATOM 1133 O LEU A 135 -11.019 3.138 -13.583 1.00 21.86 O -ATOM 1134 N GLN A 136 -10.793 0.994 -14.264 1.00 18.05 N -ATOM 1135 CA GLN A 136 -12.173 0.836 -14.686 1.00 17.10 C -ATOM 1136 CB GLN A 136 -12.416 -0.589 -15.261 1.00 26.31 C -ATOM 1137 CG GLN A 136 -13.516 -0.674 -16.319 1.00 39.12 C -ATOM 1138 CD GLN A 136 -13.684 -2.054 -16.989 1.00 50.37 C -ATOM 1139 OE1 GLN A 136 -13.357 -2.215 -18.168 1.00 73.70 O -ATOM 1140 NE2 GLN A 136 -14.221 -3.031 -16.258 1.00 44.72 N -ATOM 1141 C GLN A 136 -13.103 1.167 -13.481 1.00 11.77 C -ATOM 1142 O GLN A 136 -12.830 0.791 -12.334 1.00 9.83 O -ATOM 1143 N ARG A 137 -14.152 1.938 -13.765 1.00 9.13 N -ATOM 1144 CA ARG A 137 -15.281 2.236 -12.886 1.00 9.26 C -ATOM 1145 CB ARG A 137 -16.520 2.309 -13.770 1.00 9.45 C -ATOM 1146 CG ARG A 137 -16.683 3.617 -14.500 1.00 7.99 C -ATOM 1147 CD ARG A 137 -17.935 3.540 -15.336 1.00 8.29 C -ATOM 1148 NE ARG A 137 -18.307 4.873 -15.709 1.00 7.81 N -ATOM 1149 CZ ARG A 137 -19.408 5.191 -16.336 1.00 6.98 C -ATOM 1150 NH1 ARG A 137 -20.286 4.281 -16.706 1.00 7.55 N -ATOM 1151 NH2 ARG A 137 -19.631 6.452 -16.580 1.00 7.93 N -ATOM 1152 C ARG A 137 -15.574 1.223 -11.794 1.00 9.30 C -ATOM 1153 O ARG A 137 -15.500 1.506 -10.590 1.00 7.70 O -ATOM 1154 N GLY A 138 -15.917 0.011 -12.234 1.00 10.91 N -ATOM 1155 CA GLY A 138 -16.152 -1.093 -11.343 1.00 11.21 C -ATOM 1156 C GLY A 138 -15.083 -1.204 -10.312 1.00 11.70 C -ATOM 1157 O GLY A 138 -15.334 -1.111 -9.126 1.00 13.34 O -ATOM 1158 N LEU A 139 -13.849 -1.415 -10.762 1.00 14.08 N -ATOM 1159 CA LEU A 139 -12.791 -1.586 -9.828 1.00 18.01 C -ATOM 1160 CB LEU A 139 -11.470 -2.035 -10.488 1.00 28.25 C -ATOM 1161 CG LEU A 139 -11.356 -3.536 -10.805 1.00 37.18 C -ATOM 1162 CD1 LEU A 139 -11.701 -4.374 -9.581 1.00 34.03 C -ATOM 1163 CD2 LEU A 139 -12.236 -3.929 -11.990 1.00 43.14 C -ATOM 1164 C LEU A 139 -12.579 -0.373 -8.977 1.00 12.45 C -ATOM 1165 O LEU A 139 -12.099 -0.518 -7.868 1.00 12.20 O -ATOM 1166 N ILE A 140 -12.862 0.826 -9.497 1.00 12.62 N -ATOM 1167 CA ILE A 140 -12.638 1.996 -8.654 1.00 18.00 C -ATOM 1168 CB ILE A 140 -12.453 3.353 -9.368 1.00 27.50 C -ATOM 1169 CG1 ILE A 140 -12.418 4.550 -8.348 1.00 57.40 C -ATOM 1170 CD1 ILE A 140 -11.336 4.560 -7.245 1.00 51.20 C -ATOM 1171 CG2 ILE A 140 -13.513 3.583 -10.401 1.00 31.26 C -ATOM 1172 C ILE A 140 -13.679 2.069 -7.568 1.00 14.01 C -ATOM 1173 O ILE A 140 -13.344 2.466 -6.459 1.00 12.52 O -ATOM 1174 N ILE A 141 -14.912 1.625 -7.857 1.00 10.25 N -ATOM 1175 CA ILE A 141 -15.865 1.446 -6.781 1.00 9.31 C -ATOM 1176 CB ILE A 141 -17.181 0.878 -7.275 1.00 9.76 C -ATOM 1177 CG1 ILE A 141 -17.937 1.999 -7.981 1.00 10.18 C -ATOM 1178 CD1 ILE A 141 -18.192 3.188 -7.076 1.00 11.74 C -ATOM 1179 CG2 ILE A 141 -17.953 0.212 -6.121 1.00 8.46 C -ATOM 1180 C ILE A 141 -15.268 0.557 -5.681 1.00 8.65 C -ATOM 1181 O ILE A 141 -15.296 0.917 -4.487 1.00 8.01 O -ATOM 1182 N PHE A 142 -14.686 -0.576 -6.076 1.00 7.17 N -ATOM 1184 CA PHE A 142 -14.227 -1.523 -5.090 1.00 6.50 C -ATOM 1186 CB PHE A 142 -14.069 -2.912 -5.707 1.00 6.27 C -ATOM 1188 CG PHE A 142 -15.367 -3.495 -6.198 1.00 6.80 C -ATOM 1190 CD1 PHE A 142 -16.388 -3.827 -5.301 1.00 6.62 C -ATOM 1192 CE1 PHE A 142 -17.575 -4.353 -5.749 1.00 5.81 C -ATOM 1194 CZ PHE A 142 -17.774 -4.532 -7.091 1.00 6.29 C -ATOM 1196 CE2 PHE A 142 -16.797 -4.215 -7.996 1.00 5.97 C -ATOM 1198 CD2 PHE A 142 -15.609 -3.686 -7.562 1.00 6.58 C -ATOM 1200 C PHE A 142 -12.990 -0.990 -4.376 1.00 7.08 C -ATOM 1202 O PHE A 142 -12.779 -1.253 -3.163 1.00 6.64 O -ATOM 1204 N ALA A 143 -12.184 -0.193 -5.091 1.00 7.18 N -ATOM 1205 CA ALA A 143 -11.047 0.446 -4.455 1.00 7.45 C -ATOM 1206 CB ALA A 143 -10.145 1.161 -5.458 1.00 8.30 C -ATOM 1207 C ALA A 143 -11.558 1.432 -3.419 1.00 8.58 C -ATOM 1208 O ALA A 143 -11.094 1.489 -2.264 1.00 8.72 O -ATOM 1209 N LEU A 144 -12.548 2.209 -3.841 1.00 8.93 N -ATOM 1210 CA LEU A 144 -13.133 3.191 -2.989 1.00 10.41 C -ATOM 1211 CB LEU A 144 -14.058 4.036 -3.822 1.00 9.30 C -ATOM 1212 CG LEU A 144 -14.677 5.221 -3.110 1.00 12.78 C -ATOM 1213 CD1 LEU A 144 -13.649 6.217 -2.586 1.00 12.69 C -ATOM 1214 CD2 LEU A 144 -15.669 5.878 -4.079 1.00 12.97 C -ATOM 1215 C LEU A 144 -13.777 2.567 -1.687 1.00 10.09 C -ATOM 1216 O LEU A 144 -13.587 3.072 -0.575 1.00 9.09 O -ATOM 1217 N ILE A 145 -14.497 1.453 -1.835 1.00 9.56 N -ATOM 1218 CA ILE A 145 -15.035 0.730 -0.688 1.00 9.18 C -ATOM 1219 CB ILE A 145 -15.927 -0.454 -1.163 1.00 9.69 C -ATOM 1220 CG1 ILE A 145 -17.253 0.049 -1.747 1.00 8.27 C -ATOM 1221 CD1 ILE A 145 -18.043 -1.011 -2.461 1.00 8.96 C -ATOM 1222 CG2 ILE A 145 -16.283 -1.393 -0.036 1.00 9.74 C -ATOM 1223 C ILE A 145 -13.896 0.259 0.256 1.00 10.93 C -ATOM 1224 O ILE A 145 -14.018 0.353 1.476 1.00 9.25 O -ATOM 1225 N TRP A 146 -12.800 -0.251 -0.322 1.00 12.33 N -ATOM 1226 CA TRP A 146 -11.644 -0.714 0.448 1.00 15.03 C -ATOM 1227 CB TRP A 146 -10.558 -1.280 -0.490 1.00 16.66 C -ATOM 1228 CG TRP A 146 -9.649 -2.243 0.222 1.00 23.89 C -ATOM 1229 CD1 TRP A 146 -8.296 -2.111 0.477 1.00 22.13 C -ATOM 1230 NE1 TRP A 146 -7.855 -3.213 1.194 1.00 25.00 N -ATOM 1231 CE2 TRP A 146 -8.920 -4.053 1.406 1.00 28.39 C -ATOM 1232 CD2 TRP A 146 -10.053 -3.477 0.805 1.00 25.86 C -ATOM 1233 CE3 TRP A 146 -11.282 -4.158 0.870 1.00 33.64 C -ATOM 1234 CZ3 TRP A 146 -11.337 -5.380 1.533 1.00 35.89 C -ATOM 1235 CH2 TRP A 146 -10.186 -5.927 2.112 1.00 33.24 C -ATOM 1236 CZ2 TRP A 146 -8.975 -5.276 2.063 1.00 32.56 C -ATOM 1237 C TRP A 146 -11.076 0.432 1.309 1.00 13.29 C -ATOM 1238 O TRP A 146 -10.791 0.273 2.497 1.00 11.57 O -ATOM 1239 N ILE A 147 -10.981 1.608 0.699 1.00 12.37 N -ATOM 1240 CA ILE A 147 -10.475 2.803 1.370 1.00 13.81 C -ATOM 1241 CB ILE A 147 -10.276 3.945 0.343 1.00 13.43 C -ATOM 1242 CG1 ILE A 147 -9.134 3.603 -0.634 1.00 14.72 C -ATOM 1243 CD1 ILE A 147 -9.092 4.535 -1.826 1.00 17.13 C -ATOM 1244 CG2 ILE A 147 -9.962 5.252 1.030 1.00 13.86 C -ATOM 1245 C ILE A 147 -11.420 3.221 2.495 1.00 11.85 C -ATOM 1246 O ILE A 147 -10.995 3.540 3.575 1.00 11.58 O -ATOM 1247 N VAL A 148 -12.727 3.205 2.225 1.00 13.87 N -ATOM 1248 CA VAL A 148 -13.723 3.495 3.249 1.00 12.37 C -ATOM 1249 CB VAL A 148 -15.143 3.478 2.666 1.00 13.53 C -ATOM 1250 CG1 VAL A 148 -16.180 3.661 3.764 1.00 12.17 C -ATOM 1251 CG2 VAL A 148 -15.302 4.601 1.634 1.00 14.45 C -ATOM 1252 C VAL A 148 -13.614 2.510 4.430 1.00 12.18 C -ATOM 1253 O VAL A 148 -13.745 2.904 5.593 1.00 10.26 O -ATOM 1254 N ALA A 149 -13.403 1.224 4.125 1.00 12.37 N -ATOM 1255 CA ALA A 149 -13.306 0.187 5.150 1.00 13.92 C -ATOM 1256 CB ALA A 149 -13.015 -1.159 4.521 1.00 12.52 C -ATOM 1257 C ALA A 149 -12.170 0.545 6.122 1.00 19.91 C -ATOM 1258 O ALA A 149 -12.348 0.521 7.359 1.00 18.95 O -ATOM 1259 N GLY A 150 -11.016 0.873 5.532 1.00 15.29 N -ATOM 1260 CA GLY A 150 -9.816 1.259 6.267 1.00 21.90 C -ATOM 1261 C GLY A 150 -10.055 2.506 7.099 1.00 21.19 C -ATOM 1262 O GLY A 150 -9.732 2.519 8.292 1.00 20.08 O -ATOM 1263 N TRP A 151 -10.692 3.518 6.501 1.00 14.25 N -ATOM 1264 CA TRP A 151 -10.854 4.789 7.175 1.00 16.10 C -ATOM 1265 CB TRP A 151 -11.450 5.861 6.239 1.00 21.32 C -ATOM 1266 CG TRP A 151 -11.406 7.185 6.895 1.00 26.58 C -ATOM 1267 CD1 TRP A 151 -12.451 7.907 7.416 1.00 28.90 C -ATOM 1268 NE1 TRP A 151 -11.990 9.068 7.986 1.00 29.20 N -ATOM 1269 CE2 TRP A 151 -10.619 9.095 7.887 1.00 43.17 C -ATOM 1270 CD2 TRP A 151 -10.217 7.917 7.207 1.00 43.04 C -ATOM 1271 CE3 TRP A 151 -8.844 7.698 6.964 1.00 35.00 C -ATOM 1272 CZ3 TRP A 151 -7.932 8.639 7.408 1.00 39.38 C -ATOM 1273 CH2 TRP A 151 -8.360 9.809 8.085 1.00 36.13 C -ATOM 1274 CZ2 TRP A 151 -9.691 10.053 8.334 1.00 47.28 C -ATOM 1275 C TRP A 151 -11.724 4.655 8.445 1.00 16.03 C -ATOM 1276 O TRP A 151 -11.417 5.174 9.498 1.00 20.42 O -ATOM 1277 N PHE A 152 -12.842 3.951 8.320 1.00 13.13 N -ATOM 1278 CA PHE A 152 -13.764 3.779 9.394 1.00 9.38 C -ATOM 1279 CB PHE A 152 -15.187 3.803 8.834 1.00 8.08 C -ATOM 1280 CG PHE A 152 -15.601 5.131 8.330 1.00 6.45 C -ATOM 1281 CD1 PHE A 152 -16.002 6.103 9.203 1.00 6.02 C -ATOM 1282 CE1 PHE A 152 -16.399 7.350 8.742 1.00 6.85 C -ATOM 1283 CZ PHE A 152 -16.361 7.628 7.384 1.00 6.58 C -ATOM 1284 CE2 PHE A 152 -15.919 6.654 6.504 1.00 6.07 C -ATOM 1285 CD2 PHE A 152 -15.553 5.412 6.983 1.00 6.21 C -ATOM 1286 C PHE A 152 -13.472 2.497 10.160 1.00 9.61 C -ATOM 1287 O PHE A 152 -14.225 2.123 10.984 1.00 10.68 O -ATOM 1288 N ASP A 153 -12.334 1.858 9.897 1.00 15.13 N -ATOM 1289 CA ASP A 153 -11.897 0.668 10.618 1.00 18.45 C -ATOM 1290 CB ASP A 153 -11.394 0.936 12.066 1.00 27.46 C -ATOM 1291 CG ASP A 153 -10.541 -0.277 12.620 1.00 33.43 C -ATOM 1292 OD1 ASP A 153 -9.961 -1.021 11.773 1.00 34.18 O -ATOM 1293 OD2 ASP A 153 -10.484 -0.519 13.858 1.00 24.69 O -ATOM 1294 C ASP A 153 -12.957 -0.394 10.660 1.00 15.88 C -ATOM 1295 O ASP A 153 -13.323 -0.884 11.714 1.00 13.39 O -ATOM 1296 N LEU A 154 -13.415 -0.795 9.476 1.00 15.14 N -ATOM 1297 CA LEU A 154 -14.434 -1.817 9.380 1.00 16.65 C -ATOM 1298 CB LEU A 154 -15.242 -1.589 8.094 1.00 12.61 C -ATOM 1299 CG LEU A 154 -15.959 -0.224 8.045 1.00 10.24 C -ATOM 1300 CD1 LEU A 154 -16.777 -0.077 6.748 1.00 11.72 C -ATOM 1301 CD2 LEU A 154 -16.838 -0.013 9.251 1.00 8.03 C -ATOM 1302 C LEU A 154 -13.824 -3.230 9.518 1.00 17.35 C -ATOM 1303 O LEU A 154 -14.518 -4.206 9.461 1.00 22.93 O -ATOM 1304 N PHE A 155 -12.525 -3.299 9.796 1.00 24.98 N -ATOM 1305 CA PHE A 155 -11.747 -4.537 9.869 1.00 33.79 C -ATOM 1306 CB PHE A 155 -10.426 -4.311 9.168 1.00 27.67 C -ATOM 1307 CG PHE A 155 -10.553 -4.208 7.675 1.00 32.42 C -ATOM 1308 CD1 PHE A 155 -11.226 -5.193 6.947 1.00 22.21 C -ATOM 1309 CE1 PHE A 155 -11.310 -5.122 5.570 1.00 25.70 C -ATOM 1310 CZ PHE A 155 -10.716 -4.068 4.896 1.00 29.02 C -ATOM 1311 CE2 PHE A 155 -10.043 -3.077 5.605 1.00 43.09 C -ATOM 1312 CD2 PHE A 155 -9.957 -3.151 6.989 1.00 34.21 C -ATOM 1313 C PHE A 155 -11.427 -4.985 11.278 1.00 37.83 C -ATOM 1314 O PHE A 155 -11.794 -4.306 12.241 1.00 28.41 O -ATOM 1315 N GLY A 156 -10.741 -6.138 11.370 1.00 38.40 N -ATOM 1316 CA GLY A 156 -10.259 -6.713 12.613 1.00 35.24 C -ATOM 1317 C GLY A 156 -9.448 -5.769 13.495 1.00 26.60 C -ATOM 1318 O GLY A 156 -9.930 -5.275 14.487 1.00 47.21 O -ATOM 1319 N MET A 157 -8.197 -5.529 13.132 1.00 24.95 N -ATOM 1320 CA MET A 157 -7.296 -4.782 13.983 1.00 28.59 C -ATOM 1321 CB MET A 157 -5.888 -5.384 13.942 1.00 39.60 C -ATOM 1322 CG MET A 157 -4.977 -5.066 12.746 1.00 47.28 C -ATOM 1323 SD MET A 157 -3.201 -5.170 13.219 1.00 49.14 S -ATOM 1324 CE MET A 157 -3.110 -6.845 13.890 1.00 47.84 C -ATOM 1325 C MET A 157 -7.309 -3.314 13.608 1.00 26.25 C -ATOM 1326 O MET A 157 -7.988 -2.945 12.691 1.00 24.50 O -ATOM 1327 N SER A 158 -6.545 -2.486 14.332 1.00 24.79 N -ATOM 1328 CA SER A 158 -6.371 -1.083 13.990 1.00 25.23 C -ATOM 1329 CB SER A 158 -5.528 -0.392 15.033 1.00 32.87 C -ATOM 1330 OG SER A 158 -6.103 -0.594 16.277 1.00 32.23 O -ATOM 1331 C SER A 158 -5.723 -0.865 12.615 1.00 23.56 C -ATOM 1332 O SER A 158 -4.885 -1.642 12.143 1.00 17.24 O -ATOM 1333 N MET A 159 -6.134 0.218 11.965 1.00 22.08 N -ATOM 1334 CA MET A 159 -5.626 0.533 10.656 1.00 24.12 C -ATOM 1335 CB MET A 159 -6.745 1.116 9.771 1.00 30.07 C -ATOM 1336 CG MET A 159 -7.820 0.102 9.390 1.00 25.31 C -ATOM 1337 SD MET A 159 -7.275 -1.096 8.176 1.00 33.07 S -ATOM 1338 CE MET A 159 -7.001 -2.494 9.284 1.00 33.31 C -ATOM 1339 C MET A 159 -4.494 1.523 10.841 1.00 18.37 C -ATOM 1340 O MET A 159 -4.517 2.376 11.736 1.00 14.74 O -ATOM 1341 N ALA A 160 -3.483 1.408 9.985 1.00 17.85 N -ATOM 1342 CA ALA A 160 -2.404 2.387 9.960 1.00 14.05 C -ATOM 1343 CB ALA A 160 -1.154 1.742 9.332 1.00 15.78 C -ATOM 1344 C ALA A 160 -2.957 3.541 9.127 1.00 12.19 C -ATOM 1345 O ALA A 160 -2.830 3.541 7.914 1.00 12.07 O -ATOM 1346 N ASN A 161 -3.611 4.500 9.793 1.00 13.53 N -ATOM 1347 CA ASN A 161 -4.283 5.606 9.107 1.00 19.51 C -ATOM 1348 CB ASN A 161 -5.188 6.414 10.022 1.00 17.89 C -ATOM 1349 CG ASN A 161 -6.345 5.596 10.571 1.00 22.17 C -ATOM 1350 OD1 ASN A 161 -6.553 5.558 11.777 1.00 33.97 O -ATOM 1351 ND2 ASN A 161 -7.097 4.942 9.700 1.00 23.40 N -ATOM 1352 C ASN A 161 -3.294 6.555 8.450 1.00 17.15 C -ATOM 1353 O ASN A 161 -3.554 7.064 7.361 1.00 12.86 O -ATOM 1354 N GLY A 162 -2.133 6.718 9.085 1.00 13.45 N -ATOM 1355 CA GLY A 162 -1.093 7.574 8.553 1.00 13.72 C -ATOM 1356 C GLY A 162 -0.479 6.964 7.328 1.00 11.46 C -ATOM 1357 O GLY A 162 -0.303 7.642 6.350 1.00 13.83 O -ATOM 1358 N ALA A 163 -0.138 5.673 7.390 1.00 12.52 N -ATOM 1359 CA ALA A 163 0.364 4.973 6.219 1.00 12.63 C -ATOM 1360 CB ALA A 163 0.676 3.505 6.507 1.00 14.33 C -ATOM 1361 C ALA A 163 -0.644 5.070 5.069 1.00 15.22 C -ATOM 1362 O ALA A 163 -0.237 5.149 3.912 1.00 15.81 O -ATOM 1363 N HIS A 164 -1.951 4.975 5.371 1.00 16.26 N -ATOM 1364 CA HIS A 164 -2.958 4.974 4.298 1.00 13.79 C -ATOM 1365 CB HIS A 164 -4.335 4.565 4.794 1.00 13.42 C -ATOM 1366 CG HIS A 164 -4.469 3.097 5.028 1.00 13.02 C -ATOM 1367 ND1 HIS A 164 -5.401 2.562 5.888 1.00 17.19 N -ATOM 1368 CE1 HIS A 164 -5.308 1.247 5.879 1.00 14.34 C -ATOM 1369 NE2 HIS A 164 -4.311 0.906 5.084 1.00 14.26 N -ATOM 1370 CD2 HIS A 164 -3.771 2.048 4.538 1.00 16.05 C -ATOM 1371 C HIS A 164 -3.026 6.315 3.587 1.00 15.17 C -ATOM 1372 O HIS A 164 -3.044 6.360 2.347 1.00 9.69 O -ATOM 1373 N ILE A 165 -3.071 7.394 4.383 1.00 14.29 N -ATOM 1374 CA ILE A 165 -3.229 8.733 3.872 1.00 16.34 C -ATOM 1375 CB ILE A 165 -3.393 9.796 4.981 1.00 21.89 C -ATOM 1376 CG1 ILE A 165 -4.583 9.512 5.874 1.00 33.29 C -ATOM 1377 CD1 ILE A 165 -4.469 10.182 7.244 1.00 39.80 C -ATOM 1378 CG2 ILE A 165 -3.602 11.175 4.368 1.00 25.23 C -ATOM 1379 C ILE A 165 -1.964 9.076 3.076 1.00 13.49 C -ATOM 1380 O ILE A 165 -2.040 9.587 1.980 1.00 14.19 O -ATOM 1381 N ALA A 166 -0.797 8.779 3.647 1.00 11.61 N -ATOM 1382 CA ALA A 166 0.461 9.080 3.004 1.00 12.97 C -ATOM 1383 CB ALA A 166 1.574 8.814 3.970 1.00 13.37 C -ATOM 1384 C ALA A 166 0.664 8.321 1.649 1.00 12.77 C -ATOM 1385 O ALA A 166 1.108 8.901 0.658 1.00 16.05 O -ATOM 1386 N GLY A 167 0.284 7.049 1.612 1.00 11.83 N -ATOM 1387 CA GLY A 167 0.439 6.199 0.445 1.00 12.25 C -ATOM 1388 C GLY A 167 -0.467 6.715 -0.657 1.00 16.57 C -ATOM 1389 O GLY A 167 -0.024 6.926 -1.779 1.00 15.94 O -ATOM 1390 N LEU A 168 -1.731 6.985 -0.312 1.00 16.37 N -ATOM 1391 CA LEU A 168 -2.696 7.517 -1.286 1.00 18.66 C -ATOM 1392 CB LEU A 168 -4.066 7.763 -0.643 1.00 16.91 C -ATOM 1393 CG LEU A 168 -5.214 8.272 -1.534 1.00 17.02 C -ATOM 1394 CD1 LEU A 168 -5.440 7.356 -2.735 1.00 16.33 C -ATOM 1395 CD2 LEU A 168 -6.470 8.342 -0.681 1.00 18.17 C -ATOM 1396 C LEU A 168 -2.163 8.834 -1.878 1.00 17.50 C -ATOM 1397 O LEU A 168 -2.162 8.995 -3.085 1.00 15.54 O -ATOM 1398 N ALA A 169 -1.712 9.746 -1.003 1.00 15.54 N -ATOM 1399 CA ALA A 169 -1.125 11.018 -1.399 1.00 19.82 C -ATOM 1400 CB ALA A 169 -0.655 11.790 -0.174 1.00 20.15 C -ATOM 1401 C ALA A 169 0.039 10.857 -2.376 1.00 17.04 C -ATOM 1402 O ALA A 169 0.122 11.566 -3.354 1.00 18.40 O -ATOM 1403 N VAL A 170 0.961 9.945 -2.058 1.00 16.33 N -ATOM 1404 CA VAL A 170 2.125 9.690 -2.900 1.00 15.30 C -ATOM 1405 CB VAL A 170 3.022 8.616 -2.266 1.00 15.13 C -ATOM 1406 CG1 VAL A 170 3.965 7.995 -3.280 1.00 17.24 C -ATOM 1407 CG2 VAL A 170 3.825 9.209 -1.161 1.00 17.75 C -ATOM 1408 C VAL A 170 1.696 9.250 -4.321 1.00 12.50 C -ATOM 1409 O VAL A 170 2.227 9.733 -5.309 1.00 15.58 O -ATOM 1410 N GLY A 171 0.735 8.332 -4.388 1.00 12.65 N -ATOM 1411 CA GLY A 171 0.204 7.817 -5.630 1.00 12.55 C -ATOM 1412 C GLY A 171 -0.390 8.924 -6.496 1.00 12.05 C -ATOM 1413 O GLY A 171 -0.091 9.054 -7.681 1.00 10.67 O -ATOM 1414 N LEU A 172 -1.279 9.711 -5.892 1.00 12.60 N -ATOM 1415 CA LEU A 172 -1.934 10.817 -6.579 1.00 10.75 C -ATOM 1416 CB LEU A 172 -2.907 11.536 -5.652 1.00 10.43 C -ATOM 1417 CG LEU A 172 -4.128 10.678 -5.252 1.00 10.97 C -ATOM 1418 CD1 LEU A 172 -5.015 11.463 -4.288 1.00 10.41 C -ATOM 1419 CD2 LEU A 172 -4.959 10.105 -6.393 1.00 9.57 C -ATOM 1420 C LEU A 172 -0.900 11.798 -7.127 1.00 10.15 C -ATOM 1421 O LEU A 172 -0.999 12.248 -8.262 1.00 11.39 O -ATOM 1422 N ALA A 173 0.112 12.094 -6.313 1.00 11.33 N -ATOM 1423 CA ALA A 173 1.126 13.088 -6.614 1.00 11.38 C -ATOM 1424 CB ALA A 173 1.934 13.418 -5.348 1.00 11.60 C -ATOM 1425 C ALA A 173 2.056 12.649 -7.741 1.00 10.08 C -ATOM 1426 O ALA A 173 2.455 13.451 -8.558 1.00 6.75 O -ATOM 1427 N MET A 174 2.456 11.374 -7.721 1.00 11.63 N -ATOM 1428 CA MET A 174 3.263 10.831 -8.793 1.00 11.25 C -ATOM 1429 CB MET A 174 3.823 9.468 -8.421 1.00 12.02 C -ATOM 1430 CG MET A 174 4.950 9.544 -7.388 1.00 15.32 C -ATOM 1431 SD MET A 174 5.485 7.875 -6.908 1.00 15.04 S -ATOM 1432 CE MET A 174 6.720 7.563 -8.202 1.00 12.84 C -ATOM 1433 C MET A 174 2.489 10.773 -10.114 1.00 11.07 C -ATOM 1434 O MET A 174 3.076 10.989 -11.207 1.00 9.35 O -ATOM 1435 N ALA A 175 1.181 10.484 -10.015 1.00 11.79 N -ATOM 1436 CA ALA A 175 0.295 10.448 -11.182 1.00 11.52 C -ATOM 1437 CB ALA A 175 -1.097 9.927 -10.804 1.00 12.52 C -ATOM 1438 C ALA A 175 0.215 11.831 -11.828 1.00 10.15 C -ATOM 1439 O ALA A 175 0.305 11.953 -13.028 1.00 9.36 O -ATOM 1440 N PHE A 176 0.054 12.852 -10.984 1.00 10.78 N -ATOM 1441 CA PHE A 176 0.043 14.263 -11.341 1.00 11.72 C -ATOM 1442 CB PHE A 176 -0.137 15.127 -10.076 1.00 14.22 C -ATOM 1443 CG PHE A 176 -0.197 16.578 -10.362 1.00 18.68 C -ATOM 1444 CD1 PHE A 176 -1.403 17.186 -10.628 1.00 22.29 C -ATOM 1445 CE1 PHE A 176 -1.450 18.523 -10.940 1.00 25.58 C -ATOM 1446 CZ PHE A 176 -0.288 19.268 -10.997 1.00 24.53 C -ATOM 1447 CE2 PHE A 176 0.921 18.675 -10.737 1.00 25.31 C -ATOM 1448 CD2 PHE A 176 0.963 17.332 -10.422 1.00 23.15 C -ATOM 1449 C PHE A 176 1.325 14.661 -12.052 1.00 11.73 C -ATOM 1450 O PHE A 176 1.297 15.234 -13.155 1.00 11.14 O -ATOM 1451 N VAL A 177 2.456 14.347 -11.417 1.00 10.67 N -ATOM 1452 CA VAL A 177 3.759 14.644 -11.975 1.00 11.71 C -ATOM 1453 CB VAL A 177 4.911 14.272 -10.989 1.00 16.60 C -ATOM 1454 CG1 VAL A 177 6.291 14.307 -11.689 1.00 14.00 C -ATOM 1455 CG2 VAL A 177 4.873 15.193 -9.747 1.00 16.83 C -ATOM 1456 C VAL A 177 3.925 13.931 -13.317 1.00 8.91 C -ATOM 1457 O VAL A 177 4.273 14.555 -14.262 1.00 6.73 O -ATOM 1458 N ASP A 178 3.633 12.626 -13.374 1.00 9.91 N -ATOM 1459 CA ASP A 178 3.731 11.864 -14.625 1.00 10.55 C -ATOM 1460 CB ASP A 178 3.514 10.398 -14.411 1.00 9.42 C -ATOM 1461 CG ASP A 178 4.596 9.765 -13.576 1.00 12.66 C -ATOM 1462 OD1 ASP A 178 5.593 10.461 -13.286 1.00 10.80 O -ATOM 1463 OD2 ASP A 178 4.477 8.550 -13.222 1.00 9.20 O -ATOM 1464 C ASP A 178 2.784 12.343 -15.736 1.00 11.79 C -ATOM 1465 O ASP A 178 3.082 12.152 -16.911 1.00 11.79 O -ATOM 1466 N SER A 179 1.685 12.998 -15.350 1.00 15.85 N -ATOM 1467 CA SER A 179 0.691 13.529 -16.280 1.00 17.77 C -ATOM 1468 CB SER A 179 -0.619 13.751 -15.552 1.00 18.19 C -ATOM 1469 OG SER A 179 -1.196 12.529 -15.190 1.00 25.24 O -ATOM 1470 C SER A 179 1.080 14.864 -16.891 1.00 25.25 C -ATOM 1471 O SER A 179 0.421 15.345 -17.837 1.00 25.62 O -ATOM 1472 N LEU A 180 2.102 15.514 -16.328 1.00 26.63 N -ATOM 1473 CA LEU A 180 2.530 16.784 -16.880 1.00 29.49 C -ATOM 1474 CB LEU A 180 3.360 17.564 -15.869 1.00 27.08 C -ATOM 1475 CG LEU A 180 2.564 18.112 -14.687 1.00 25.36 C -ATOM 1476 CD1 LEU A 180 3.519 18.812 -13.741 1.00 29.68 C -ATOM 1477 CD2 LEU A 180 1.477 19.071 -15.132 1.00 25.61 C -ATOM 1478 C LEU A 180 3.251 16.541 -18.220 1.00 36.61 C -ATOM 1479 O LEU A 180 3.106 17.345 -19.167 1.00 32.04 O -ATOM 1480 N ASN A 181 3.971 15.410 -18.299 1.00 38.78 N -ATOM 1481 CA ASN A 181 4.630 14.949 -19.529 1.00 54.97 C -ATOM 1482 CB ASN A 181 5.617 13.800 -19.244 1.00 67.37 C -ATOM 1483 CG ASN A 181 6.565 14.084 -18.071 1.00 73.12 C -ATOM 1484 OD1 ASN A 181 7.642 14.666 -18.241 1.00 52.00 O -ATOM 1485 ND2 ASN A 181 6.176 13.634 -16.880 1.00 60.66 N -ATOM 1486 C ASN A 181 3.612 14.475 -20.596 1.00 76.54 C -ATOM 1487 O ASN A 181 2.747 13.619 -20.311 1.00 63.45 O -ATOM 1488 N ALA A 182 3.738 15.038 -21.812 1.00 63.44 N -ATOM 1489 CA ALA A 182 2.865 14.773 -22.969 1.00 54.25 C -ATOM 1490 CB ALA A 182 3.249 13.467 -23.654 1.00 52.80 C -ATOM 1491 C ALA A 182 1.379 14.774 -22.610 1.00 57.61 C -ATOM 1492 O ALA A 182 0.937 15.551 -21.763 1.00 50.41 O +ATOM 1 N GLU A 1 1.311 -15.199 -19.354 1.00 43.35 N +ATOM 2 CA GLU A 1 1.608 -14.582 -18.029 1.00 55.59 C +ATOM 3 CB GLU A 1 3.113 -14.381 -17.880 1.00 53.53 C +ATOM 4 CG GLU A 1 3.636 -14.484 -16.462 1.00 34.05 C +ATOM 5 CD GLU A 1 5.131 -14.384 -16.480 1.00 37.82 C +ATOM 6 OE1 GLU A 1 5.621 -13.241 -16.483 1.00 53.50 O +ATOM 7 OE2 GLU A 1 5.819 -15.428 -16.540 1.00 36.54 O +ATOM 8 C GLU A 1 0.857 -13.260 -17.825 1.00 46.53 C +ATOM 9 O GLU A 1 -0.271 -13.118 -18.312 1.00 50.24 O +ATOM 10 N ARG A 2 1.498 -12.314 -17.122 1.00 38.93 N +ATOM 11 CA ARG A 2 0.857 -11.127 -16.537 1.00 54.74 C +ATOM 12 CB ARG A 2 -0.418 -11.529 -15.735 1.00 50.45 C +ATOM 13 CG ARG A 2 -0.876 -10.604 -14.599 1.00 57.12 C +ATOM 14 CD ARG A 2 -2.086 -9.742 -14.940 1.00 57.44 C +ATOM 15 NE ARG A 2 -2.035 -8.405 -14.316 1.00 52.68 N +ATOM 16 CZ ARG A 2 -2.859 -7.400 -14.633 1.00 48.62 C +ATOM 17 NH1 ARG A 2 -3.829 -7.561 -15.546 1.00 54.86 N +ATOM 18 NH2 ARG A 2 -2.738 -6.227 -14.034 1.00 28.66 N +ATOM 19 C ARG A 2 1.897 -10.383 -15.668 1.00 66.99 C +ATOM 20 O ARG A 2 2.339 -9.293 -16.033 1.00 85.13 O +ATOM 21 N ALA A 3 2.284 -10.993 -14.537 1.00 43.05 N +ATOM 22 CA ALA A 3 3.241 -10.420 -13.573 1.00 41.35 C +ATOM 23 CB ALA A 3 3.187 -11.202 -12.236 1.00 34.83 C +ATOM 24 C ALA A 3 4.710 -10.385 -14.086 1.00 29.58 C +ATOM 25 O ALA A 3 5.345 -11.444 -14.219 1.00 21.07 O +ATOM 26 N GLY A 4 5.236 -9.175 -14.339 1.00 20.97 N +ATOM 27 CA GLY A 4 6.659 -8.957 -14.505 1.00 16.58 C +ATOM 28 C GLY A 4 7.452 -9.302 -13.238 1.00 18.06 C +ATOM 29 O GLY A 4 6.890 -9.605 -12.176 1.00 16.28 O +ATOM 30 N PRO A 5 8.800 -9.212 -13.289 1.00 12.89 N +ATOM 31 CA PRO A 5 9.636 -9.638 -12.164 1.00 10.80 C +ATOM 32 CB PRO A 5 11.081 -9.444 -12.701 1.00 10.45 C +ATOM 33 CG PRO A 5 10.927 -8.487 -13.836 1.00 9.74 C +ATOM 34 CD PRO A 5 9.571 -8.690 -14.428 1.00 10.46 C +ATOM 35 C PRO A 5 9.435 -8.850 -10.895 1.00 11.27 C +ATOM 36 O PRO A 5 9.602 -9.408 -9.823 1.00 13.59 O +ATOM 37 N VAL A 6 9.148 -7.550 -10.990 1.00 9.93 N +ATOM 38 CA VAL A 6 9.001 -6.772 -9.772 1.00 12.26 C +ATOM 39 CB VAL A 6 9.023 -5.261 -10.034 1.00 17.71 C +ATOM 40 CG1 VAL A 6 8.714 -4.487 -8.757 1.00 14.58 C +ATOM 41 CG2 VAL A 6 10.376 -4.846 -10.614 1.00 17.43 C +ATOM 42 C VAL A 6 7.694 -7.171 -9.102 1.00 10.99 C +ATOM 43 O VAL A 6 7.657 -7.437 -7.900 1.00 8.01 O +ATOM 44 N THR A 7 6.617 -7.241 -9.895 1.00 10.58 N +ATOM 45 CA THR A 7 5.335 -7.735 -9.369 1.00 12.65 C +ATOM 46 CB THR A 7 4.294 -7.865 -10.467 1.00 11.06 C +ATOM 47 OG1 THR A 7 4.103 -6.566 -11.080 1.00 10.95 O +ATOM 48 CG2 THR A 7 3.000 -8.362 -9.825 1.00 11.91 C +ATOM 49 C THR A 7 5.483 -9.071 -8.633 1.00 13.19 C +ATOM 50 O THR A 7 4.997 -9.248 -7.527 1.00 10.71 O +ATOM 51 N TRP A 8 6.249 -9.974 -9.253 1.00 13.70 N +ATOM 52 CA TRP A 8 6.456 -11.332 -8.776 1.00 14.00 C +ATOM 53 CB TRP A 8 7.106 -12.092 -9.908 1.00 11.57 C +ATOM 54 CG TRP A 8 7.535 -13.448 -9.667 1.00 14.97 C +ATOM 55 CD1 TRP A 8 8.779 -13.946 -9.903 1.00 16.81 C +ATOM 56 NE1 TRP A 8 8.819 -15.275 -9.653 1.00 18.90 N +ATOM 57 CE2 TRP A 8 7.581 -15.683 -9.236 1.00 22.92 C +ATOM 58 CD2 TRP A 8 6.742 -14.549 -9.245 1.00 20.29 C +ATOM 59 CE3 TRP A 8 5.409 -14.696 -8.871 1.00 22.87 C +ATOM 60 CZ3 TRP A 8 4.963 -15.956 -8.468 1.00 29.87 C +ATOM 61 CH2 TRP A 8 5.823 -17.077 -8.478 1.00 30.00 C +ATOM 62 CZ2 TRP A 8 7.129 -16.962 -8.856 1.00 23.41 C +ATOM 63 C TRP A 8 7.317 -11.394 -7.521 1.00 11.19 C +ATOM 64 O TRP A 8 6.993 -12.088 -6.569 1.00 9.21 O +ATOM 65 N VAL A 9 8.449 -10.702 -7.545 1.00 10.48 N +ATOM 66 CA VAL A 9 9.378 -10.807 -6.459 1.00 13.92 C +ATOM 67 CB VAL A 9 10.766 -10.222 -6.796 1.00 19.41 C +ATOM 68 CG1 VAL A 9 11.596 -10.030 -5.534 1.00 25.01 C +ATOM 69 CG2 VAL A 9 11.486 -11.154 -7.731 1.00 20.11 C +ATOM 70 C VAL A 9 8.765 -10.242 -5.171 1.00 10.13 C +ATOM 71 O VAL A 9 8.952 -10.792 -4.130 1.00 7.20 O +ATOM 72 N MET A 10 7.990 -9.164 -5.274 1.00 10.15 N +ATOM 73 CA MET A 10 7.335 -8.630 -4.098 1.00 11.00 C +ATOM 74 CB MET A 10 6.602 -7.366 -4.503 1.00 14.36 C +ATOM 75 CG MET A 10 5.616 -6.838 -3.464 1.00 16.11 C +ATOM 76 SD MET A 10 6.453 -6.272 -1.969 1.00 21.05 S +ATOM 77 CE MET A 10 7.261 -4.794 -2.542 1.00 21.21 C +ATOM 78 C MET A 10 6.338 -9.659 -3.482 1.00 13.64 C +ATOM 79 O MET A 10 6.192 -9.721 -2.245 1.00 12.82 O +ATOM 80 N MET A 11 5.596 -10.381 -4.352 1.00 12.90 N +ATOM 81 CA MET A 11 4.616 -11.424 -3.940 1.00 14.44 C +ATOM 82 CB MET A 11 3.847 -11.970 -5.153 1.00 12.49 C +ATOM 83 CG MET A 11 2.837 -10.963 -5.682 1.00 14.38 C +ATOM 84 SD MET A 11 1.989 -11.336 -7.250 1.00 14.01 S +ATOM 85 CE MET A 11 0.573 -12.253 -6.625 1.00 15.48 C +ATOM 86 C MET A 11 5.335 -12.557 -3.209 1.00 13.69 C +ATOM 87 O MET A 11 4.985 -12.912 -2.093 1.00 13.74 O +ATOM 88 N ILE A 12 6.378 -13.078 -3.847 1.00 12.10 N +ATOM 89 CA ILE A 12 7.225 -14.082 -3.251 1.00 17.28 C +ATOM 90 CB ILE A 12 8.419 -14.368 -4.183 1.00 20.77 C +ATOM 91 CG1 ILE A 12 7.955 -15.208 -5.344 1.00 26.59 C +ATOM 92 CD1 ILE A 12 9.014 -15.336 -6.441 1.00 37.38 C +ATOM 93 CG2 ILE A 12 9.551 -15.065 -3.437 1.00 23.33 C +ATOM 94 C ILE A 12 7.733 -13.619 -1.872 1.00 13.47 C +ATOM 95 O ILE A 12 7.614 -14.319 -0.867 1.00 14.37 O +ATOM 96 N ALA A 13 8.297 -12.413 -1.841 1.00 14.13 N +ATOM 97 CA ALA A 13 8.863 -11.841 -0.640 1.00 11.62 C +ATOM 98 CB ALA A 13 9.474 -10.506 -0.925 1.00 10.69 C +ATOM 99 C ALA A 13 7.841 -11.724 0.488 1.00 13.08 C +ATOM 100 O ALA A 13 8.146 -12.070 1.606 1.00 14.09 O +ATOM 101 N CYS A 14 6.625 -11.256 0.175 1.00 12.24 N +ATOM 102 CA CYS A 14 5.561 -11.152 1.180 1.00 14.03 C +ATOM 103 CB CYS A 14 4.344 -10.398 0.593 1.00 12.92 C +ATOM 104 SG CYS A 14 4.623 -8.631 0.452 1.00 12.25 S +ATOM 105 C CYS A 14 5.109 -12.538 1.731 1.00 12.57 C +ATOM 106 O CYS A 14 4.809 -12.694 2.926 1.00 9.48 O +ATOM 107 N VAL A 15 5.080 -13.535 0.843 1.00 9.94 N +ATOM 108 CA VAL A 15 4.683 -14.857 1.236 1.00 11.41 C +ATOM 109 CB VAL A 15 4.377 -15.723 0.033 1.00 11.06 C +ATOM 110 CG1 VAL A 15 4.137 -17.138 0.509 1.00 10.96 C +ATOM 111 CG2 VAL A 15 3.135 -15.159 -0.703 1.00 10.71 C +ATOM 112 C VAL A 15 5.738 -15.487 2.147 1.00 13.34 C +ATOM 113 O VAL A 15 5.414 -16.031 3.216 1.00 9.03 O +ATOM 114 N VAL A 16 7.001 -15.379 1.737 1.00 13.58 N +ATOM 115 CA VAL A 16 8.111 -15.897 2.554 1.00 18.01 C +ATOM 116 CB VAL A 16 9.469 -15.710 1.841 1.00 16.91 C +ATOM 117 CG1 VAL A 16 10.617 -15.998 2.774 1.00 20.52 C +ATOM 118 CG2 VAL A 16 9.575 -16.654 0.663 1.00 15.20 C +ATOM 119 C VAL A 16 8.111 -15.248 3.958 1.00 12.72 C +ATOM 120 O VAL A 16 8.273 -15.931 4.954 1.00 10.60 O +ATOM 121 N VAL A 17 7.948 -13.922 4.011 1.00 11.76 N +ATOM 122 CA VAL A 17 7.915 -13.240 5.273 1.00 11.25 C +ATOM 123 CB VAL A 17 7.929 -11.725 5.129 1.00 11.66 C +ATOM 124 CG1 VAL A 17 7.750 -11.058 6.519 1.00 11.72 C +ATOM 125 CG2 VAL A 17 9.242 -11.270 4.502 1.00 13.31 C +ATOM 126 C VAL A 17 6.709 -13.707 6.134 1.00 10.41 C +ATOM 127 O VAL A 17 6.846 -13.932 7.317 1.00 7.15 O +ATOM 128 N PHE A 18 5.552 -13.895 5.494 1.00 9.81 N +ATOM 129 CA PHE A 18 4.355 -14.343 6.184 1.00 8.70 C +ATOM 130 CB PHE A 18 3.183 -14.357 5.189 1.00 9.07 C +ATOM 131 CG PHE A 18 1.836 -14.539 5.846 1.00 9.17 C +ATOM 132 CD1 PHE A 18 1.292 -13.526 6.641 1.00 9.97 C +ATOM 133 CE1 PHE A 18 0.050 -13.682 7.240 1.00 11.77 C +ATOM 134 CZ PHE A 18 -0.650 -14.855 7.073 1.00 11.90 C +ATOM 135 CE2 PHE A 18 -0.112 -15.857 6.275 1.00 12.88 C +ATOM 136 CD2 PHE A 18 1.136 -15.680 5.672 1.00 9.87 C +ATOM 137 C PHE A 18 4.559 -15.717 6.823 1.00 8.93 C +ATOM 138 O PHE A 18 4.107 -15.983 7.939 1.00 9.10 O +ATOM 139 N ILE A 19 5.217 -16.619 6.084 1.00 8.90 N +ATOM 140 CA ILE A 19 5.550 -17.930 6.568 1.00 8.28 C +ATOM 141 CB ILE A 19 6.223 -18.757 5.471 1.00 9.07 C +ATOM 142 CG1 ILE A 19 5.187 -19.135 4.413 1.00 8.90 C +ATOM 143 CD1 ILE A 19 5.765 -19.916 3.247 1.00 10.23 C +ATOM 144 CG2 ILE A 19 6.813 -20.032 6.054 1.00 9.09 C +ATOM 145 C ILE A 19 6.470 -17.849 7.798 1.00 8.37 C +ATOM 146 O ILE A 19 6.231 -18.509 8.837 1.00 7.02 O +ATOM 147 N ALA A 20 7.513 -17.028 7.684 1.00 8.61 N +ATOM 148 CA ALA A 20 8.432 -16.810 8.774 1.00 8.46 C +ATOM 149 CB ALA A 20 9.467 -15.783 8.378 1.00 6.88 C +ATOM 150 C ALA A 20 7.650 -16.318 10.018 1.00 9.83 C +ATOM 151 O ALA A 20 7.963 -16.711 11.162 1.00 10.17 O +ATOM 152 N MET A 21 6.677 -15.418 9.792 1.00 8.36 N +ATOM 153 CA MET A 21 5.888 -14.871 10.850 1.00 7.84 C +ATOM 154 CB MET A 21 5.012 -13.720 10.331 1.00 10.18 C +ATOM 155 CG MET A 21 5.780 -12.506 9.877 1.00 9.75 C +ATOM 156 SD MET A 21 4.777 -11.171 9.188 1.00 11.62 S +ATOM 157 CE MET A 21 4.078 -10.554 10.729 1.00 11.65 C +ATOM 158 C MET A 21 5.051 -15.976 11.499 1.00 8.45 C +ATOM 159 O MET A 21 4.850 -15.973 12.718 1.00 9.99 O +ATOM 160 N GLN A 22 4.566 -16.947 10.712 1.00 8.76 N +ATOM 161 CA GLN A 22 3.745 -18.051 11.317 1.00 8.75 C +ATOM 162 CB GLN A 22 2.940 -18.877 10.288 1.00 8.72 C +ATOM 163 CG GLN A 22 2.070 -18.090 9.297 1.00 13.04 C +ATOM 164 CD GLN A 22 1.348 -16.883 9.917 1.00 12.79 C +ATOM 165 OE1 GLN A 22 0.496 -17.060 10.781 1.00 11.44 O +ATOM 166 NE2 GLN A 22 1.706 -15.659 9.486 1.00 13.13 N +ATOM 167 C GLN A 22 4.589 -19.021 12.166 1.00 8.93 C +ATOM 168 O GLN A 22 4.105 -19.588 13.112 1.00 9.72 O +ATOM 169 N ILE A 23 5.844 -19.236 11.781 1.00 8.82 N +ATOM 170 CA ILE A 23 6.734 -20.152 12.466 1.00 8.84 C +ATOM 171 CB ILE A 23 7.936 -20.510 11.549 1.00 10.62 C +ATOM 172 CG1 ILE A 23 7.459 -21.282 10.296 1.00 13.09 C +ATOM 173 CD1 ILE A 23 8.508 -21.326 9.193 1.00 14.05 C +ATOM 174 CG2 ILE A 23 8.989 -21.314 12.303 1.00 8.45 C +ATOM 175 C ILE A 23 7.280 -19.494 13.726 1.00 8.69 C +ATOM 176 O ILE A 23 7.221 -20.035 14.808 1.00 8.45 O +ATOM 177 N LEU A 24 7.841 -18.297 13.553 1.00 9.04 N +ATOM 178 CA LEU A 24 8.564 -17.574 14.594 1.00 9.19 C +ATOM 179 CB LEU A 24 9.608 -16.721 13.907 1.00 9.90 C +ATOM 180 CG LEU A 24 10.724 -17.425 13.129 1.00 12.76 C +ATOM 181 CD1 LEU A 24 11.690 -16.393 12.533 1.00 13.73 C +ATOM 182 CD2 LEU A 24 11.454 -18.422 14.041 1.00 13.72 C +ATOM 183 C LEU A 24 7.662 -16.656 15.472 1.00 10.54 C +ATOM 184 O LEU A 24 8.074 -16.223 16.572 1.00 10.70 O +ATOM 185 N GLY A 25 6.453 -16.346 14.964 1.00 9.22 N +ATOM 186 CA GLY A 25 5.563 -15.389 15.584 1.00 8.44 C +ATOM 187 C GLY A 25 5.842 -14.021 14.985 1.00 7.11 C +ATOM 188 O GLY A 25 6.942 -13.709 14.529 1.00 8.08 O +ATOM 189 N ASP A 26 4.802 -13.199 14.925 1.00 7.41 N +ATOM 190 CA ASP A 26 4.900 -11.838 14.384 1.00 8.57 C +ATOM 191 CB ASP A 26 3.570 -11.128 14.569 1.00 8.77 C +ATOM 192 CG ASP A 26 2.444 -11.727 13.705 1.00 11.15 C +ATOM 193 OD1 ASP A 26 2.686 -12.697 12.906 1.00 9.80 O +ATOM 194 OD2 ASP A 26 1.299 -11.239 13.885 1.00 13.47 O +ATOM 195 C ASP A 26 5.988 -10.956 15.012 1.00 8.19 C +ATOM 196 O ASP A 26 6.706 -10.244 14.315 1.00 7.73 O +ATOM 197 N GLN A 27 6.111 -11.015 16.340 1.00 9.65 N +ATOM 199 CA GLN A 27 6.940 -10.036 17.039 1.00 10.93 C +ATOM 201 CB GLN A 27 6.501 -9.771 18.511 1.00 12.23 C +ATOM 203 CG GLN A 27 5.764 -10.839 19.335 1.00 14.65 C +ATOM 205 CD GLN A 27 4.541 -11.494 18.684 1.00 13.37 C +ATOM 207 OE1 GLN A 27 4.552 -12.679 18.439 1.00 10.98 O +ATOM 209 NE2 GLN A 27 3.492 -10.722 18.421 1.00 18.13 N +ATOM 211 C GLN A 27 8.460 -10.315 16.844 1.00 10.39 C +ATOM 213 O GLN A 27 9.263 -9.389 16.819 1.00 8.26 O +ATOM 215 N GLU A 28 8.829 -11.590 16.666 1.00 9.56 N +ATOM 216 CA GLU A 28 10.211 -11.966 16.298 1.00 8.86 C +ATOM 217 CB GLU A 28 10.381 -13.475 16.305 1.00 10.52 C +ATOM 218 CG GLU A 28 11.766 -13.960 15.918 1.00 12.28 C +ATOM 219 CD GLU A 28 12.852 -13.433 16.818 1.00 13.68 C +ATOM 220 OE1 GLU A 28 12.616 -13.198 18.015 1.00 16.22 O +ATOM 221 OE2 GLU A 28 13.956 -13.257 16.321 1.00 18.20 O +ATOM 222 C GLU A 28 10.566 -11.438 14.920 1.00 7.50 C +ATOM 223 O GLU A 28 11.670 -11.000 14.716 1.00 6.97 O +ATOM 224 N VAL A 29 9.616 -11.456 13.983 1.00 7.10 N +ATOM 225 CA VAL A 29 9.851 -10.923 12.656 1.00 7.74 C +ATOM 226 CB VAL A 29 8.935 -11.499 11.550 1.00 7.94 C +ATOM 227 CG1 VAL A 29 9.297 -10.911 10.170 1.00 8.07 C +ATOM 228 CG2 VAL A 29 9.087 -13.023 11.462 1.00 8.53 C +ATOM 229 C VAL A 29 9.863 -9.386 12.651 1.00 9.26 C +ATOM 230 O VAL A 29 10.736 -8.785 12.020 1.00 11.33 O +ATOM 231 N MET A 30 8.916 -8.745 13.335 1.00 10.79 N +ATOM 232 CA MET A 30 9.002 -7.285 13.602 1.00 11.74 C +ATOM 233 CB MET A 30 7.965 -6.847 14.636 1.00 14.27 C +ATOM 234 CG MET A 30 6.454 -7.042 14.259 1.00 15.81 C +ATOM 235 SD MET A 30 5.759 -5.475 13.767 1.00 33.08 S +ATOM 236 CE MET A 30 6.422 -5.527 12.153 1.00 20.74 C +ATOM 237 C MET A 30 10.415 -6.873 14.100 1.00 14.59 C +ATOM 238 O MET A 30 11.004 -5.866 13.613 1.00 12.77 O +ATOM 239 N LEU A 31 10.988 -7.652 15.031 1.00 14.76 N +ATOM 240 CA LEU A 31 12.340 -7.351 15.545 1.00 15.82 C +ATOM 241 CB LEU A 31 12.920 -8.461 16.378 1.00 17.44 C +ATOM 242 CG LEU A 31 12.516 -8.633 17.815 1.00 16.70 C +ATOM 243 CD1 LEU A 31 13.621 -9.475 18.428 1.00 17.12 C +ATOM 244 CD2 LEU A 31 12.359 -7.321 18.561 1.00 21.43 C +ATOM 245 C LEU A 31 13.358 -7.116 14.454 1.00 14.45 C +ATOM 246 O LEU A 31 14.235 -6.260 14.582 1.00 13.84 O +ATOM 247 N TRP A 32 13.259 -7.892 13.383 1.00 12.40 N +ATOM 248 CA TRP A 32 14.203 -7.792 12.276 1.00 14.56 C +ATOM 249 CB TRP A 32 14.434 -9.176 11.620 1.00 18.78 C +ATOM 250 CG TRP A 32 15.451 -9.974 12.412 1.00 32.68 C +ATOM 251 CD1 TRP A 32 15.274 -10.508 13.660 1.00 39.08 C +ATOM 252 NE1 TRP A 32 16.426 -11.118 14.084 1.00 42.94 N +ATOM 253 CE2 TRP A 32 17.385 -10.985 13.116 1.00 50.90 C +ATOM 254 CD2 TRP A 32 16.811 -10.252 12.049 1.00 45.18 C +ATOM 255 CE3 TRP A 32 17.596 -9.978 10.915 1.00 57.47 C +ATOM 256 CZ3 TRP A 32 18.917 -10.447 10.884 1.00 57.42 C +ATOM 257 CH2 TRP A 32 19.457 -11.179 11.966 1.00 59.65 C +ATOM 258 CZ2 TRP A 32 18.714 -11.454 13.084 1.00 59.24 C +ATOM 259 C TRP A 32 13.815 -6.765 11.247 1.00 14.53 C +ATOM 260 O TRP A 32 14.680 -6.084 10.714 1.00 15.15 O +ATOM 261 N LEU A 33 12.513 -6.675 10.940 1.00 14.48 N +ATOM 262 CA LEU A 33 12.064 -5.938 9.748 1.00 13.03 C +ATOM 263 CB LEU A 33 11.233 -6.839 8.878 1.00 11.82 C +ATOM 264 CG LEU A 33 11.918 -8.085 8.317 1.00 15.06 C +ATOM 265 CD1 LEU A 33 10.910 -8.843 7.468 1.00 16.02 C +ATOM 266 CD2 LEU A 33 13.127 -7.730 7.481 1.00 17.26 C +ATOM 267 C LEU A 33 11.276 -4.671 10.013 1.00 12.50 C +ATOM 268 O LEU A 33 10.924 -3.983 9.080 1.00 14.24 O +ATOM 269 N ALA A 34 10.907 -4.411 11.268 1.00 11.25 N +ATOM 270 CA ALA A 34 10.056 -3.268 11.565 1.00 14.07 C +ATOM 271 CB ALA A 34 9.465 -3.347 12.957 1.00 12.90 C +ATOM 272 C ALA A 34 10.862 -1.975 11.403 1.00 10.89 C +ATOM 273 O ALA A 34 12.082 -1.978 11.519 1.00 9.58 O +ATOM 274 N TRP A 35 10.155 -0.894 11.107 1.00 9.03 N +ATOM 275 CA TRP A 35 10.693 0.459 11.269 1.00 10.73 C +ATOM 276 CB TRP A 35 9.517 1.447 11.271 1.00 8.48 C +ATOM 277 CG TRP A 35 9.951 2.906 11.133 1.00 8.22 C +ATOM 278 CD1 TRP A 35 10.377 3.717 12.133 1.00 7.83 C +ATOM 279 NE1 TRP A 35 10.627 4.940 11.653 1.00 7.62 N +ATOM 280 CE2 TRP A 35 10.422 4.945 10.299 1.00 7.64 C +ATOM 281 CD2 TRP A 35 9.966 3.686 9.948 1.00 7.37 C +ATOM 282 CE3 TRP A 35 9.655 3.426 8.599 1.00 9.38 C +ATOM 283 CZ3 TRP A 35 9.803 4.467 7.656 1.00 7.84 C +ATOM 284 CH2 TRP A 35 10.228 5.727 8.058 1.00 8.57 C +ATOM 285 CZ2 TRP A 35 10.565 5.987 9.363 1.00 7.63 C +ATOM 286 C TRP A 35 11.472 0.587 12.576 1.00 11.27 C +ATOM 287 O TRP A 35 11.038 0.080 13.600 1.00 9.35 O +ATOM 288 N PRO A 36 12.628 1.291 12.620 1.00 12.00 N +ATOM 289 CA PRO A 36 13.446 1.307 13.833 1.00 11.46 C +ATOM 290 CB PRO A 36 14.520 2.316 13.518 1.00 11.66 C +ATOM 291 CG PRO A 36 14.580 2.343 12.032 1.00 13.54 C +ATOM 292 CD PRO A 36 13.221 2.063 11.521 1.00 13.31 C +ATOM 293 C PRO A 36 12.639 1.725 15.032 1.00 11.59 C +ATOM 294 O PRO A 36 12.040 2.788 15.039 1.00 10.46 O +ATOM 295 N PHE A 37 12.626 0.871 16.052 1.00 13.56 N +ATOM 296 CA PHE A 37 11.836 1.126 17.250 1.00 14.55 C +ATOM 297 CB PHE A 37 10.941 -0.084 17.593 1.00 13.96 C +ATOM 298 CG PHE A 37 11.636 -1.397 17.472 1.00 11.55 C +ATOM 299 CD2 PHE A 37 11.578 -2.116 16.305 1.00 12.09 C +ATOM 300 CE2 PHE A 37 12.272 -3.319 16.173 1.00 11.27 C +ATOM 301 CZ PHE A 37 12.975 -3.813 17.234 1.00 11.14 C +ATOM 302 CE1 PHE A 37 13.028 -3.099 18.418 1.00 11.63 C +ATOM 303 CD1 PHE A 37 12.377 -1.895 18.524 1.00 12.46 C +ATOM 304 C PHE A 37 12.759 1.473 18.386 1.00 13.37 C +ATOM 305 O PHE A 37 12.326 1.700 19.484 1.00 14.81 O +ATOM 306 N ASP A 38 14.050 1.555 18.090 1.00 17.05 N +ATOM 307 CA ASP A 38 15.075 1.966 19.047 1.00 19.15 C +ATOM 308 CB ASP A 38 15.753 0.725 19.607 1.00 20.34 C +ATOM 309 CG ASP A 38 16.511 1.013 20.870 1.00 30.28 C +ATOM 310 OD1 ASP A 38 15.878 1.536 21.804 1.00 44.07 O +ATOM 311 OD2 ASP A 38 17.729 0.749 20.929 1.00 34.29 O +ATOM 312 C ASP A 38 16.106 2.796 18.288 1.00 15.90 C +ATOM 313 O ASP A 38 16.407 2.470 17.139 1.00 16.79 O +ATOM 314 N PRO A 39 16.724 3.840 18.902 1.00 20.32 N +ATOM 315 CA PRO A 39 17.755 4.632 18.212 1.00 16.16 C +ATOM 316 CB PRO A 39 18.289 5.574 19.296 1.00 15.98 C +ATOM 317 CG PRO A 39 17.285 5.541 20.392 1.00 18.68 C +ATOM 318 CD PRO A 39 16.470 4.299 20.284 1.00 17.52 C +ATOM 319 C PRO A 39 18.913 3.812 17.685 1.00 16.16 C +ATOM 320 O PRO A 39 19.464 4.130 16.633 1.00 21.77 O +ATOM 321 N THR A 40 19.277 2.747 18.400 1.00 11.59 N +ATOM 322 CA THR A 40 20.337 1.894 17.952 1.00 10.55 C +ATOM 323 CB THR A 40 20.678 0.863 19.016 1.00 11.60 C +ATOM 324 OG1 THR A 40 19.525 0.076 19.264 1.00 18.55 O +ATOM 325 CG2 THR A 40 21.073 1.510 20.322 1.00 10.47 C +ATOM 326 C THR A 40 20.045 1.181 16.610 1.00 12.17 C +ATOM 327 O THR A 40 20.951 0.584 16.037 1.00 13.12 O +ATOM 328 N LEU A 41 18.793 1.226 16.124 1.00 10.51 N +ATOM 329 CA LEU A 41 18.410 0.542 14.885 1.00 11.95 C +ATOM 330 CB LEU A 41 17.076 -0.220 15.056 1.00 14.91 C +ATOM 331 CG LEU A 41 16.985 -1.150 16.320 1.00 17.34 C +ATOM 332 CD1 LEU A 41 15.662 -1.884 16.460 1.00 16.53 C +ATOM 333 CD2 LEU A 41 18.115 -2.167 16.355 1.00 15.46 C +ATOM 334 C LEU A 41 18.334 1.506 13.702 1.00 12.84 C +ATOM 335 O LEU A 41 18.028 1.106 12.575 1.00 11.38 O +ATOM 336 N LYS A 42 18.624 2.785 13.974 1.00 12.67 N +ATOM 337 CA LYS A 42 18.436 3.848 13.020 1.00 13.81 C +ATOM 338 CB LYS A 42 18.725 5.194 13.687 1.00 16.24 C +ATOM 339 CG LYS A 42 20.195 5.447 14.037 1.00 22.83 C +ATOM 340 CD LYS A 42 20.368 6.570 15.079 1.00 21.04 C +ATOM 341 CE LYS A 42 21.608 6.371 15.947 1.00 23.94 C +ATOM 342 NZ LYS A 42 21.438 7.011 17.296 1.00 32.66 N +ATOM 343 C LYS A 42 19.286 3.625 11.767 1.00 15.51 C +ATOM 344 O LYS A 42 18.872 4.015 10.666 1.00 11.66 O +ATOM 345 N PHE A 43 20.439 2.952 11.920 1.00 17.22 N +ATOM 346 CA PHE A 43 21.320 2.687 10.773 1.00 20.93 C +ATOM 347 CB PHE A 43 22.763 2.671 11.248 1.00 22.33 C +ATOM 348 CG PHE A 43 23.177 3.928 11.981 1.00 20.58 C +ATOM 349 CD1 PHE A 43 23.282 5.137 11.302 1.00 20.68 C +ATOM 350 CE1 PHE A 43 23.679 6.297 11.951 1.00 24.15 C +ATOM 351 CZ PHE A 43 23.978 6.261 13.308 1.00 26.39 C +ATOM 352 CE2 PHE A 43 23.890 5.053 14.002 1.00 32.87 C +ATOM 353 CD2 PHE A 43 23.478 3.896 13.339 1.00 28.63 C +ATOM 354 C PHE A 43 20.990 1.453 9.900 1.00 27.18 C +ATOM 355 O PHE A 43 21.536 1.304 8.793 1.00 25.90 O +ATOM 356 N GLU A 44 20.043 0.629 10.371 1.00 22.49 N +ATOM 357 CA GLU A 44 19.617 -0.593 9.693 1.00 15.89 C +ATOM 358 CB GLU A 44 19.066 -1.573 10.729 1.00 15.72 C +ATOM 359 CG GLU A 44 20.165 -2.043 11.669 1.00 15.25 C +ATOM 360 CD GLU A 44 19.742 -3.024 12.766 1.00 21.01 C +ATOM 361 OE1 GLU A 44 18.583 -3.480 12.858 1.00 16.50 O +ATOM 362 OE2 GLU A 44 20.606 -3.345 13.608 1.00 23.93 O +ATOM 363 C GLU A 44 18.622 -0.203 8.593 1.00 16.81 C +ATOM 364 O GLU A 44 17.382 -0.282 8.770 1.00 11.81 O +ATOM 365 N PHE A 45 19.206 0.157 7.436 1.00 16.82 N +ATOM 367 CA PHE A 45 18.570 0.869 6.312 1.00 19.36 C +ATOM 369 CB PHE A 45 19.582 1.149 5.139 1.00 23.18 C +ATOM 371 CG PHE A 45 20.205 -0.102 4.507 1.00 30.12 C +ATOM 373 CD1 PHE A 45 21.340 -0.697 5.058 1.00 31.35 C +ATOM 375 CE1 PHE A 45 21.905 -1.826 4.480 1.00 34.10 C +ATOM 377 CZ PHE A 45 21.352 -2.371 3.340 1.00 29.11 C +ATOM 379 CE2 PHE A 45 20.233 -1.793 2.775 1.00 29.48 C +ATOM 381 CD2 PHE A 45 19.669 -0.662 3.344 1.00 33.40 C +ATOM 383 C PHE A 45 17.312 0.220 5.776 1.00 15.69 C +ATOM 385 O PHE A 45 16.362 0.906 5.386 1.00 15.15 O +ATOM 387 N TRP A 46 17.327 -1.115 5.744 1.00 15.30 N +ATOM 388 CA TRP A 46 16.226 -1.916 5.213 1.00 12.11 C +ATOM 389 CB TRP A 46 16.585 -3.395 5.262 1.00 11.86 C +ATOM 390 CG TRP A 46 16.706 -3.977 6.632 1.00 11.95 C +ATOM 391 CD1 TRP A 46 15.700 -4.501 7.370 1.00 14.46 C +ATOM 392 NE1 TRP A 46 16.181 -4.948 8.579 1.00 13.21 N +ATOM 393 CE2 TRP A 46 17.534 -4.764 8.610 1.00 12.73 C +ATOM 394 CD2 TRP A 46 17.902 -4.165 7.399 1.00 14.22 C +ATOM 395 CE3 TRP A 46 19.264 -3.880 7.175 1.00 19.55 C +ATOM 396 CZ3 TRP A 46 20.180 -4.174 8.181 1.00 16.83 C +ATOM 397 CH2 TRP A 46 19.770 -4.778 9.377 1.00 19.93 C +ATOM 398 CZ2 TRP A 46 18.463 -5.086 9.609 1.00 16.01 C +ATOM 399 C TRP A 46 14.900 -1.642 5.951 1.00 11.22 C +ATOM 400 O TRP A 46 13.861 -1.682 5.350 1.00 12.05 O +ATOM 401 N ARG A 47 14.965 -1.396 7.266 1.00 12.46 N +ATOM 402 CA ARG A 47 13.774 -1.164 8.099 1.00 12.68 C +ATOM 403 CB ARG A 47 14.194 -0.786 9.507 1.00 11.77 C +ATOM 404 CG ARG A 47 14.911 -1.928 10.172 1.00 11.77 C +ATOM 405 CD ARG A 47 15.319 -1.563 11.557 1.00 12.31 C +ATOM 406 NE ARG A 47 15.974 -2.658 12.242 1.00 14.80 N +ATOM 407 CZ ARG A 47 15.357 -3.634 12.920 1.00 17.44 C +ATOM 408 NH1 ARG A 47 14.035 -3.662 13.061 1.00 16.23 N +ATOM 409 NH2 ARG A 47 16.073 -4.568 13.527 1.00 14.30 N +ATOM 410 C ARG A 47 12.815 -0.086 7.561 1.00 12.29 C +ATOM 411 O ARG A 47 11.619 -0.118 7.850 1.00 9.14 O +ATOM 412 N TYR A 48 13.341 0.875 6.789 1.00 10.04 N +ATOM 413 CA TYR A 48 12.532 2.001 6.346 1.00 10.43 C +ATOM 414 CB TYR A 48 13.444 3.213 5.947 1.00 10.84 C +ATOM 415 CG TYR A 48 14.271 3.731 7.112 1.00 7.71 C +ATOM 416 CD1 TYR A 48 13.672 4.447 8.140 1.00 7.71 C +ATOM 417 CE1 TYR A 48 14.388 4.928 9.213 1.00 6.25 C +ATOM 418 CZ TYR A 48 15.733 4.700 9.279 1.00 6.42 C +ATOM 419 OH TYR A 48 16.448 5.206 10.368 1.00 6.77 O +ATOM 420 CE2 TYR A 48 16.368 4.015 8.271 1.00 6.94 C +ATOM 421 CD2 TYR A 48 15.643 3.532 7.192 1.00 8.10 C +ATOM 422 C TYR A 48 11.623 1.554 5.229 1.00 10.47 C +ATOM 423 O TYR A 48 10.666 2.255 4.873 1.00 9.93 O +ATOM 424 N PHE A 49 11.894 0.347 4.727 1.00 10.22 N +ATOM 425 CA PHE A 49 11.133 -0.307 3.652 1.00 13.54 C +ATOM 426 CB PHE A 49 12.058 -0.518 2.431 1.00 13.65 C +ATOM 427 CG PHE A 49 12.758 0.767 2.010 1.00 10.24 C +ATOM 428 CD1 PHE A 49 12.159 1.640 1.118 1.00 11.08 C +ATOM 429 CE1 PHE A 49 12.756 2.834 0.766 1.00 9.94 C +ATOM 430 CZ PHE A 49 13.976 3.144 1.321 1.00 10.35 C +ATOM 431 CE2 PHE A 49 14.558 2.290 2.234 1.00 10.99 C +ATOM 432 CD2 PHE A 49 13.944 1.114 2.566 1.00 9.51 C +ATOM 433 C PHE A 49 10.460 -1.645 4.032 1.00 11.86 C +ATOM 434 O PHE A 49 9.340 -1.921 3.611 1.00 11.51 O +ATOM 435 N THR A 50 11.132 -2.451 4.844 1.00 12.55 N +ATOM 436 CA THR A 50 10.707 -3.814 5.030 1.00 14.45 C +ATOM 437 CB THR A 50 11.825 -4.680 5.558 1.00 15.19 C +ATOM 438 OG1 THR A 50 12.319 -4.098 6.755 1.00 14.97 O +ATOM 439 CG2 THR A 50 12.942 -4.879 4.475 1.00 15.23 C +ATOM 440 C THR A 50 9.473 -3.994 5.960 1.00 14.00 C +ATOM 441 O THR A 50 8.894 -5.070 5.978 1.00 13.59 O +ATOM 442 N HIS A 51 9.049 -2.926 6.660 1.00 12.10 N +ATOM 443 CA HIS A 51 7.741 -2.870 7.304 1.00 11.62 C +ATOM 444 CB HIS A 51 7.503 -1.499 7.945 1.00 13.56 C +ATOM 445 CG HIS A 51 7.516 -0.368 6.955 1.00 12.87 C +ATOM 446 ND1 HIS A 51 6.423 -0.057 6.173 1.00 8.49 N +ATOM 447 CE1 HIS A 51 6.749 0.938 5.360 1.00 12.06 C +ATOM 448 NE2 HIS A 51 8.019 1.271 5.576 1.00 12.69 N +ATOM 449 CD2 HIS A 51 8.525 0.452 6.555 1.00 9.97 C +ATOM 450 C HIS A 51 6.588 -3.247 6.294 1.00 12.16 C +ATOM 451 O HIS A 51 5.570 -3.902 6.655 1.00 11.44 O +ATOM 452 N ALA A 52 6.782 -2.919 5.019 1.00 10.69 N +ATOM 453 CA ALA A 52 5.792 -3.223 3.989 1.00 11.23 C +ATOM 454 CB ALA A 52 6.049 -2.408 2.733 1.00 13.23 C +ATOM 455 C ALA A 52 5.590 -4.711 3.614 1.00 9.35 C +ATOM 456 O ALA A 52 4.542 -5.062 3.039 1.00 9.41 O +ATOM 457 N LEU A 53 6.530 -5.556 4.027 1.00 9.87 N +ATOM 458 CA LEU A 53 6.584 -7.005 3.691 1.00 12.33 C +ATOM 459 CB LEU A 53 8.029 -7.469 3.544 1.00 11.52 C +ATOM 460 CG LEU A 53 8.815 -6.756 2.425 1.00 16.11 C +ATOM 461 CD1 LEU A 53 10.206 -7.346 2.332 1.00 15.54 C +ATOM 462 CD2 LEU A 53 8.135 -6.871 1.057 1.00 16.40 C +ATOM 463 C LEU A 53 5.915 -7.918 4.709 1.00 13.74 C +ATOM 464 O LEU A 53 5.792 -9.102 4.463 1.00 16.46 O +ATOM 465 N MET A 54 5.497 -7.349 5.856 1.00 14.40 N +ATOM 466 CA MET A 54 4.914 -8.106 6.965 1.00 10.98 C +ATOM 467 CB MET A 54 5.437 -7.525 8.261 1.00 10.55 C +ATOM 468 CG MET A 54 6.839 -7.943 8.554 1.00 13.54 C +ATOM 469 SD MET A 54 7.443 -7.391 10.149 1.00 10.40 S +ATOM 470 CE MET A 54 7.634 -5.644 9.710 1.00 9.03 C +ATOM 471 C MET A 54 3.382 -7.947 6.949 1.00 12.18 C +ATOM 472 O MET A 54 2.854 -6.847 6.781 1.00 12.58 O +ATOM 473 N HIS A 55 2.668 -9.064 7.109 1.00 12.28 N +ATOM 474 CA HIS A 55 1.256 -9.041 7.309 1.00 11.39 C +ATOM 475 CB HIS A 55 0.538 -9.571 6.076 1.00 11.48 C +ATOM 476 CG HIS A 55 0.787 -8.754 4.864 1.00 12.61 C +ATOM 477 ND1 HIS A 55 1.855 -8.986 4.013 1.00 13.59 N +ATOM 478 CE1 HIS A 55 1.833 -8.099 3.042 1.00 14.30 C +ATOM 479 NE2 HIS A 55 0.812 -7.281 3.240 1.00 12.53 N +ATOM 480 CD2 HIS A 55 0.141 -7.670 4.377 1.00 14.17 C +ATOM 481 C HIS A 55 0.834 -9.788 8.561 1.00 11.45 C +ATOM 482 O HIS A 55 1.401 -10.777 8.903 1.00 13.10 O +ATOM 483 N PHE A 56 -0.224 -9.297 9.210 1.00 10.11 N +ATOM 484 CA PHE A 56 -0.708 -9.848 10.483 1.00 9.89 C +ATOM 485 CB PHE A 56 -0.999 -8.701 11.447 1.00 10.76 C +ATOM 486 CG PHE A 56 0.164 -7.779 11.599 1.00 13.55 C +ATOM 487 CD1 PHE A 56 1.377 -8.268 12.126 1.00 14.41 C +ATOM 488 CE1 PHE A 56 2.493 -7.438 12.246 1.00 21.55 C +ATOM 489 CZ PHE A 56 2.408 -6.109 11.847 1.00 23.29 C +ATOM 490 CE2 PHE A 56 1.195 -5.602 11.370 1.00 17.99 C +ATOM 491 CD2 PHE A 56 0.083 -6.449 11.227 1.00 17.37 C +ATOM 492 C PHE A 56 -1.894 -10.724 10.375 1.00 8.06 C +ATOM 493 O PHE A 56 -2.246 -11.366 11.323 1.00 11.21 O +ATOM 494 N SER A 57 -2.507 -10.765 9.200 1.00 9.25 N +ATOM 495 CA SER A 57 -3.646 -11.583 8.952 1.00 12.25 C +ATOM 496 CB SER A 57 -4.947 -10.821 9.283 1.00 12.81 C +ATOM 497 OG SER A 57 -5.330 -9.985 8.200 1.00 15.25 O +ATOM 498 C SER A 57 -3.659 -12.067 7.484 1.00 12.91 C +ATOM 499 O SER A 57 -3.205 -11.383 6.572 1.00 14.35 O +ATOM 500 N LEU A 58 -4.218 -13.266 7.314 1.00 10.97 N +ATOM 501 CA LEU A 58 -4.436 -13.941 6.075 1.00 11.43 C +ATOM 502 CB LEU A 58 -5.152 -15.256 6.423 1.00 12.33 C +ATOM 503 CG LEU A 58 -5.598 -16.085 5.253 1.00 12.79 C +ATOM 504 CD1 LEU A 58 -4.380 -16.285 4.358 1.00 11.89 C +ATOM 505 CD2 LEU A 58 -6.178 -17.413 5.754 1.00 14.25 C +ATOM 506 C LEU A 58 -5.301 -13.124 5.124 1.00 13.71 C +ATOM 507 O LEU A 58 -5.033 -13.006 3.920 1.00 11.94 O +ATOM 508 N MET A 59 -6.369 -12.552 5.676 1.00 16.33 N +ATOM 509 CA MET A 59 -7.305 -11.765 4.882 1.00 18.57 C +ATOM 510 CB MET A 59 -8.519 -11.436 5.762 1.00 23.05 C +ATOM 511 CG MET A 59 -9.215 -10.126 5.500 1.00 26.57 C +ATOM 513 SD MET A 59 -11.002 -10.362 5.579 1.00 22.79 S +ATOM 515 CE MET A 59 -11.423 -8.660 5.222 1.00 24.88 C +ATOM 517 C MET A 59 -6.557 -10.573 4.229 1.00 17.18 C +ATOM 518 O MET A 59 -6.688 -10.366 3.023 1.00 14.21 O +ATOM 519 N HIS A 60 -5.693 -9.893 5.001 1.00 14.12 N +ATOM 520 CA HIS A 60 -4.972 -8.718 4.531 1.00 16.07 C +ATOM 521 CB HIS A 60 -4.506 -7.899 5.717 1.00 22.58 C +ATOM 522 CG HIS A 60 -5.632 -7.186 6.398 1.00 33.20 C +ATOM 523 ND1 HIS A 60 -5.453 -6.300 7.440 1.00 45.90 N +ATOM 524 CE1 HIS A 60 -6.631 -5.829 7.812 1.00 78.09 C +ATOM 525 NE2 HIS A 60 -7.566 -6.370 7.046 1.00 53.30 N +ATOM 526 CD2 HIS A 60 -6.962 -7.208 6.148 1.00 50.39 C +ATOM 527 C HIS A 60 -3.841 -9.015 3.534 1.00 12.01 C +ATOM 528 O HIS A 60 -3.699 -8.288 2.535 1.00 10.26 O +ATOM 529 N ILE A 61 -3.088 -10.101 3.754 1.00 8.67 N +ATOM 530 CA ILE A 61 -2.111 -10.497 2.775 1.00 8.62 C +ATOM 531 CB ILE A 61 -1.108 -11.538 3.265 1.00 7.58 C +ATOM 532 CG1 ILE A 61 0.064 -11.626 2.259 1.00 8.87 C +ATOM 533 CD1 ILE A 61 1.179 -12.565 2.674 1.00 7.23 C +ATOM 534 CG2 ILE A 61 -1.735 -12.887 3.483 1.00 8.93 C +ATOM 535 C ILE A 61 -2.778 -10.808 1.444 1.00 8.60 C +ATOM 536 O ILE A 61 -2.316 -10.386 0.394 1.00 8.64 O +ATOM 537 N LEU A 62 -3.911 -11.487 1.485 1.00 12.67 N +ATOM 538 CA LEU A 62 -4.603 -11.906 0.267 1.00 13.90 C +ATOM 539 CB LEU A 62 -5.698 -12.922 0.562 1.00 18.30 C +ATOM 540 CG LEU A 62 -5.184 -14.344 0.883 1.00 22.68 C +ATOM 541 CD1 LEU A 62 -6.268 -15.192 1.563 1.00 23.25 C +ATOM 542 CD2 LEU A 62 -4.690 -15.046 -0.375 1.00 22.18 C +ATOM 543 C LEU A 62 -5.144 -10.728 -0.497 1.00 10.78 C +ATOM 544 O LEU A 62 -4.907 -10.608 -1.679 1.00 8.81 O +ATOM 545 N PHE A 63 -5.841 -9.823 0.185 1.00 12.10 N +ATOM 546 CA PHE A 63 -6.357 -8.625 -0.498 1.00 11.47 C +ATOM 547 CB PHE A 63 -7.397 -7.870 0.338 1.00 13.80 C +ATOM 548 CG PHE A 63 -8.746 -8.516 0.254 1.00 23.84 C +ATOM 549 CD1 PHE A 63 -9.469 -8.460 -0.948 1.00 33.75 C +ATOM 550 CE1 PHE A 63 -10.684 -9.109 -1.090 1.00 29.98 C +ATOM 551 CZ PHE A 63 -11.181 -9.847 -0.042 1.00 27.25 C +ATOM 552 CE2 PHE A 63 -10.476 -9.935 1.137 1.00 23.24 C +ATOM 553 CD2 PHE A 63 -9.248 -9.286 1.287 1.00 23.06 C +ATOM 554 C PHE A 63 -5.230 -7.714 -0.990 1.00 9.46 C +ATOM 555 O PHE A 63 -5.304 -7.255 -2.120 1.00 9.63 O +ATOM 556 N ASN A 64 -4.225 -7.449 -0.141 1.00 8.67 N +ATOM 557 CA ASN A 64 -3.080 -6.580 -0.475 1.00 9.14 C +ATOM 558 CB ASN A 64 -2.055 -6.409 0.697 1.00 11.48 C +ATOM 559 CG ASN A 64 -2.584 -5.575 1.875 1.00 11.60 C +ATOM 560 OD1 ASN A 64 -2.003 -5.460 3.037 1.00 17.42 O +ATOM 561 ND2 ASN A 64 -3.717 -4.987 1.591 1.00 12.68 N +ATOM 562 C ASN A 64 -2.411 -7.174 -1.748 1.00 8.26 C +ATOM 563 O ASN A 64 -2.131 -6.479 -2.711 1.00 10.86 O +ATOM 564 N LEU A 65 -2.199 -8.486 -1.777 1.00 8.25 N +ATOM 565 CA LEU A 65 -1.493 -9.070 -2.897 1.00 7.48 C +ATOM 566 CB LEU A 65 -0.838 -10.390 -2.558 1.00 6.64 C +ATOM 567 CG LEU A 65 0.387 -10.370 -1.652 1.00 6.96 C +ATOM 568 CD1 LEU A 65 1.036 -11.728 -1.532 1.00 6.37 C +ATOM 569 CD2 LEU A 65 1.484 -9.440 -2.081 1.00 8.07 C +ATOM 570 C LEU A 65 -2.321 -9.122 -4.143 1.00 8.20 C +ATOM 571 O LEU A 65 -1.753 -9.100 -5.238 1.00 10.57 O +ATOM 572 N LEU A 66 -3.648 -9.213 -3.991 1.00 9.34 N +ATOM 573 CA LEU A 66 -4.563 -9.251 -5.117 1.00 11.79 C +ATOM 574 CB LEU A 66 -6.010 -9.475 -4.619 1.00 16.80 C +ATOM 575 CG LEU A 66 -7.058 -9.497 -5.758 1.00 26.77 C +ATOM 576 CD1 LEU A 66 -6.866 -10.710 -6.679 1.00 25.49 C +ATOM 577 CD2 LEU A 66 -8.503 -9.386 -5.233 1.00 27.68 C +ATOM 578 C LEU A 66 -4.473 -7.920 -5.865 1.00 10.64 C +ATOM 579 O LEU A 66 -4.302 -7.881 -7.097 1.00 15.70 O +ATOM 580 N TRP A 67 -4.608 -6.837 -5.103 1.00 9.19 N +ATOM 581 CA TRP A 67 -4.509 -5.468 -5.590 1.00 11.28 C +ATOM 582 CB TRP A 67 -4.807 -4.477 -4.453 1.00 13.34 C +ATOM 583 CG TRP A 67 -6.264 -4.259 -4.169 1.00 19.06 C +ATOM 584 CD1 TRP A 67 -6.917 -4.477 -2.979 1.00 22.33 C +ATOM 585 NE1 TRP A 67 -8.222 -4.101 -3.076 1.00 19.58 N +ATOM 586 CE2 TRP A 67 -8.463 -3.640 -4.344 1.00 18.03 C +ATOM 587 CD2 TRP A 67 -7.233 -3.702 -5.060 1.00 17.86 C +ATOM 588 CE3 TRP A 67 -7.177 -3.231 -6.375 1.00 14.96 C +ATOM 589 CZ3 TRP A 67 -8.323 -2.750 -6.950 1.00 19.37 C +ATOM 590 CH2 TRP A 67 -9.563 -2.701 -6.203 1.00 21.11 C +ATOM 591 CZ2 TRP A 67 -9.637 -3.134 -4.905 1.00 14.32 C +ATOM 592 C TRP A 67 -3.137 -5.134 -6.157 1.00 8.88 C +ATOM 593 O TRP A 67 -3.056 -4.532 -7.203 1.00 8.19 O +ATOM 594 N TRP A 68 -2.074 -5.500 -5.420 1.00 10.01 N +ATOM 595 CA TRP A 68 -0.684 -5.395 -5.889 1.00 10.75 C +ATOM 596 CB TRP A 68 0.308 -5.932 -4.838 1.00 12.22 C +ATOM 597 CG TRP A 68 1.683 -6.181 -5.418 1.00 10.28 C +ATOM 598 CD1 TRP A 68 2.161 -7.363 -5.927 1.00 10.20 C +ATOM 599 NE1 TRP A 68 3.425 -7.199 -6.385 1.00 12.09 N +ATOM 600 CE2 TRP A 68 3.803 -5.902 -6.209 1.00 10.02 C +ATOM 601 CD2 TRP A 68 2.717 -5.234 -5.573 1.00 9.02 C +ATOM 602 CE3 TRP A 68 2.839 -3.878 -5.256 1.00 9.05 C +ATOM 603 CZ3 TRP A 68 4.069 -3.220 -5.554 1.00 10.67 C +ATOM 604 CH2 TRP A 68 5.151 -3.934 -6.171 1.00 10.46 C +ATOM 605 CZ2 TRP A 68 5.024 -5.261 -6.526 1.00 10.72 C +ATOM 606 C TRP A 68 -0.505 -6.141 -7.224 1.00 12.58 C +ATOM 607 O TRP A 68 0.033 -5.577 -8.190 1.00 12.72 O +ATOM 608 N TRP A 69 -1.001 -7.382 -7.298 1.00 9.65 N +ATOM 609 CA TRP A 69 -0.869 -8.150 -8.513 1.00 11.78 C +ATOM 610 CB TRP A 69 -1.414 -9.583 -8.302 1.00 14.65 C +ATOM 611 CG TRP A 69 -1.372 -10.553 -9.508 1.00 18.59 C +ATOM 612 CD1 TRP A 69 -0.330 -10.770 -10.354 1.00 24.42 C +ATOM 613 NE1 TRP A 69 -0.657 -11.711 -11.296 1.00 20.97 N +ATOM 614 CE2 TRP A 69 -1.933 -12.124 -11.076 1.00 26.76 C +ATOM 615 CD2 TRP A 69 -2.415 -11.416 -9.947 1.00 26.95 C +ATOM 616 CE3 TRP A 69 -3.704 -11.705 -9.468 1.00 44.22 C +ATOM 617 CZ3 TRP A 69 -4.471 -12.682 -10.143 1.00 53.68 C +ATOM 618 CH2 TRP A 69 -3.955 -13.355 -11.273 1.00 49.15 C +ATOM 619 CZ2 TRP A 69 -2.692 -13.093 -11.744 1.00 36.39 C +ATOM 620 C TRP A 69 -1.570 -7.446 -9.699 1.00 10.65 C +ATOM 621 O TRP A 69 -1.030 -7.378 -10.803 1.00 7.41 O +ATOM 622 N TYR A 70 -2.786 -6.954 -9.458 1.00 9.26 N +ATOM 623 CA TYR A 70 -3.540 -6.270 -10.506 1.00 10.38 C +ATOM 624 CB TYR A 70 -5.022 -6.132 -10.117 1.00 11.80 C +ATOM 625 CG TYR A 70 -5.914 -5.689 -11.251 1.00 14.20 C +ATOM 626 CD1 TYR A 70 -6.257 -6.553 -12.287 1.00 18.79 C +ATOM 627 CE1 TYR A 70 -7.064 -6.131 -13.348 1.00 19.00 C +ATOM 628 CZ TYR A 70 -7.509 -4.815 -13.380 1.00 21.71 C +ATOM 629 OH TYR A 70 -8.329 -4.339 -14.391 1.00 30.85 O +ATOM 630 CE2 TYR A 70 -7.159 -3.943 -12.372 1.00 22.83 C +ATOM 631 CD2 TYR A 70 -6.373 -4.386 -11.313 1.00 19.10 C +ATOM 632 C TYR A 70 -2.980 -4.895 -10.900 1.00 8.62 C +ATOM 633 O TYR A 70 -2.765 -4.616 -12.073 1.00 8.15 O +ATOM 634 N LEU A 71 -2.780 -4.013 -9.924 1.00 8.22 N +ATOM 635 CA LEU A 71 -2.413 -2.653 -10.235 1.00 8.75 C +ATOM 636 CB LEU A 71 -2.797 -1.705 -9.122 1.00 10.19 C +ATOM 637 CG LEU A 71 -4.264 -1.587 -8.739 1.00 10.00 C +ATOM 638 CD1 LEU A 71 -4.382 -0.631 -7.601 1.00 10.46 C +ATOM 639 CD2 LEU A 71 -5.086 -1.042 -9.889 1.00 13.03 C +ATOM 640 C LEU A 71 -0.921 -2.582 -10.456 1.00 9.72 C +ATOM 641 O LEU A 71 -0.467 -2.045 -11.473 1.00 10.90 O +ATOM 642 N GLY A 72 -0.167 -3.153 -9.507 1.00 10.28 N +ATOM 643 CA GLY A 72 1.261 -3.414 -9.673 1.00 10.65 C +ATOM 644 C GLY A 72 1.555 -3.968 -11.044 1.00 9.77 C +ATOM 645 O GLY A 72 2.327 -3.414 -11.753 1.00 10.46 O +ATOM 646 N GLY A 73 0.899 -5.063 -11.424 1.00 10.80 N +ATOM 647 CA GLY A 73 1.183 -5.747 -12.682 1.00 9.84 C +ATOM 648 C GLY A 73 0.863 -4.909 -13.921 1.00 9.93 C +ATOM 649 O GLY A 73 1.577 -4.934 -14.938 1.00 9.02 O +ATOM 650 N ALA A 74 -0.223 -4.141 -13.839 1.00 10.45 N +ATOM 651 CA ALA A 74 -0.575 -3.209 -14.906 1.00 10.89 C +ATOM 652 CB ALA A 74 -1.916 -2.541 -14.594 1.00 10.75 C +ATOM 653 C ALA A 74 0.552 -2.153 -15.061 1.00 8.90 C +ATOM 654 O ALA A 74 1.084 -1.951 -16.130 1.00 9.49 O +ATOM 655 N VAL A 75 0.937 -1.525 -13.955 1.00 8.02 N +ATOM 656 CA VAL A 75 1.968 -0.521 -14.014 1.00 9.54 C +ATOM 657 CB VAL A 75 2.252 0.101 -12.645 1.00 8.90 C +ATOM 658 CG1 VAL A 75 3.484 1.001 -12.706 1.00 10.78 C +ATOM 659 CG2 VAL A 75 1.047 0.905 -12.207 1.00 8.31 C +ATOM 660 C VAL A 75 3.241 -1.045 -14.673 1.00 8.80 C +ATOM 661 O VAL A 75 3.751 -0.428 -15.568 1.00 10.62 O +ATOM 662 N GLU A 76 3.756 -2.172 -14.204 1.00 9.32 N +ATOM 663 CA GLU A 76 4.966 -2.780 -14.764 1.00 11.38 C +ATOM 664 CB GLU A 76 5.337 -4.079 -14.036 1.00 13.00 C +ATOM 665 CG GLU A 76 6.632 -4.773 -14.469 1.00 11.01 C +ATOM 666 CD GLU A 76 7.185 -5.644 -13.353 1.00 12.62 C +ATOM 667 OE1 GLU A 76 6.415 -6.173 -12.504 1.00 12.49 O +ATOM 668 OE2 GLU A 76 8.416 -5.805 -13.303 1.00 16.29 O +ATOM 669 C GLU A 76 4.819 -3.061 -16.229 1.00 13.17 C +ATOM 670 O GLU A 76 5.722 -2.745 -17.009 1.00 14.71 O +ATOM 671 N LYS A 77 3.690 -3.654 -16.619 1.00 13.53 N +ATOM 672 CA LYS A 77 3.480 -4.008 -18.008 1.00 16.95 C +ATOM 673 CB LYS A 77 2.196 -4.841 -18.189 1.00 24.89 C +ATOM 674 CG LYS A 77 2.086 -5.643 -19.492 1.00 29.96 C +ATOM 675 CD LYS A 77 3.211 -6.686 -19.720 1.00 48.81 C +ATOM 676 CE LYS A 77 3.499 -7.653 -18.543 1.00 51.17 C +ATOM 677 NZ LYS A 77 4.758 -7.393 -17.739 1.00 41.66 N +ATOM 678 C LYS A 77 3.437 -2.774 -18.907 1.00 13.69 C +ATOM 679 O LYS A 77 4.030 -2.773 -19.957 1.00 11.09 O +ATOM 680 N ARG A 78 2.723 -1.724 -18.505 1.00 13.15 N +ATOM 681 CA ARG A 78 2.514 -0.619 -19.436 1.00 17.21 C +ATOM 682 CB ARG A 78 1.118 -0.004 -19.323 1.00 26.03 C +ATOM 683 CG ARG A 78 -0.024 -0.962 -18.987 1.00 42.52 C +ATOM 684 CD ARG A 78 -0.719 -1.698 -20.137 1.00 53.37 C +ATOM 685 NE ARG A 78 -1.293 -2.982 -19.645 1.00 85.31 N +ATOM 686 CZ ARG A 78 -2.354 -3.129 -18.825 1.00 75.86 C +ATOM 687 NH1 ARG A 78 -3.043 -2.079 -18.373 1.00 81.51 N +ATOM 688 NH2 ARG A 78 -2.735 -4.351 -18.441 1.00 57.06 N +ATOM 689 C ARG A 78 3.598 0.461 -19.350 1.00 12.62 C +ATOM 690 O ARG A 78 3.911 1.074 -20.358 1.00 12.21 O +ATOM 691 N LEU A 79 4.149 0.681 -18.148 1.00 10.41 N +ATOM 692 CA LEU A 79 5.096 1.764 -17.836 1.00 8.22 C +ATOM 693 CB LEU A 79 4.569 2.617 -16.657 1.00 8.17 C +ATOM 694 CG LEU A 79 3.120 3.071 -16.820 1.00 8.98 C +ATOM 695 CD1 LEU A 79 2.574 3.988 -15.717 1.00 8.36 C +ATOM 696 CD2 LEU A 79 3.013 3.776 -18.170 1.00 9.32 C +ATOM 697 C LEU A 79 6.501 1.265 -17.501 1.00 6.91 C +ATOM 698 O LEU A 79 7.452 2.044 -17.471 1.00 8.56 O +ATOM 699 N GLY A 80 6.649 -0.029 -17.226 1.00 5.95 N +ATOM 700 CA GLY A 80 7.936 -0.594 -16.899 1.00 5.85 C +ATOM 701 C GLY A 80 8.149 -0.945 -15.420 1.00 6.74 C +ATOM 702 O GLY A 80 7.558 -0.357 -14.517 1.00 6.31 O +ATOM 703 N SER A 81 9.084 -1.876 -15.218 1.00 6.52 N +ATOM 704 CA SER A 81 9.610 -2.278 -13.960 1.00 7.29 C +ATOM 705 CB SER A 81 10.738 -3.281 -14.214 1.00 6.49 C +ATOM 706 OG SER A 81 10.175 -4.509 -14.616 1.00 7.34 O +ATOM 707 C SER A 81 10.106 -1.141 -13.084 1.00 7.07 C +ATOM 708 O SER A 81 9.786 -1.094 -11.849 1.00 7.73 O +ATOM 709 N GLY A 82 10.856 -0.221 -13.693 1.00 6.35 N +ATOM 710 CA GLY A 82 11.415 0.917 -12.984 1.00 6.26 C +ATOM 711 C GLY A 82 10.372 1.795 -12.292 1.00 6.75 C +ATOM 712 O GLY A 82 10.554 2.254 -11.157 1.00 7.96 O +ATOM 713 N LYS A 83 9.278 2.055 -13.004 1.00 6.78 N +ATOM 714 CA LYS A 83 8.226 2.884 -12.535 1.00 7.45 C +ATOM 715 CB LYS A 83 7.191 3.021 -13.651 1.00 10.15 C +ATOM 716 CG LYS A 83 5.988 3.878 -13.250 1.00 13.46 C +ATOM 717 CD LYS A 83 6.355 5.312 -12.950 1.00 15.35 C +ATOM 718 CE LYS A 83 6.635 6.065 -14.247 1.00 13.83 C +ATOM 719 NZ LYS A 83 6.858 7.468 -13.855 1.00 17.70 N +ATOM 720 C LYS A 83 7.602 2.218 -11.293 1.00 7.49 C +ATOM 721 O LYS A 83 7.356 2.866 -10.289 1.00 6.49 O +ATOM 722 N LEU A 84 7.378 0.901 -11.364 1.00 7.56 N +ATOM 723 CA LEU A 84 6.795 0.167 -10.239 1.00 8.80 C +ATOM 724 CB LEU A 84 6.500 -1.289 -10.587 1.00 8.75 C +ATOM 725 CG LEU A 84 5.770 -2.089 -9.484 1.00 9.25 C +ATOM 726 CD1 LEU A 84 4.553 -1.357 -8.968 1.00 11.42 C +ATOM 727 CD2 LEU A 84 5.368 -3.475 -9.988 1.00 8.81 C +ATOM 728 C LEU A 84 7.734 0.212 -9.052 1.00 9.07 C +ATOM 729 O LEU A 84 7.288 0.418 -7.942 1.00 7.30 O +ATOM 730 N ILE A 85 9.040 0.020 -9.313 1.00 8.25 N +ATOM 731 CA ILE A 85 10.052 0.154 -8.261 1.00 8.61 C +ATOM 732 CB ILE A 85 11.462 -0.097 -8.811 1.00 9.61 C +ATOM 733 CG1 ILE A 85 11.626 -1.598 -9.095 1.00 10.88 C +ATOM 734 CD1 ILE A 85 12.807 -1.920 -9.997 1.00 13.48 C +ATOM 735 CG2 ILE A 85 12.559 0.372 -7.830 1.00 9.42 C +ATOM 736 C ILE A 85 9.995 1.480 -7.489 1.00 7.41 C +ATOM 737 O ILE A 85 9.971 1.471 -6.252 1.00 8.94 O +ATOM 738 N VAL A 86 9.961 2.605 -8.208 1.00 6.37 N +ATOM 739 CA VAL A 86 10.009 3.909 -7.558 1.00 6.19 C +ATOM 740 CB VAL A 86 10.276 5.038 -8.597 1.00 5.97 C +ATOM 742 CG1 VAL A 86 10.617 6.361 -7.906 1.00 5.42 C +ATOM 744 CG2 VAL A 86 11.345 4.617 -9.595 1.00 5.92 C +ATOM 746 C VAL A 86 8.719 4.231 -6.824 1.00 7.25 C +ATOM 747 O VAL A 86 8.755 4.711 -5.708 1.00 7.60 O +ATOM 748 N ILE A 87 7.568 3.959 -7.452 1.00 8.21 N +ATOM 749 CA ILE A 87 6.301 4.050 -6.723 1.00 9.69 C +ATOM 750 CB ILE A 87 5.153 3.547 -7.559 1.00 10.87 C +ATOM 751 CG1 ILE A 87 4.917 4.503 -8.700 1.00 10.95 C +ATOM 752 CD1 ILE A 87 3.870 3.984 -9.679 1.00 11.24 C +ATOM 753 CG2 ILE A 87 3.886 3.410 -6.707 1.00 14.74 C +ATOM 754 C ILE A 87 6.347 3.286 -5.395 1.00 8.23 C +ATOM 755 O ILE A 87 6.035 3.790 -4.315 1.00 8.72 O +ATOM 756 N THR A 88 6.822 2.059 -5.482 1.00 10.12 N +ATOM 757 CA THR A 88 6.922 1.186 -4.321 1.00 9.66 C +ATOM 758 CB THR A 88 7.357 -0.224 -4.730 1.00 8.86 C +ATOM 759 OG1 THR A 88 6.422 -0.762 -5.652 1.00 8.21 O +ATOM 760 CG2 THR A 88 7.452 -1.156 -3.491 1.00 9.41 C +ATOM 761 C THR A 88 7.886 1.747 -3.275 1.00 10.56 C +ATOM 762 O THR A 88 7.535 1.757 -2.122 1.00 9.67 O +ATOM 763 N LEU A 89 9.103 2.178 -3.682 1.00 9.79 N +ATOM 764 CA LEU A 89 10.076 2.716 -2.711 1.00 9.43 C +ATOM 765 CB LEU A 89 11.431 3.055 -3.334 1.00 10.49 C +ATOM 766 CG LEU A 89 12.201 1.847 -3.879 1.00 13.29 C +ATOM 767 CD1 LEU A 89 13.495 2.314 -4.517 1.00 12.80 C +ATOM 768 CD2 LEU A 89 12.478 0.780 -2.813 1.00 15.37 C +ATOM 769 C LEU A 89 9.571 3.945 -1.995 1.00 10.23 C +ATOM 770 O LEU A 89 9.786 4.104 -0.784 1.00 16.46 O +ATOM 771 N ILE A 90 8.956 4.853 -2.758 1.00 9.43 N +ATOM 772 CA ILE A 90 8.586 6.157 -2.274 1.00 10.41 C +ATOM 773 CB ILE A 90 8.273 7.139 -3.453 1.00 10.97 C +ATOM 774 CG1 ILE A 90 9.542 7.497 -4.241 1.00 10.17 C +ATOM 775 CD1 ILE A 90 9.295 8.447 -5.431 1.00 11.35 C +ATOM 776 CG2 ILE A 90 7.712 8.439 -2.883 1.00 13.93 C +ATOM 777 C ILE A 90 7.365 5.962 -1.377 1.00 10.30 C +ATOM 778 O ILE A 90 7.276 6.526 -0.309 1.00 11.27 O +ATOM 779 N SER A 91 6.402 5.187 -1.852 1.00 9.52 N +ATOM 780 CA SER A 91 5.208 4.935 -1.044 1.00 14.52 C +ATOM 781 CB SER A 91 4.110 4.212 -1.827 1.00 13.25 C +ATOM 782 OG SER A 91 4.491 2.930 -2.196 1.00 12.23 O +ATOM 783 C SER A 91 5.547 4.204 0.290 1.00 10.37 C +ATOM 784 O SER A 91 5.039 4.591 1.340 1.00 9.69 O +ATOM 785 N ALA A 92 6.430 3.205 0.228 1.00 9.09 N +ATOM 786 CA ALA A 92 6.840 2.475 1.432 1.00 9.92 C +ATOM 787 CB ALA A 92 7.735 1.288 1.123 1.00 9.81 C +ATOM 788 C ALA A 92 7.502 3.372 2.431 1.00 9.21 C +ATOM 789 O ALA A 92 7.243 3.299 3.607 1.00 11.95 O +ATOM 790 N LEU A 93 8.399 4.234 1.958 1.00 12.58 N +ATOM 791 CA LEU A 93 9.170 5.085 2.841 1.00 11.15 C +ATOM 792 CB LEU A 93 10.253 5.742 2.020 1.00 13.97 C +ATOM 793 CG LEU A 93 11.255 6.538 2.751 1.00 15.28 C +ATOM 794 CD1 LEU A 93 12.007 5.714 3.787 1.00 14.89 C +ATOM 795 CD2 LEU A 93 12.182 7.127 1.678 1.00 18.93 C +ATOM 796 C LEU A 93 8.297 6.157 3.469 1.00 9.22 C +ATOM 797 O LEU A 93 8.377 6.406 4.685 1.00 9.53 O +ATOM 798 N LEU A 94 7.495 6.824 2.628 1.00 8.54 N +ATOM 799 CA LEU A 94 6.707 7.958 3.091 1.00 10.77 C +ATOM 800 CB LEU A 94 6.173 8.810 1.927 1.00 9.48 C +ATOM 802 CG LEU A 94 7.132 9.898 1.446 1.00 8.72 C +ATOM 804 CD1 LEU A 94 8.345 9.321 0.768 1.00 8.52 C +ATOM 806 CD2 LEU A 94 6.449 10.832 0.477 1.00 9.47 C +ATOM 808 C LEU A 94 5.571 7.467 3.996 1.00 10.87 C +ATOM 809 O LEU A 94 5.290 8.079 5.050 1.00 14.49 O +ATOM 810 N SER A 95 4.954 6.337 3.622 1.00 9.20 N +ATOM 811 CA SER A 95 3.843 5.829 4.401 1.00 9.77 C +ATOM 812 CB SER A 95 3.111 4.724 3.641 1.00 11.24 C +ATOM 813 OG SER A 95 3.912 3.569 3.503 1.00 10.77 O +ATOM 814 C SER A 95 4.321 5.391 5.758 1.00 10.28 C +ATOM 815 O SER A 95 3.698 5.677 6.778 1.00 11.54 O +ATOM 816 N GLY A 96 5.503 4.771 5.800 1.00 9.63 N +ATOM 817 CA GLY A 96 6.095 4.361 7.071 1.00 9.09 C +ATOM 818 C GLY A 96 6.446 5.548 7.947 1.00 10.87 C +ATOM 819 O GLY A 96 6.265 5.519 9.192 1.00 9.44 O +ATOM 820 N TYR A 97 7.016 6.591 7.325 1.00 10.40 N +ATOM 821 CA TYR A 97 7.429 7.741 8.084 1.00 10.22 C +ATOM 822 CB TYR A 97 8.167 8.772 7.209 1.00 9.26 C +ATOM 823 CG TYR A 97 8.054 10.160 7.699 1.00 11.80 C +ATOM 824 CD1 TYR A 97 8.759 10.611 8.792 1.00 13.53 C +ATOM 825 CE1 TYR A 97 8.588 11.892 9.267 1.00 15.13 C +ATOM 826 CZ TYR A 97 7.723 12.736 8.640 1.00 17.92 C +ATOM 827 OH TYR A 97 7.527 14.074 9.012 1.00 35.59 O +ATOM 828 CE2 TYR A 97 7.029 12.314 7.551 1.00 20.60 C +ATOM 829 CD2 TYR A 97 7.176 11.028 7.098 1.00 15.19 C +ATOM 830 C TYR A 97 6.207 8.365 8.764 1.00 10.61 C +ATOM 831 O TYR A 97 6.279 8.743 9.932 1.00 9.19 O +ATOM 832 N VAL A 98 5.116 8.534 7.998 1.00 10.24 N +ATOM 833 CA VAL A 98 3.931 9.200 8.509 1.00 11.42 C +ATOM 834 CB VAL A 98 2.959 9.508 7.364 1.00 13.55 C +ATOM 835 CG1 VAL A 98 1.630 10.007 7.929 1.00 13.24 C +ATOM 836 CG2 VAL A 98 3.566 10.569 6.426 1.00 13.47 C +ATOM 837 C VAL A 98 3.227 8.362 9.576 1.00 9.87 C +ATOM 838 O VAL A 98 2.778 8.887 10.587 1.00 8.32 O +ATOM 839 N GLN A 99 3.113 7.057 9.316 1.00 9.03 N +ATOM 840 CA GLN A 99 2.569 6.129 10.276 1.00 10.14 C +ATOM 841 CB GLN A 99 2.586 4.711 9.767 1.00 9.94 C +ATOM 842 CG GLN A 99 1.851 3.725 10.713 1.00 12.42 C +ATOM 843 CD GLN A 99 0.413 4.112 11.016 1.00 12.41 C +ATOM 844 OE1 GLN A 99 -0.287 4.645 10.151 1.00 10.66 O +ATOM 845 NE2 GLN A 99 -0.015 3.918 12.278 1.00 13.91 N +ATOM 846 C GLN A 99 3.281 6.186 11.594 1.00 10.64 C +ATOM 847 O GLN A 99 2.622 6.243 12.666 1.00 13.44 O +ATOM 848 N GLN A 100 4.618 6.153 11.562 1.00 11.43 N +ATOM 849 CA GLN A 100 5.358 6.124 12.827 1.00 10.79 C +ATOM 850 CB GLN A 100 6.797 5.657 12.707 1.00 15.29 C +ATOM 851 CG GLN A 100 7.753 6.506 11.875 1.00 15.18 C +ATOM 852 CD GLN A 100 8.272 7.746 12.567 1.00 20.02 C +ATOM 853 OE1 GLN A 100 8.501 7.721 13.799 1.00 17.98 O +ATOM 854 NE2 GLN A 100 8.372 8.906 11.784 1.00 13.46 N +ATOM 855 C GLN A 100 5.259 7.443 13.552 1.00 11.18 C +ATOM 856 O GLN A 100 5.189 7.459 14.771 1.00 10.28 O +ATOM 857 N LYS A 101 5.190 8.553 12.807 1.00 12.05 N +ATOM 858 CA LYS A 101 5.031 9.873 13.424 1.00 15.91 C +ATOM 859 CB LYS A 101 4.981 10.975 12.367 1.00 19.62 C +ATOM 860 CG LYS A 101 4.988 12.386 12.914 1.00 25.54 C +ATOM 861 CD LYS A 101 6.120 12.644 13.905 1.00 36.13 C +ATOM 862 CE LYS A 101 7.499 12.193 13.422 1.00 47.35 C +ATOM 863 NZ LYS A 101 8.499 12.404 14.515 1.00 53.61 N +ATOM 864 C LYS A 101 3.754 9.975 14.282 1.00 14.76 C +ATOM 865 O LYS A 101 3.794 10.557 15.316 1.00 12.05 O +ATOM 866 N PHE A 102 2.632 9.439 13.796 1.00 17.64 N +ATOM 867 CA PHE A 102 1.340 9.565 14.477 1.00 22.08 C +ATOM 868 CB PHE A 102 0.148 9.354 13.541 1.00 32.43 C +ATOM 869 CG PHE A 102 -0.050 10.422 12.493 1.00 49.16 C +ATOM 870 CD1 PHE A 102 0.611 11.648 12.537 1.00 57.17 C +ATOM 871 CE1 PHE A 102 0.380 12.612 11.555 1.00 64.20 C +ATOM 872 CZ PHE A 102 -0.535 12.368 10.533 1.00 70.11 C +ATOM 873 CE2 PHE A 102 -1.219 11.161 10.484 1.00 66.22 C +ATOM 874 CD2 PHE A 102 -0.979 10.198 11.458 1.00 70.03 C +ATOM 875 C PHE A 102 1.176 8.532 15.569 1.00 15.16 C +ATOM 876 O PHE A 102 0.634 8.844 16.586 1.00 18.94 O +ATOM 877 N SER A 103 1.654 7.309 15.330 1.00 13.90 N +ATOM 878 CA SER A 103 1.315 6.144 16.135 1.00 11.20 C +ATOM 879 CB SER A 103 0.337 5.332 15.294 1.00 11.98 C +ATOM 880 OG SER A 103 -0.769 6.158 15.067 1.00 11.27 O +ATOM 881 C SER A 103 2.443 5.200 16.547 1.00 11.46 C +ATOM 882 O SER A 103 2.187 4.151 17.118 1.00 9.51 O +ATOM 883 N GLY A 104 3.687 5.523 16.176 1.00 10.24 N +ATOM 884 CA GLY A 104 4.832 4.717 16.553 1.00 9.26 C +ATOM 885 C GLY A 104 5.183 3.600 15.574 1.00 9.97 C +ATOM 886 O GLY A 104 4.581 3.426 14.517 1.00 7.26 O +ATOM 887 N PRO A 105 6.245 2.837 15.894 1.00 7.88 N +ATOM 888 CA PRO A 105 6.893 1.975 14.910 1.00 8.48 C +ATOM 889 CB PRO A 105 8.278 1.853 15.527 1.00 8.22 C +ATOM 890 CG PRO A 105 7.991 1.863 17.020 1.00 6.83 C +ATOM 891 CD PRO A 105 6.945 2.907 17.178 1.00 6.35 C +ATOM 892 C PRO A 105 6.270 0.549 14.653 1.00 10.05 C +ATOM 893 O PRO A 105 6.781 -0.221 13.835 1.00 10.01 O +ATOM 894 N TRP A 106 5.212 0.207 15.388 1.00 11.69 N +ATOM 895 CA TRP A 106 4.683 -1.163 15.429 1.00 11.54 C +ATOM 896 CB TRP A 106 4.198 -1.503 16.838 1.00 12.46 C +ATOM 897 CG TRP A 106 5.283 -1.363 17.794 1.00 12.18 C +ATOM 898 CD1 TRP A 106 5.432 -0.375 18.707 1.00 10.82 C +ATOM 899 NE1 TRP A 106 6.583 -0.576 19.437 1.00 11.60 N +ATOM 900 CE2 TRP A 106 7.248 -1.663 18.928 1.00 11.11 C +ATOM 901 CD2 TRP A 106 6.445 -2.191 17.891 1.00 13.14 C +ATOM 902 CE3 TRP A 106 6.886 -3.323 17.214 1.00 17.26 C +ATOM 903 CZ3 TRP A 106 8.128 -3.883 17.587 1.00 14.76 C +ATOM 904 CH2 TRP A 106 8.883 -3.334 18.635 1.00 11.76 C +ATOM 905 CZ2 TRP A 106 8.463 -2.225 19.298 1.00 10.23 C +ATOM 906 C TRP A 106 3.568 -1.294 14.451 1.00 10.94 C +ATOM 907 O TRP A 106 2.377 -1.399 14.832 1.00 10.11 O +ATOM 908 N PHE A 107 3.953 -1.253 13.172 1.00 11.04 N +ATOM 909 CA PHE A 107 3.036 -1.371 12.064 1.00 10.70 C +ATOM 910 CB PHE A 107 2.685 0.028 11.552 1.00 13.62 C +ATOM 911 CG PHE A 107 3.828 0.751 10.923 1.00 12.43 C +ATOM 912 CD1 PHE A 107 4.694 1.473 11.696 1.00 14.88 C +ATOM 913 CE1 PHE A 107 5.754 2.149 11.138 1.00 15.39 C +ATOM 914 CZ PHE A 107 5.967 2.072 9.789 1.00 15.58 C +ATOM 915 CE2 PHE A 107 5.099 1.359 8.987 1.00 12.75 C +ATOM 916 CD2 PHE A 107 4.036 0.686 9.563 1.00 14.16 C +ATOM 917 C PHE A 107 3.677 -2.206 10.985 1.00 12.33 C +ATOM 918 O PHE A 107 4.894 -2.447 10.990 1.00 12.46 O +ATOM 919 N GLY A 108 2.854 -2.671 10.045 1.00 9.93 N +ATOM 920 CA GLY A 108 3.360 -3.397 8.913 1.00 8.76 C +ATOM 921 C GLY A 108 2.290 -3.577 7.884 1.00 9.73 C +ATOM 922 O GLY A 108 1.119 -3.372 8.147 1.00 9.84 O +ATOM 923 N GLY A 109 2.702 -3.994 6.695 1.00 10.32 N +ATOM 924 CA GLY A 109 1.759 -4.293 5.649 1.00 10.57 C +ATOM 925 C GLY A 109 1.992 -3.517 4.370 1.00 11.70 C +ATOM 926 O GLY A 109 2.476 -2.377 4.387 1.00 11.87 O +ATOM 927 N LEU A 110 1.579 -4.133 3.265 1.00 11.04 N +ATOM 928 CA LEU A 110 1.649 -3.570 1.934 1.00 14.57 C +ATOM 929 CB LEU A 110 1.690 -4.735 0.913 1.00 11.87 C +ATOM 930 CG LEU A 110 2.211 -4.359 -0.471 1.00 12.86 C +ATOM 931 CD1 LEU A 110 3.683 -3.908 -0.357 1.00 12.16 C +ATOM 932 CD2 LEU A 110 2.062 -5.592 -1.365 1.00 12.82 C +ATOM 933 C LEU A 110 0.578 -2.498 1.537 1.00 11.01 C +ATOM 934 O LEU A 110 0.643 -1.896 0.491 1.00 14.43 O +ATOM 935 N SER A 111 -0.388 -2.233 2.398 1.00 13.29 N +ATOM 936 CA SER A 111 -1.473 -1.337 2.056 1.00 10.12 C +ATOM 937 CB SER A 111 -2.582 -1.383 3.120 1.00 10.55 C +ATOM 938 OG SER A 111 -2.152 -0.894 4.402 1.00 11.02 O +ATOM 939 C SER A 111 -1.077 0.111 1.794 1.00 12.43 C +ATOM 940 O SER A 111 -1.816 0.818 1.094 1.00 13.91 O +ATOM 941 N GLY A 112 0.060 0.563 2.342 1.00 12.21 N +ATOM 942 CA GLY A 112 0.558 1.902 2.041 1.00 12.07 C +ATOM 943 C GLY A 112 0.835 1.962 0.556 1.00 11.14 C +ATOM 944 O GLY A 112 0.418 2.902 -0.174 1.00 9.44 O +ATOM 945 N VAL A 113 1.540 0.924 0.096 1.00 10.51 N +ATOM 946 CA VAL A 113 1.903 0.739 -1.310 1.00 10.87 C +ATOM 947 CB VAL A 113 2.892 -0.431 -1.499 1.00 8.83 C +ATOM 948 CG1 VAL A 113 3.148 -0.642 -2.959 1.00 13.82 C +ATOM 949 CG2 VAL A 113 4.209 -0.171 -0.800 1.00 9.67 C +ATOM 950 C VAL A 113 0.659 0.516 -2.161 1.00 9.75 C +ATOM 951 O VAL A 113 0.524 1.047 -3.201 1.00 10.43 O +ATOM 952 N VAL A 114 -0.262 -0.311 -1.683 1.00 10.82 N +ATOM 953 CA VAL A 114 -1.478 -0.548 -2.407 1.00 10.51 C +ATOM 954 CB VAL A 114 -2.323 -1.627 -1.738 1.00 9.83 C +ATOM 955 CG1 VAL A 114 -3.701 -1.669 -2.334 1.00 8.18 C +ATOM 956 CG2 VAL A 114 -1.642 -2.958 -1.924 1.00 11.97 C +ATOM 957 C VAL A 114 -2.274 0.733 -2.602 1.00 10.52 C +ATOM 958 O VAL A 114 -2.800 0.950 -3.716 1.00 8.61 O +ATOM 959 N TYR A 115 -2.370 1.562 -1.545 1.00 11.27 N +ATOM 960 CA TYR A 115 -3.100 2.840 -1.628 1.00 12.70 C +ATOM 961 CB TYR A 115 -3.245 3.589 -0.279 1.00 13.31 C +ATOM 962 CG TYR A 115 -4.429 3.139 0.609 1.00 16.02 C +ATOM 963 CD1 TYR A 115 -4.694 1.802 0.820 1.00 14.22 C +ATOM 964 CE1 TYR A 115 -5.720 1.388 1.614 1.00 13.42 C +ATOM 965 CZ TYR A 115 -6.507 2.309 2.268 1.00 17.17 C +ATOM 966 OH TYR A 115 -7.530 1.842 3.089 1.00 14.11 O +ATOM 967 CE2 TYR A 115 -6.272 3.666 2.094 1.00 15.96 C +ATOM 968 CD2 TYR A 115 -5.240 4.072 1.267 1.00 18.31 C +ATOM 969 C TYR A 115 -2.456 3.765 -2.681 1.00 13.25 C +ATOM 970 O TYR A 115 -3.168 4.421 -3.422 1.00 12.92 O +ATOM 971 N ALA A 116 -1.114 3.815 -2.718 1.00 11.18 N +ATOM 972 CA ALA A 116 -0.371 4.592 -3.727 1.00 10.79 C +ATOM 973 CB ALA A 116 1.118 4.457 -3.464 1.00 11.53 C +ATOM 974 C ALA A 116 -0.724 4.110 -5.152 1.00 12.39 C +ATOM 975 O ALA A 116 -1.013 4.907 -6.040 1.00 9.32 O +ATOM 976 N LEU A 117 -0.798 2.786 -5.336 1.00 11.10 N +ATOM 977 CA LEU A 117 -1.115 2.238 -6.659 1.00 12.43 C +ATOM 978 CB LEU A 117 -0.934 0.708 -6.672 1.00 9.99 C +ATOM 979 CG LEU A 117 0.514 0.291 -6.600 1.00 12.19 C +ATOM 980 CD1 LEU A 117 0.575 -1.222 -6.459 1.00 14.38 C +ATOM 981 CD2 LEU A 117 1.256 0.753 -7.849 1.00 10.14 C +ATOM 982 C LEU A 117 -2.518 2.606 -7.093 1.00 10.88 C +ATOM 983 O LEU A 117 -2.765 2.985 -8.265 1.00 11.53 O +ATOM 984 N MET A 118 -3.452 2.481 -6.146 1.00 10.42 N +ATOM 985 CA MET A 118 -4.823 2.848 -6.403 1.00 10.48 C +ATOM 986 CB MET A 118 -5.659 2.631 -5.171 1.00 13.13 C +ATOM 987 CG MET A 118 -6.023 1.169 -4.942 1.00 14.60 C +ATOM 988 SD MET A 118 -6.812 1.085 -3.306 1.00 14.44 S +ATOM 989 CE MET A 118 -7.401 -0.599 -3.335 1.00 20.16 C +ATOM 990 C MET A 118 -4.954 4.271 -6.865 1.00 9.46 C +ATOM 991 O MET A 118 -5.600 4.537 -7.901 1.00 8.61 O +ATOM 992 N GLY A 119 -4.355 5.186 -6.100 1.00 7.77 N +ATOM 993 CA GLY A 119 -4.369 6.593 -6.458 1.00 11.08 C +ATOM 994 C GLY A 119 -3.620 6.898 -7.780 1.00 11.34 C +ATOM 995 O GLY A 119 -4.047 7.728 -8.579 1.00 8.29 O +ATOM 996 N TYR A 120 -2.478 6.225 -7.973 1.00 11.77 N +ATOM 997 CA TYR A 120 -1.671 6.370 -9.154 1.00 10.79 C +ATOM 998 CB TYR A 120 -0.370 5.552 -9.075 1.00 9.35 C +ATOM 999 CG TYR A 120 0.523 5.911 -10.236 1.00 8.93 C +ATOM 1000 CD1 TYR A 120 1.361 7.033 -10.209 1.00 8.49 C +ATOM 1001 CE1 TYR A 120 2.157 7.355 -11.307 1.00 7.07 C +ATOM 1002 CZ TYR A 120 2.086 6.561 -12.446 1.00 7.22 C +ATOM 1003 OH TYR A 120 2.781 6.771 -13.575 1.00 5.80 O +ATOM 1004 CE2 TYR A 120 1.253 5.463 -12.478 1.00 8.41 C +ATOM 1005 CD2 TYR A 120 0.490 5.158 -11.387 1.00 8.76 C +ATOM 1006 C TYR A 120 -2.460 6.001 -10.424 1.00 11.63 C +ATOM 1007 O TYR A 120 -2.560 6.825 -11.395 1.00 7.78 O +ATOM 1008 N VAL A 121 -2.966 4.756 -10.439 1.00 12.00 N +ATOM 1009 CA VAL A 121 -3.594 4.207 -11.644 1.00 9.62 C +ATOM 1010 CB VAL A 121 -3.861 2.692 -11.566 1.00 9.65 C +ATOM 1011 CG1 VAL A 121 -4.692 2.208 -12.770 1.00 9.29 C +ATOM 1012 CG2 VAL A 121 -2.550 1.927 -11.473 1.00 10.90 C +ATOM 1013 C VAL A 121 -4.861 4.999 -11.930 1.00 10.36 C +ATOM 1014 O VAL A 121 -5.115 5.422 -13.073 1.00 9.00 O +ATOM 1015 N TRP A 122 -5.639 5.261 -10.879 1.00 10.35 N +ATOM 1016 CA TRP A 122 -6.871 6.005 -11.060 1.00 10.59 C +ATOM 1017 CB TRP A 122 -7.608 6.191 -9.727 1.00 11.33 C +ATOM 1018 CG TRP A 122 -8.853 6.956 -9.952 1.00 11.45 C +ATOM 1019 CD1 TRP A 122 -9.938 6.538 -10.631 1.00 12.33 C +ATOM 1020 NE1 TRP A 122 -10.873 7.532 -10.676 1.00 12.12 N +ATOM 1021 CE2 TRP A 122 -10.383 8.627 -10.024 1.00 12.27 C +ATOM 1022 CD2 TRP A 122 -9.104 8.302 -9.575 1.00 13.87 C +ATOM 1023 CE3 TRP A 122 -8.372 9.260 -8.878 1.00 17.98 C +ATOM 1024 CZ3 TRP A 122 -8.950 10.508 -8.662 1.00 18.17 C +ATOM 1025 CH2 TRP A 122 -10.227 10.812 -9.142 1.00 14.65 C +ATOM 1026 CZ2 TRP A 122 -10.959 9.885 -9.815 1.00 14.95 C +ATOM 1027 C TRP A 122 -6.609 7.411 -11.681 1.00 10.52 C +ATOM 1028 O TRP A 122 -7.211 7.780 -12.688 1.00 6.62 O +ATOM 1029 N LEU A 123 -5.730 8.181 -11.026 1.00 9.99 N +ATOM 1030 CA LEU A 123 -5.514 9.562 -11.388 1.00 12.53 C +ATOM 1031 CB LEU A 123 -4.719 10.318 -10.308 1.00 12.84 C +ATOM 1032 CG LEU A 123 -4.573 11.816 -10.693 1.00 16.41 C +ATOM 1033 CD1 LEU A 123 -5.928 12.493 -10.896 1.00 17.09 C +ATOM 1034 CD2 LEU A 123 -3.732 12.579 -9.677 1.00 18.37 C +ATOM 1035 C LEU A 123 -4.817 9.648 -12.756 1.00 12.42 C +ATOM 1036 O LEU A 123 -5.171 10.473 -13.579 1.00 9.14 O +ATOM 1037 N ARG A 124 -3.844 8.758 -12.988 1.00 12.68 N +ATOM 1038 CA ARG A 124 -3.121 8.743 -14.259 1.00 13.93 C +ATOM 1039 CB ARG A 124 -2.007 7.709 -14.199 1.00 14.88 C +ATOM 1040 CG ARG A 124 -1.047 7.685 -15.360 1.00 18.68 C +ATOM 1041 CD ARG A 124 0.014 8.779 -15.313 1.00 18.98 C +ATOM 1042 NE ARG A 124 0.735 8.872 -16.589 1.00 18.18 N +ATOM 1043 CZ ARG A 124 1.820 8.169 -16.932 1.00 17.39 C +ATOM 1044 NH1 ARG A 124 2.389 7.295 -16.123 1.00 15.90 N +ATOM 1045 NH2 ARG A 124 2.364 8.368 -18.108 1.00 19.04 N +ATOM 1046 C ARG A 124 -4.117 8.483 -15.390 1.00 11.93 C +ATOM 1047 O ARG A 124 -4.081 9.146 -16.406 1.00 11.11 O +ATOM 1048 N GLY A 125 -5.013 7.515 -15.173 1.00 11.83 N +ATOM 1049 CA GLY A 125 -6.136 7.249 -16.048 1.00 13.33 C +ATOM 1050 C GLY A 125 -6.964 8.487 -16.324 1.00 12.39 C +ATOM 1051 O GLY A 125 -7.189 8.835 -17.467 1.00 14.55 O +ATOM 1052 N GLU A 126 -7.394 9.173 -15.268 1.00 15.51 N +ATOM 1053 CA GLU A 126 -8.222 10.362 -15.426 1.00 19.50 C +ATOM 1054 CB GLU A 126 -8.706 10.881 -14.061 1.00 21.28 C +ATOM 1055 CG GLU A 126 -9.664 9.937 -13.348 1.00 25.78 C +ATOM 1056 CD GLU A 126 -10.903 9.568 -14.172 1.00 27.78 C +ATOM 1057 OE1 GLU A 126 -11.885 10.327 -14.142 1.00 26.10 O +ATOM 1058 OE2 GLU A 126 -10.906 8.499 -14.838 1.00 34.29 O +ATOM 1059 C GLU A 126 -7.534 11.486 -16.208 1.00 22.38 C +ATOM 1060 O GLU A 126 -8.164 12.133 -17.038 1.00 19.45 O +ATOM 1061 N ARG A 127 -6.243 11.722 -15.936 1.00 24.01 N +ATOM 1062 CA ARG A 127 -5.539 12.899 -16.458 1.00 25.28 C +ATOM 1063 CB ARG A 127 -4.528 13.410 -15.429 1.00 25.96 C +ATOM 1064 CG ARG A 127 -5.155 14.040 -14.192 1.00 30.58 C +ATOM 1065 CD ARG A 127 -4.172 14.944 -13.448 1.00 33.46 C +ATOM 1066 NE ARG A 127 -3.884 16.165 -14.201 1.00 30.34 N +ATOM 1067 CZ ARG A 127 -2.674 16.679 -14.440 1.00 37.18 C +ATOM 1068 NH1 ARG A 127 -1.573 16.137 -13.944 1.00 48.05 N +ATOM 1069 NH2 ARG A 127 -2.565 17.775 -15.170 1.00 35.07 N +ATOM 1070 C ARG A 127 -4.823 12.654 -17.782 1.00 25.09 C +ATOM 1071 O ARG A 127 -4.539 13.574 -18.510 1.00 38.00 O +ATOM 1072 N ASP A 128 -4.536 11.391 -18.083 1.00 30.78 N +ATOM 1073 CA ASP A 128 -3.576 11.028 -19.107 1.00 27.85 C +ATOM 1074 CB ASP A 128 -2.196 10.931 -18.441 1.00 37.74 C +ATOM 1075 CG ASP A 128 -1.055 10.750 -19.420 1.00 32.34 C +ATOM 1076 OD1 ASP A 128 -1.237 10.952 -20.641 1.00 34.10 O +ATOM 1077 OD2 ASP A 128 0.047 10.408 -18.924 1.00 23.64 O +ATOM 1078 C ASP A 128 -4.052 9.686 -19.649 1.00 29.31 C +ATOM 1079 O ASP A 128 -3.365 8.673 -19.529 1.00 21.22 O +ATOM 1080 N PRO A 129 -5.283 9.654 -20.211 1.00 31.44 N +ATOM 1081 CA PRO A 129 -5.854 8.454 -20.824 1.00 33.06 C +ATOM 1082 CB PRO A 129 -6.858 9.051 -21.830 1.00 39.26 C +ATOM 1083 CG PRO A 129 -7.237 10.394 -21.275 1.00 36.32 C +ATOM 1084 CD PRO A 129 -6.219 10.793 -20.244 1.00 33.88 C +ATOM 1085 C PRO A 129 -4.924 7.473 -21.560 1.00 26.37 C +ATOM 1086 O PRO A 129 -4.899 6.302 -21.224 1.00 36.71 O +ATOM 1087 N GLN A 130 -4.200 7.938 -22.576 1.00 29.64 N +ATOM 1088 CA GLN A 130 -3.542 7.011 -23.492 1.00 39.65 C +ATOM 1089 CB GLN A 130 -3.797 7.385 -24.967 1.00 44.02 C +ATOM 1090 CG GLN A 130 -5.228 7.811 -25.333 1.00 46.53 C +ATOM 1091 CD GLN A 130 -6.354 6.883 -24.856 1.00 48.57 C +ATOM 1092 OE1 GLN A 130 -6.162 5.945 -24.073 1.00 39.00 O +ATOM 1093 NE2 GLN A 130 -7.557 7.169 -25.333 1.00 49.29 N +ATOM 1094 C GLN A 130 -2.048 6.792 -23.213 1.00 40.56 C +ATOM 1095 O GLN A 130 -1.258 6.579 -24.130 1.00 43.17 O +ATOM 1096 N SER A 131 -1.680 6.825 -21.929 1.00 36.80 N +ATOM 1097 CA SER A 131 -0.522 6.088 -21.433 1.00 34.27 C +ATOM 1098 CB SER A 131 -0.005 6.673 -20.118 1.00 42.18 C +ATOM 1099 OG SER A 131 -1.057 7.180 -19.311 1.00 46.33 O +ATOM 1100 C SER A 131 -0.938 4.618 -21.261 1.00 33.35 C +ATOM 1101 O SER A 131 -0.093 3.761 -20.966 1.00 24.86 O +ATOM 1102 N GLY A 132 -2.245 4.353 -21.457 1.00 25.71 N +ATOM 1103 CA GLY A 132 -2.818 3.027 -21.492 1.00 23.70 C +ATOM 1104 C GLY A 132 -3.008 2.443 -20.100 1.00 30.35 C +ATOM 1105 O GLY A 132 -3.111 1.224 -19.941 1.00 28.25 O +ATOM 1106 N ILE A 133 -3.043 3.310 -19.084 1.00 25.82 N +ATOM 1107 CA ILE A 133 -3.269 2.881 -17.720 1.00 31.87 C +ATOM 1108 CB ILE A 133 -1.983 3.065 -16.848 1.00 36.08 C +ATOM 1109 CG1 ILE A 133 -1.910 1.980 -15.778 1.00 45.14 C +ATOM 1110 CD1 ILE A 133 -1.219 2.400 -14.489 1.00 52.13 C +ATOM 1111 CG2 ILE A 133 -1.881 4.469 -16.250 1.00 34.59 C +ATOM 1112 C ILE A 133 -4.504 3.635 -17.184 1.00 32.43 C +ATOM 1113 O ILE A 133 -4.606 4.864 -17.304 1.00 27.54 O +ATOM 1114 N TYR A 134 -5.460 2.883 -16.628 1.00 29.47 N +ATOM 1115 CA TYR A 134 -6.641 3.467 -15.977 1.00 28.04 C +ATOM 1116 CB TYR A 134 -7.663 3.946 -17.019 1.00 25.02 C +ATOM 1117 CG TYR A 134 -8.329 2.802 -17.733 1.00 32.76 C +ATOM 1118 CD1 TYR A 134 -7.653 2.092 -18.736 1.00 39.16 C +ATOM 1119 CE1 TYR A 134 -8.257 1.029 -19.392 1.00 39.45 C +ATOM 1120 CZ TYR A 134 -9.549 0.661 -19.041 1.00 37.28 C +ATOM 1121 OH TYR A 134 -10.145 -0.385 -19.695 1.00 41.33 O +ATOM 1122 CE2 TYR A 134 -10.241 1.346 -18.055 1.00 34.47 C +ATOM 1123 CD2 TYR A 134 -9.635 2.409 -17.409 1.00 36.92 C +ATOM 1124 C TYR A 134 -7.279 2.454 -15.025 1.00 22.78 C +ATOM 1125 O TYR A 134 -6.992 1.266 -15.073 1.00 15.53 O +ATOM 1126 N LEU A 135 -8.143 2.950 -14.140 1.00 20.92 N +ATOM 1127 CA LEU A 135 -8.883 2.105 -13.214 1.00 20.28 C +ATOM 1128 CB LEU A 135 -8.721 2.621 -11.778 1.00 17.40 C +ATOM 1129 CG LEU A 135 -9.167 1.651 -10.693 1.00 19.59 C +ATOM 1130 CD1 LEU A 135 -8.377 0.349 -10.719 1.00 19.86 C +ATOM 1131 CD2 LEU A 135 -9.049 2.315 -9.336 1.00 18.34 C +ATOM 1132 C LEU A 135 -10.338 2.129 -13.686 1.00 19.49 C +ATOM 1133 O LEU A 135 -11.023 3.149 -13.567 1.00 21.86 O +ATOM 1134 N GLN A 136 -10.796 1.005 -14.250 1.00 18.05 N +ATOM 1135 CA GLN A 136 -12.175 0.847 -14.672 1.00 17.10 C +ATOM 1136 CB GLN A 136 -12.418 -0.578 -15.249 1.00 26.31 C +ATOM 1137 CG GLN A 136 -13.518 -0.662 -16.307 1.00 39.12 C +ATOM 1138 CD GLN A 136 -13.685 -2.041 -16.978 1.00 50.37 C +ATOM 1139 OE1 GLN A 136 -13.358 -2.202 -18.157 1.00 73.70 O +ATOM 1140 NE2 GLN A 136 -14.222 -3.020 -16.248 1.00 44.72 N +ATOM 1141 C GLN A 136 -13.106 1.176 -13.467 1.00 11.77 C +ATOM 1142 O GLN A 136 -12.832 0.800 -12.321 1.00 9.83 O +ATOM 1143 N ARG A 137 -14.155 1.948 -13.751 1.00 9.13 N +ATOM 1144 CA ARG A 137 -15.284 2.244 -12.871 1.00 9.26 C +ATOM 1145 CB ARG A 137 -16.523 2.317 -13.755 1.00 9.45 C +ATOM 1146 CG ARG A 137 -16.686 3.625 -14.484 1.00 7.99 C +ATOM 1147 CD ARG A 137 -17.939 3.549 -15.320 1.00 8.29 C +ATOM 1148 NE ARG A 137 -18.311 4.883 -15.692 1.00 7.81 N +ATOM 1149 CZ ARG A 137 -19.412 5.200 -16.318 1.00 6.98 C +ATOM 1150 NH1 ARG A 137 -20.290 4.290 -16.689 1.00 7.55 N +ATOM 1151 NH2 ARG A 137 -19.636 6.462 -16.562 1.00 7.93 N +ATOM 1152 C ARG A 137 -15.576 1.230 -11.780 1.00 9.30 C +ATOM 1153 O ARG A 137 -15.502 1.512 -10.576 1.00 7.70 O +ATOM 1154 N GLY A 138 -15.919 0.018 -12.221 1.00 10.91 N +ATOM 1155 CA GLY A 138 -16.153 -1.086 -11.331 1.00 11.21 C +ATOM 1156 C GLY A 138 -15.084 -1.198 -10.300 1.00 11.70 C +ATOM 1157 O GLY A 138 -15.335 -1.106 -9.114 1.00 13.34 O +ATOM 1158 N LEU A 139 -13.850 -1.408 -10.750 1.00 14.08 N +ATOM 1159 CA LEU A 139 -12.792 -1.579 -9.817 1.00 18.01 C +ATOM 1160 CB LEU A 139 -11.471 -2.027 -10.477 1.00 28.25 C +ATOM 1161 CG LEU A 139 -11.357 -3.528 -10.795 1.00 37.18 C +ATOM 1162 CD1 LEU A 139 -11.701 -4.367 -9.572 1.00 34.03 C +ATOM 1163 CD2 LEU A 139 -12.237 -3.920 -11.981 1.00 43.14 C +ATOM 1164 C LEU A 139 -12.580 -0.368 -8.964 1.00 12.45 C +ATOM 1165 O LEU A 139 -12.101 -0.513 -7.855 1.00 12.20 O +ATOM 1166 N ILE A 140 -12.864 0.832 -9.483 1.00 12.62 N +ATOM 1167 CA ILE A 140 -12.641 2.001 -8.639 1.00 18.00 C +ATOM 1168 CB ILE A 140 -12.456 3.359 -9.353 1.00 27.50 C +ATOM 1169 CG1 ILE A 140 -12.422 4.556 -8.331 1.00 57.40 C +ATOM 1170 CD1 ILE A 140 -11.339 4.564 -7.228 1.00 51.20 C +ATOM 1171 CG2 ILE A 140 -13.516 3.590 -10.385 1.00 31.26 C +ATOM 1172 C ILE A 140 -13.682 2.073 -7.553 1.00 14.01 C +ATOM 1173 O ILE A 140 -13.347 2.470 -6.444 1.00 12.52 O +ATOM 1174 N ILE A 141 -14.914 1.629 -7.843 1.00 10.25 N +ATOM 1175 CA ILE A 141 -15.867 1.448 -6.766 1.00 9.31 C +ATOM 1176 CB ILE A 141 -17.183 0.881 -7.262 1.00 9.76 C +ATOM 1177 CG1 ILE A 141 -17.939 2.002 -7.966 1.00 10.18 C +ATOM 1178 CD1 ILE A 141 -18.195 3.190 -7.060 1.00 11.74 C +ATOM 1179 CG2 ILE A 141 -17.955 0.213 -6.107 1.00 8.46 C +ATOM 1180 C ILE A 141 -15.269 0.559 -5.668 1.00 8.65 C +ATOM 1181 O ILE A 141 -15.298 0.917 -4.474 1.00 8.01 O +ATOM 1182 N PHE A 142 -14.688 -0.574 -6.064 1.00 7.17 N +ATOM 1184 CA PHE A 142 -14.228 -1.521 -5.079 1.00 6.50 C +ATOM 1186 CB PHE A 142 -14.070 -2.910 -5.697 1.00 6.27 C +ATOM 1188 CG PHE A 142 -15.368 -3.493 -6.188 1.00 6.80 C +ATOM 1190 CD1 PHE A 142 -16.388 -3.826 -5.291 1.00 6.62 C +ATOM 1192 CE1 PHE A 142 -17.575 -4.352 -5.740 1.00 5.81 C +ATOM 1194 CZ PHE A 142 -17.774 -4.530 -7.082 1.00 6.29 C +ATOM 1196 CE2 PHE A 142 -16.797 -4.212 -7.987 1.00 5.97 C +ATOM 1198 CD2 PHE A 142 -15.609 -3.683 -7.552 1.00 6.58 C +ATOM 1200 C PHE A 142 -12.992 -0.988 -4.364 1.00 7.08 C +ATOM 1202 O PHE A 142 -12.780 -1.252 -3.152 1.00 6.64 O +ATOM 1204 N ALA A 143 -12.185 -0.190 -5.078 1.00 7.18 N +ATOM 1205 CA ALA A 143 -11.049 0.449 -4.442 1.00 7.45 C +ATOM 1206 CB ALA A 143 -10.147 1.164 -5.444 1.00 8.30 C +ATOM 1207 C ALA A 143 -11.560 1.433 -3.405 1.00 8.58 C +ATOM 1208 O ALA A 143 -11.096 1.490 -2.250 1.00 8.72 O +ATOM 1209 N LEU A 144 -12.551 2.211 -3.826 1.00 8.93 N +ATOM 1210 CA LEU A 144 -13.136 3.191 -2.974 1.00 10.41 C +ATOM 1211 CB LEU A 144 -14.061 4.037 -3.805 1.00 9.30 C +ATOM 1212 CG LEU A 144 -14.680 5.221 -3.093 1.00 12.78 C +ATOM 1213 CD1 LEU A 144 -13.653 6.217 -2.568 1.00 12.69 C +ATOM 1214 CD2 LEU A 144 -15.673 5.878 -4.061 1.00 12.97 C +ATOM 1215 C LEU A 144 -13.780 2.566 -1.671 1.00 10.09 C +ATOM 1216 O LEU A 144 -13.589 3.070 -0.559 1.00 9.09 O +ATOM 1217 N ILE A 145 -14.499 1.452 -1.821 1.00 9.56 N +ATOM 1218 CA ILE A 145 -15.037 0.727 -0.675 1.00 9.18 C +ATOM 1219 CB ILE A 145 -15.929 -0.457 -1.150 1.00 9.69 C +ATOM 1220 CG1 ILE A 145 -17.255 0.047 -1.734 1.00 8.27 C +ATOM 1221 CD1 ILE A 145 -18.044 -1.013 -2.449 1.00 8.96 C +ATOM 1222 CG2 ILE A 145 -16.284 -1.397 -0.024 1.00 9.74 C +ATOM 1223 C ILE A 145 -13.898 0.256 0.269 1.00 10.93 C +ATOM 1224 O ILE A 145 -14.020 0.349 1.489 1.00 9.25 O +ATOM 1225 N TRP A 146 -12.801 -0.252 -0.310 1.00 12.33 N +ATOM 1226 CA TRP A 146 -11.646 -0.716 0.460 1.00 15.03 C +ATOM 1227 CB TRP A 146 -10.559 -1.281 -0.478 1.00 16.66 C +ATOM 1228 CG TRP A 146 -9.650 -2.244 0.233 1.00 23.89 C +ATOM 1229 CD1 TRP A 146 -8.296 -2.112 0.488 1.00 22.13 C +ATOM 1230 NE1 TRP A 146 -7.855 -3.214 1.204 1.00 25.00 N +ATOM 1231 CE2 TRP A 146 -8.920 -4.055 1.415 1.00 28.39 C +ATOM 1232 CD2 TRP A 146 -10.053 -3.478 0.815 1.00 25.86 C +ATOM 1233 CE3 TRP A 146 -11.282 -4.160 0.879 1.00 33.64 C +ATOM 1234 CZ3 TRP A 146 -11.337 -5.383 1.541 1.00 35.89 C +ATOM 1235 CH2 TRP A 146 -10.185 -5.929 2.119 1.00 33.24 C +ATOM 1236 CZ2 TRP A 146 -8.975 -5.278 2.071 1.00 32.56 C +ATOM 1237 C TRP A 146 -11.077 0.429 1.322 1.00 13.29 C +ATOM 1238 O TRP A 146 -10.792 0.270 2.510 1.00 11.57 O +ATOM 1239 N ILE A 147 -10.983 1.606 0.713 1.00 12.37 N +ATOM 1240 CA ILE A 147 -10.478 2.801 1.385 1.00 13.81 C +ATOM 1241 CB ILE A 147 -10.279 3.943 0.359 1.00 13.43 C +ATOM 1242 CG1 ILE A 147 -9.137 3.603 -0.618 1.00 14.72 C +ATOM 1243 CD1 ILE A 147 -9.096 4.536 -1.810 1.00 17.13 C +ATOM 1244 CG2 ILE A 147 -9.966 5.250 1.047 1.00 13.86 C +ATOM 1245 C ILE A 147 -11.423 3.218 2.511 1.00 11.85 C +ATOM 1246 O ILE A 147 -10.998 3.535 3.591 1.00 11.58 O +ATOM 1247 N VAL A 148 -12.730 3.201 2.240 1.00 13.87 N +ATOM 1248 CA VAL A 148 -13.726 3.490 3.265 1.00 12.37 C +ATOM 1249 CB VAL A 148 -15.146 3.473 2.682 1.00 13.53 C +ATOM 1250 CG1 VAL A 148 -16.182 3.654 3.780 1.00 12.17 C +ATOM 1251 CG2 VAL A 148 -15.306 4.596 1.651 1.00 14.45 C +ATOM 1252 C VAL A 148 -13.616 2.504 4.445 1.00 12.18 C +ATOM 1253 O VAL A 148 -13.747 2.897 5.608 1.00 10.26 O +ATOM 1254 N ALA A 149 -13.405 1.218 4.138 1.00 12.37 N +ATOM 1255 CA ALA A 149 -13.307 0.181 5.163 1.00 13.92 C +ATOM 1256 CB ALA A 149 -13.016 -1.166 4.532 1.00 12.52 C +ATOM 1257 C ALA A 149 -12.171 0.538 6.135 1.00 19.91 C +ATOM 1258 O ALA A 149 -12.349 0.513 7.373 1.00 18.95 O +ATOM 1259 N GLY A 150 -11.017 0.867 5.545 1.00 15.29 N +ATOM 1260 CA GLY A 150 -9.818 1.253 6.281 1.00 21.90 C +ATOM 1261 C GLY A 150 -10.058 2.499 7.114 1.00 21.19 C +ATOM 1262 O GLY A 150 -9.734 2.511 8.307 1.00 20.08 O +ATOM 1263 N TRP A 151 -10.695 3.511 6.517 1.00 14.25 N +ATOM 1264 CA TRP A 151 -10.857 4.782 7.192 1.00 16.10 C +ATOM 1265 CB TRP A 151 -11.453 5.854 6.257 1.00 21.32 C +ATOM 1266 CG TRP A 151 -11.410 7.178 6.914 1.00 26.58 C +ATOM 1267 CD1 TRP A 151 -12.455 7.899 7.436 1.00 28.90 C +ATOM 1268 NE1 TRP A 151 -11.995 9.059 8.007 1.00 29.20 N +ATOM 1269 CE2 TRP A 151 -10.624 9.087 7.908 1.00 43.17 C +ATOM 1270 CD2 TRP A 151 -10.221 7.910 7.226 1.00 43.04 C +ATOM 1271 CE3 TRP A 151 -8.849 7.692 6.983 1.00 35.00 C +ATOM 1272 CZ3 TRP A 151 -7.937 8.632 7.428 1.00 39.38 C +ATOM 1273 CH2 TRP A 151 -8.365 9.801 8.106 1.00 36.13 C +ATOM 1274 CZ2 TRP A 151 -9.696 10.045 8.355 1.00 47.28 C +ATOM 1275 C TRP A 151 -11.727 4.646 8.461 1.00 16.03 C +ATOM 1276 O TRP A 151 -11.420 5.164 9.515 1.00 20.42 O +ATOM 1277 N PHE A 152 -12.845 3.942 8.336 1.00 13.13 N +ATOM 1278 CA PHE A 152 -13.766 3.769 9.410 1.00 9.38 C +ATOM 1279 CB PHE A 152 -15.189 3.792 8.850 1.00 8.08 C +ATOM 1280 CG PHE A 152 -15.604 5.121 8.347 1.00 6.45 C +ATOM 1281 CD1 PHE A 152 -16.006 6.092 9.221 1.00 6.02 C +ATOM 1282 CE1 PHE A 152 -16.403 7.339 8.762 1.00 6.85 C +ATOM 1283 CZ PHE A 152 -16.365 7.618 7.404 1.00 6.58 C +ATOM 1284 CE2 PHE A 152 -15.923 6.645 6.522 1.00 6.07 C +ATOM 1285 CD2 PHE A 152 -15.556 5.403 7.001 1.00 6.21 C +ATOM 1286 C PHE A 152 -13.474 2.486 10.175 1.00 9.61 C +ATOM 1287 O PHE A 152 -14.227 2.111 10.999 1.00 10.68 O +ATOM 1288 N ASP A 153 -12.335 1.848 9.912 1.00 15.13 N +ATOM 1289 CA ASP A 153 -11.899 0.657 10.632 1.00 18.45 C +ATOM 1290 CB ASP A 153 -11.395 0.924 12.080 1.00 27.46 C +ATOM 1291 CG ASP A 153 -10.542 -0.289 12.632 1.00 33.43 C +ATOM 1292 OD1 ASP A 153 -9.962 -1.032 11.784 1.00 34.18 O +ATOM 1293 OD2 ASP A 153 -10.485 -0.532 13.871 1.00 24.69 O +ATOM 1294 C ASP A 153 -12.958 -0.405 10.672 1.00 15.88 C +ATOM 1295 O ASP A 153 -13.323 -0.896 11.726 1.00 13.39 O +ATOM 1296 N LEU A 154 -13.416 -0.805 9.488 1.00 15.14 N +ATOM 1297 CA LEU A 154 -14.434 -1.827 9.392 1.00 16.65 C +ATOM 1298 CB LEU A 154 -15.242 -1.599 8.106 1.00 12.61 C +ATOM 1299 CG LEU A 154 -15.960 -0.234 8.058 1.00 10.24 C +ATOM 1300 CD1 LEU A 154 -16.778 -0.087 6.761 1.00 11.72 C +ATOM 1301 CD2 LEU A 154 -16.839 -0.024 9.264 1.00 8.03 C +ATOM 1302 C LEU A 154 -13.824 -3.241 9.528 1.00 17.35 C +ATOM 1303 O LEU A 154 -14.517 -4.217 9.470 1.00 22.93 O +ATOM 1304 N PHE A 155 -12.525 -3.309 9.806 1.00 24.98 N +ATOM 1305 CA PHE A 155 -11.746 -4.547 9.878 1.00 33.79 C +ATOM 1306 CB PHE A 155 -10.426 -4.320 9.177 1.00 27.67 C +ATOM 1307 CG PHE A 155 -10.553 -4.215 7.684 1.00 32.42 C +ATOM 1308 CD1 PHE A 155 -11.225 -5.200 6.955 1.00 22.21 C +ATOM 1309 CE1 PHE A 155 -11.309 -5.128 5.579 1.00 25.70 C +ATOM 1310 CZ PHE A 155 -10.716 -4.073 4.905 1.00 29.02 C +ATOM 1311 CE2 PHE A 155 -10.043 -3.083 5.615 1.00 43.09 C +ATOM 1312 CD2 PHE A 155 -9.957 -3.158 6.999 1.00 34.21 C +ATOM 1313 C PHE A 155 -11.427 -4.997 11.287 1.00 37.83 C +ATOM 1314 O PHE A 155 -11.794 -4.318 12.250 1.00 28.41 O +ATOM 1315 N GLY A 156 -10.740 -6.149 11.378 1.00 38.40 N +ATOM 1316 CA GLY A 156 -10.257 -6.725 12.620 1.00 35.24 C +ATOM 1317 C GLY A 156 -9.447 -5.781 13.502 1.00 26.60 C +ATOM 1318 O GLY A 156 -9.929 -5.288 14.496 1.00 47.21 O +ATOM 1319 N MET A 157 -8.195 -5.541 13.140 1.00 24.95 N +ATOM 1320 CA MET A 157 -7.295 -4.794 13.991 1.00 28.59 C +ATOM 1321 CB MET A 157 -5.887 -5.395 13.950 1.00 39.60 C +ATOM 1322 CG MET A 157 -4.976 -5.076 12.755 1.00 47.28 C +ATOM 1323 SD MET A 157 -3.200 -5.180 13.227 1.00 49.14 S +ATOM 1324 CE MET A 157 -3.108 -6.856 13.896 1.00 47.84 C +ATOM 1325 C MET A 157 -7.308 -3.326 13.618 1.00 26.25 C +ATOM 1326 O MET A 157 -7.988 -2.956 12.701 1.00 24.50 O +ATOM 1327 N SER A 158 -6.545 -2.498 14.343 1.00 24.79 N +ATOM 1328 CA SER A 158 -6.371 -1.095 14.001 1.00 25.23 C +ATOM 1329 CB SER A 158 -5.529 -0.405 15.045 1.00 32.87 C +ATOM 1330 OG SER A 158 -6.104 -0.608 16.289 1.00 32.23 O +ATOM 1331 C SER A 158 -5.723 -0.875 12.627 1.00 23.56 C +ATOM 1332 O SER A 158 -4.885 -1.651 12.154 1.00 17.24 O +ATOM 1333 N MET A 159 -6.135 0.208 11.978 1.00 22.08 N +ATOM 1334 CA MET A 159 -5.628 0.524 10.669 1.00 24.12 C +ATOM 1335 CB MET A 159 -6.747 1.108 9.785 1.00 30.07 C +ATOM 1336 CG MET A 159 -7.821 0.094 9.403 1.00 25.31 C +ATOM 1337 SD MET A 159 -7.276 -1.103 8.187 1.00 33.07 S +ATOM 1338 CE MET A 159 -7.001 -2.502 9.295 1.00 33.31 C +ATOM 1339 C MET A 159 -4.496 1.515 10.854 1.00 18.37 C +ATOM 1340 O MET A 159 -4.519 2.367 11.750 1.00 14.74 O +ATOM 1341 N ALA A 160 -3.485 1.401 9.999 1.00 17.85 N +ATOM 1342 CA ALA A 160 -2.406 2.381 9.974 1.00 14.05 C +ATOM 1343 CB ALA A 160 -1.156 1.737 9.346 1.00 15.78 C +ATOM 1344 C ALA A 160 -2.959 3.535 9.142 1.00 12.19 C +ATOM 1345 O ALA A 160 -2.833 3.536 7.930 1.00 12.07 O +ATOM 1346 N ASN A 161 -3.614 4.493 9.809 1.00 13.53 N +ATOM 1347 CA ASN A 161 -4.286 5.599 9.124 1.00 19.51 C +ATOM 1348 CB ASN A 161 -5.192 6.407 10.040 1.00 17.89 C +ATOM 1349 CG ASN A 161 -6.348 5.587 10.588 1.00 22.17 C +ATOM 1350 OD1 ASN A 161 -6.556 5.549 11.794 1.00 33.97 O +ATOM 1351 ND2 ASN A 161 -7.100 4.933 9.716 1.00 23.40 N +ATOM 1352 C ASN A 161 -3.297 6.549 8.468 1.00 17.15 C +ATOM 1353 O ASN A 161 -3.558 7.059 7.379 1.00 12.86 O +ATOM 1354 N GLY A 162 -2.137 6.713 9.104 1.00 13.45 N +ATOM 1355 CA GLY A 162 -1.098 7.569 8.572 1.00 13.72 C +ATOM 1356 C GLY A 162 -0.483 6.960 7.346 1.00 11.46 C +ATOM 1357 O GLY A 162 -0.307 7.640 6.369 1.00 13.83 O +ATOM 1358 N ALA A 163 -0.142 5.670 7.407 1.00 12.52 N +ATOM 1359 CA ALA A 163 0.360 4.971 6.235 1.00 12.63 C +ATOM 1360 CB ALA A 163 0.673 3.503 6.522 1.00 14.33 C +ATOM 1361 C ALA A 163 -0.648 5.068 5.086 1.00 15.22 C +ATOM 1362 O ALA A 163 -0.240 5.148 3.929 1.00 15.81 O +ATOM 1363 N HIS A 164 -1.954 4.972 5.388 1.00 16.26 N +ATOM 1364 CA HIS A 164 -2.962 4.972 4.315 1.00 13.79 C +ATOM 1365 CB HIS A 164 -4.338 4.562 4.811 1.00 13.42 C +ATOM 1366 CG HIS A 164 -4.472 3.093 5.043 1.00 13.02 C +ATOM 1367 ND1 HIS A 164 -5.403 2.558 5.903 1.00 17.19 N +ATOM 1368 CE1 HIS A 164 -5.309 1.243 5.893 1.00 14.34 C +ATOM 1369 NE2 HIS A 164 -4.313 0.903 5.097 1.00 14.26 N +ATOM 1370 CD2 HIS A 164 -3.773 2.046 4.552 1.00 16.05 C +ATOM 1371 C HIS A 164 -3.030 6.313 3.605 1.00 15.17 C +ATOM 1372 O HIS A 164 -3.048 6.360 2.365 1.00 9.69 O +ATOM 1373 N ILE A 165 -3.075 7.392 4.402 1.00 14.29 N +ATOM 1374 CA ILE A 165 -3.234 8.732 3.892 1.00 16.34 C +ATOM 1375 CB ILE A 165 -3.398 9.793 5.002 1.00 21.89 C +ATOM 1376 CG1 ILE A 165 -4.588 9.508 5.895 1.00 33.29 C +ATOM 1377 CD1 ILE A 165 -4.474 10.177 7.266 1.00 39.80 C +ATOM 1378 CG2 ILE A 165 -3.607 11.173 4.390 1.00 25.23 C +ATOM 1379 C ILE A 165 -1.969 9.076 3.096 1.00 13.49 C +ATOM 1380 O ILE A 165 -2.045 9.587 2.001 1.00 14.19 O +ATOM 1381 N ALA A 166 -0.802 8.779 3.667 1.00 11.61 N +ATOM 1382 CA ALA A 166 0.456 9.081 3.024 1.00 12.97 C +ATOM 1383 CB ALA A 166 1.569 8.815 3.990 1.00 13.37 C +ATOM 1384 C ALA A 166 0.659 8.323 1.668 1.00 12.77 C +ATOM 1385 O ALA A 166 1.104 8.904 0.678 1.00 16.05 O +ATOM 1386 N GLY A 167 0.280 7.051 1.631 1.00 11.83 N +ATOM 1387 CA GLY A 167 0.435 6.201 0.463 1.00 12.25 C +ATOM 1388 C GLY A 167 -0.471 6.718 -0.639 1.00 16.57 C +ATOM 1389 O GLY A 167 -0.028 6.930 -1.761 1.00 15.94 O +ATOM 1390 N LEU A 168 -1.735 6.988 -0.293 1.00 16.37 N +ATOM 1391 CA LEU A 168 -2.701 7.520 -1.267 1.00 18.66 C +ATOM 1392 CB LEU A 168 -4.070 7.765 -0.624 1.00 16.91 C +ATOM 1393 CG LEU A 168 -5.219 8.274 -1.514 1.00 17.02 C +ATOM 1394 CD1 LEU A 168 -5.444 7.359 -2.716 1.00 16.33 C +ATOM 1395 CD2 LEU A 168 -6.475 8.343 -0.661 1.00 18.17 C +ATOM 1396 C LEU A 168 -2.168 8.838 -1.858 1.00 17.50 C +ATOM 1397 O LEU A 168 -2.167 9.000 -3.064 1.00 15.54 O +ATOM 1398 N ALA A 169 -1.717 9.749 -0.982 1.00 15.54 N +ATOM 1399 CA ALA A 169 -1.131 11.022 -1.377 1.00 19.82 C +ATOM 1400 CB ALA A 169 -0.661 11.793 -0.152 1.00 20.15 C +ATOM 1401 C ALA A 169 0.033 10.863 -2.354 1.00 17.04 C +ATOM 1402 O ALA A 169 0.116 11.572 -3.331 1.00 18.40 O +ATOM 1403 N VAL A 170 0.955 9.951 -2.037 1.00 16.33 N +ATOM 1404 CA VAL A 170 2.119 9.696 -2.880 1.00 15.30 C +ATOM 1405 CB VAL A 170 3.017 8.622 -2.247 1.00 15.13 C +ATOM 1406 CG1 VAL A 170 3.960 8.002 -3.261 1.00 17.24 C +ATOM 1407 CG2 VAL A 170 3.820 9.214 -1.141 1.00 17.75 C +ATOM 1408 C VAL A 170 1.691 9.257 -4.301 1.00 12.50 C +ATOM 1409 O VAL A 170 2.221 9.741 -5.288 1.00 15.58 O +ATOM 1410 N GLY A 171 0.730 8.339 -4.368 1.00 12.65 N +ATOM 1411 CA GLY A 171 0.199 7.825 -5.611 1.00 12.55 C +ATOM 1412 C GLY A 171 -0.396 8.933 -6.476 1.00 12.05 C +ATOM 1413 O GLY A 171 -0.097 9.063 -7.661 1.00 10.67 O +ATOM 1414 N LEU A 172 -1.284 9.718 -5.871 1.00 12.60 N +ATOM 1415 CA LEU A 172 -1.940 10.825 -6.557 1.00 10.75 C +ATOM 1416 CB LEU A 172 -2.913 11.543 -5.630 1.00 10.43 C +ATOM 1417 CG LEU A 172 -4.134 10.684 -5.230 1.00 10.97 C +ATOM 1418 CD1 LEU A 172 -5.021 11.468 -4.265 1.00 10.41 C +ATOM 1419 CD2 LEU A 172 -4.964 10.112 -6.372 1.00 9.57 C +ATOM 1420 C LEU A 172 -0.907 11.807 -7.105 1.00 10.15 C +ATOM 1421 O LEU A 172 -1.006 12.257 -8.239 1.00 11.39 O +ATOM 1422 N ALA A 173 0.105 12.102 -6.290 1.00 11.33 N +ATOM 1423 CA ALA A 173 1.120 13.098 -6.590 1.00 11.38 C +ATOM 1424 CB ALA A 173 1.927 13.427 -5.324 1.00 11.60 C +ATOM 1425 C ALA A 173 2.049 12.659 -7.718 1.00 10.08 C +ATOM 1426 O ALA A 173 2.448 13.462 -8.534 1.00 6.75 O +ATOM 1427 N MET A 174 2.450 11.384 -7.699 1.00 11.63 N +ATOM 1428 CA MET A 174 3.257 10.843 -8.771 1.00 11.25 C +ATOM 1429 CB MET A 174 3.817 9.479 -8.401 1.00 12.02 C +ATOM 1430 CG MET A 174 4.944 9.555 -7.368 1.00 15.32 C +ATOM 1431 SD MET A 174 5.480 7.886 -6.889 1.00 15.04 S +ATOM 1432 CE MET A 174 6.715 7.576 -8.183 1.00 12.84 C +ATOM 1433 C MET A 174 2.483 10.786 -10.093 1.00 11.07 C +ATOM 1434 O MET A 174 3.070 11.003 -11.185 1.00 9.35 O +ATOM 1435 N ALA A 175 1.175 10.496 -9.994 1.00 11.79 N +ATOM 1436 CA ALA A 175 0.289 10.461 -11.160 1.00 11.52 C +ATOM 1437 CB ALA A 175 -1.103 9.939 -10.783 1.00 12.52 C +ATOM 1438 C ALA A 175 0.208 11.844 -11.806 1.00 10.15 C +ATOM 1439 O ALA A 175 0.298 11.967 -13.006 1.00 9.36 O +ATOM 1440 N PHE A 176 0.047 12.864 -10.960 1.00 10.78 N +ATOM 1441 CA PHE A 176 0.036 14.276 -11.317 1.00 11.72 C +ATOM 1442 CB PHE A 176 -0.145 15.139 -10.051 1.00 14.22 C +ATOM 1443 CG PHE A 176 -0.205 16.590 -10.335 1.00 18.68 C +ATOM 1444 CD1 PHE A 176 -1.411 17.198 -10.600 1.00 22.29 C +ATOM 1445 CE1 PHE A 176 -1.460 18.535 -10.912 1.00 25.58 C +ATOM 1446 CZ PHE A 176 -0.297 19.280 -10.968 1.00 24.53 C +ATOM 1447 CE2 PHE A 176 0.912 18.687 -10.709 1.00 25.31 C +ATOM 1448 CD2 PHE A 176 0.954 17.344 -10.394 1.00 23.15 C +ATOM 1449 C PHE A 176 1.318 14.675 -12.027 1.00 11.73 C +ATOM 1450 O PHE A 176 1.289 15.249 -13.130 1.00 11.14 O +ATOM 1451 N VAL A 177 2.449 14.361 -11.392 1.00 10.67 N +ATOM 1452 CA VAL A 177 3.751 14.659 -11.950 1.00 11.71 C +ATOM 1453 CB VAL A 177 4.904 14.287 -10.964 1.00 16.60 C +ATOM 1454 CG1 VAL A 177 6.283 14.323 -11.664 1.00 14.00 C +ATOM 1455 CG2 VAL A 177 4.866 15.206 -9.722 1.00 16.83 C +ATOM 1456 C VAL A 177 3.918 13.947 -13.293 1.00 8.91 C +ATOM 1457 O VAL A 177 4.266 14.572 -14.237 1.00 6.73 O +ATOM 1458 N ASP A 178 3.626 12.642 -13.351 1.00 9.91 N +ATOM 1459 CA ASP A 178 3.724 11.882 -14.603 1.00 10.55 C +ATOM 1460 CB ASP A 178 3.508 10.415 -14.390 1.00 9.42 C +ATOM 1461 CG ASP A 178 4.590 9.782 -13.555 1.00 12.66 C +ATOM 1462 OD1 ASP A 178 5.587 10.477 -13.265 1.00 10.80 O +ATOM 1463 OD2 ASP A 178 4.472 8.566 -13.203 1.00 9.20 O +ATOM 1464 C ASP A 178 2.777 12.360 -15.713 1.00 11.79 C +ATOM 1465 O ASP A 178 3.075 12.171 -16.888 1.00 11.79 O +ATOM 1466 N SER A 179 1.678 13.015 -15.327 1.00 15.85 N +ATOM 1467 CA SER A 179 0.683 13.546 -16.256 1.00 17.77 C +ATOM 1468 CB SER A 179 -0.626 13.768 -15.528 1.00 18.19 C +ATOM 1469 OG SER A 179 -1.203 12.544 -15.166 1.00 25.24 O +ATOM 1470 C SER A 179 1.072 14.882 -16.866 1.00 25.25 C +ATOM 1471 O SER A 179 0.413 15.364 -17.811 1.00 25.62 O +ATOM 1472 N LEU A 180 2.094 15.532 -16.302 1.00 26.63 N +ATOM 1473 CA LEU A 180 2.521 16.803 -16.854 1.00 29.49 C +ATOM 1474 CB LEU A 180 3.351 17.583 -15.842 1.00 27.08 C +ATOM 1475 CG LEU A 180 2.555 18.129 -14.659 1.00 25.36 C +ATOM 1476 CD1 LEU A 180 3.509 18.829 -13.712 1.00 29.68 C +ATOM 1477 CD2 LEU A 180 1.468 19.087 -15.103 1.00 25.61 C +ATOM 1478 C LEU A 180 3.243 16.561 -18.193 1.00 36.61 C +ATOM 1479 O LEU A 180 3.097 17.366 -19.140 1.00 32.04 O +ATOM 1480 N ASN A 181 3.963 15.430 -18.274 1.00 38.78 N +ATOM 1481 CA ASN A 181 4.622 14.971 -19.503 1.00 54.97 C +ATOM 1482 CB ASN A 181 5.610 13.821 -19.220 1.00 67.37 C +ATOM 1483 CG ASN A 181 6.557 14.105 -18.047 1.00 73.12 C +ATOM 1484 OD1 ASN A 181 7.634 14.688 -18.216 1.00 52.00 O +ATOM 1485 ND2 ASN A 181 6.169 13.654 -16.856 1.00 60.66 N +ATOM 1486 C ASN A 181 3.604 14.497 -20.571 1.00 76.54 C +ATOM 1487 O ASN A 181 2.739 13.640 -20.287 1.00 63.45 O +ATOM 1488 N ALA A 182 3.729 15.061 -21.787 1.00 63.44 N +ATOM 1489 CA ALA A 182 2.857 14.797 -22.944 1.00 54.25 C +ATOM 1490 CB ALA A 182 3.241 13.491 -23.630 1.00 52.80 C +ATOM 1491 C ALA A 182 1.371 14.797 -22.585 1.00 57.61 C +ATOM 1492 O ALA A 182 0.928 15.573 -21.737 1.00 50.41 O TER diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt index f201766..85751eb 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt @@ -49,3 +49,13 @@ date,exp,corr,slope,intercept,count 2022-05-17-07-18,ddG_sds_07_01,0.222,0.169,-0.191,8 2022-05-17-07-18,ddG_unf_08_01,-1.0,-3.763,3.396,2 2022-05-17-07-18,all,0.156,0.515,3.873,161 +2022-07-08-09-39,ddG_unf_00_01,-0.586,-1.224,-3.737,6 +2022-07-08-09-39,ddG_unf_01_01,-0.998,-1.341,-3.891,3 +2022-07-08-09-39,ddG_kin_02_01,0.306,2.14,3.764,67 +2022-07-08-09-39,ddG_03_01,0.355,4.518,1.877,27 +2022-07-08-09-39,ddG_unf_04_01,0.563,2.719,-0.748,20 +2022-07-08-09-39,ddG_unf_05_01,0.762,5.427,-2.568,20 +2022-07-08-09-39,ddG_sds_06_01,0.166,0.158,0.165,8 +2022-07-08-09-39,ddG_sds_07_01,0.239,0.2,0.087,8 +2022-07-08-09-39,ddG_unf_08_01,-1.0,-3.804,3.658,2 +2022-07-08-09-39,all,0.158,0.536,4.13,161 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt index a6a6340..7a470c6 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt @@ -1,154 +1,154 @@ -variant,2022-03-10-10-15,2022-03-14-10-06,2022-03-14-16-33,2022-03-15-09-44,2022-05-17-07-19 -V6A:M10A,13.618,13.422,12.994,13.199,13.413 -T7A,0.39,0.986,0.25,0.284,1.056 -T7A:S81A,-1.648,-0.971,-1.887,-1.796,-1.024 -T7A:E76A:S81A,1.488,2.471,3.759,2.916,1.782 -T7A:E76A,6.034,6.945,6.97,6.113,6.958 -M10A,6.722,6.46,6.796,6.829,6.543 -M11A:F18A,17.909,18.139,19.551,19.329,18.132 -M11A:F18A:I61A:L65A,36.89,37.133,38.491,38.489,37.136 -C14A,1.78,1.779,1.747,1.764,1.768 -C14V,-0.079,-0.166,0.397,0.179,-0.176 -M21A,8.789,8.691,8.546,8.552,8.819 -Q22A,-0.81,-0.81,-0.82,-0.806,-0.805 -M30A,4.934,5.172,4.798,4.836,4.747 -L31A:F37A,12.249,12.178,12.408,12.412,12.259 -L31A:F37A:W106A,18.04,17.967,17.949,17.806,18.05 -L33A,8.791,8.753,8.892,8.869,8.776 -F43A:F45A,9.126,9.14,9.018,8.62,9.141 -F43A:F45A:F49A,23.211,23.075,22.953,22.789,23.186 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--git a/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py b/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py index c9b2cc7..0dc4802 100644 --- a/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py +++ b/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py @@ -11,7 +11,9 @@ # Standard library imports from argparse import Namespace +from datetime import date import os +import re import shutil import sys import unittest @@ -55,29 +57,15 @@ def clean_reference_from_local_path(dir_name, local_path): fp.write(s) -def clean_version(dir_name, new_val='XXXtagvXXX'): +def clean_version(dir_name, new_val='XXXtagvXXX', old_val=' *tagv* '): for dname, dirs, files in os.walk(dir_name): for fname in files: - if not fname.startswith('.'): - fpath = os.path.join(dname, fname) - s = '' - with open(fpath, 'r') as fp: - s = fp.read() - s = s.replace(' *tagv* ', new_val) - with open(fpath, 'w') as fp: - fp.write(s) - - -def remove_header(dir_name): - for dname, dirs, files in os.walk(dir_name): - for fname in files: - if not fname.startswith('.'): + if (not fname.startswith('.')) and (not fname.endswith('.png')): fpath = os.path.join(dname, fname) s = '' with open(fpath, 'r') as fp: s = fp.read() - s = s.replace('HEADER *', '') - s = s.replace('REMARK *', '') + s = re.sub(old_val, new_val, s) with open(fpath, 'w') as fp: fp.write(s) @@ -163,10 +151,22 @@ def test_create_rosettamutfile_prov_flag(self): self.create # evaluates the test - skip_files = ['logs/info.log', 'span.log', - 'mp_lipid_acc/input_A_0001.pdb', 'parse_ddgs.sbatch', + skip_files = [ + 'logs/info.log', + 'span.log', + 'input_mp_aligned_all', + 'input_mp_aligned_all_atm_lig', + 'input_mp_aligned_all_atm', + 'input_mp_aligned', + 'input_mp_aligned_atm', + 'ref_opm.pdb', + 'mp_lipid_acc/input_A_0001.pdb', ] + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.output_dir, new_val='\n', old_val='VERSION.*\n') output_dic = {} for r, d, f in os.walk(self.output_dir): for file in f: @@ -196,7 +196,11 @@ def test_create_rosettamutfile_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') - remove_header(self.reference_dir) + clean_version(self.reference_dir, new_val='', old_val='HEADER *') + clean_version(self.reference_dir, new_val='', old_val='REMARK *') + clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.reference_dir, new_val='\n', old_val='VERSION.*\n') + for r, d, f in os.walk(self.reference_dir): for file in f: file_join = os.path.join(r, file) @@ -213,7 +217,10 @@ def test_create_rosettamutfile_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - + # print('test_create_rosettamutfile_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) self.assertDictEqual(output_dic, reference_dic) @@ -274,10 +281,20 @@ def test_create_pipemut_prov_flag(self): self.create # evaluates the test - skip_files = ['logs/info.log', 'span.log', - 'mp_lipid_acc/input_A_0001.pdb', 'parse_ddgs.sbatch', + skip_files = [ + 'logs/info.log', + 'span.log', + 'input_mp_aligned_all', + 'input_mp_aligned_all_atm_lig', + 'input_mp_aligned_all_atm', + 'input_mp_aligned', + 'input_mp_aligned_atm', ] + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.output_dir, new_val='\n', old_val='VERSION.*\n') output_dic = {} for r, d, f in os.walk(self.output_dir): for file in f: @@ -307,6 +324,8 @@ def test_create_pipemut_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') + clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.reference_dir, new_val='\n', old_val='VERSION.*\n') for r, d, f in os.walk(self.reference_dir): for file in f: file_join = os.path.join(r, file) @@ -323,7 +342,10 @@ def test_create_pipemut_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - + # print('test_create_pipemut_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) self.assertDictEqual(output_dic, reference_dic) @@ -383,10 +405,23 @@ def test_create_mutdir_prov_flag(self): self.create # evaluates the test - skip_files = ['logs/info.log', 'span.log', - 'mp_lipid_acc/input_A_0001.pdb', 'mutation_clean.txt', 'parse_ddgs.sbatch', + skip_files = [ + 'logs/info.log', + 'span.log', + 'input_mp_aligned_all', + 'input_mp_aligned_all_atm_lig', + 'input_mp_aligned_all_atm', + 'input_mp_aligned', + 'input_mp_aligned_atm', + 'ref_opm.pdb', + 'mp_lipid_acc/input_A_0001.pdb', + 'mutation_clean.txt', ] + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.output_dir, new_val='\n', old_val='VERSION.*\n') output_dic = {} for r, d, f in os.walk(self.output_dir): for file in f: @@ -416,6 +451,8 @@ def test_create_mutdir_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') + clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.reference_dir, new_val='\n', old_val='VERSION.*\n') for r, d, f in os.walk(self.reference_dir): for file in f: file_join = os.path.join(r, file) @@ -432,7 +469,10 @@ def test_create_mutdir_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - + # print('test_create_mutdir_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) self.assertDictEqual(output_dic, reference_dic) @@ -493,10 +533,20 @@ def test_create_homodimer_prov_flag(self): self.create # evaluates the test - skip_files = ['logs/info.log', 'span.log', - 'mp_lipid_acc/input_A_0001.pdb', 'mutation_clean.txt', 'parse_ddgs.sbatch', + skip_files = [ + 'logs/info.log', + 'span.log', + 'mutation_clean.txt', + 'input_mp_aligned_all', + 'input_mp_aligned_all_atm_lig', + 'input_mp_aligned_all_atm', + 'input_mp_aligned', + 'input_mp_aligned_atm', ] - + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.output_dir, new_val='\n', old_val='VERSION.*\n') output_dic = {} for r, d, f in os.walk(self.output_dir): for file in f: @@ -526,6 +576,127 @@ def test_create_homodimer_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') + clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.reference_dir, new_val='\n', old_val='VERSION.*\n') + for r, d, f in os.walk(self.reference_dir): + for file in f: + file_join = os.path.join(r, file) + # skip specific files + skip=False + for skip_file in skip_files: + if file_join.endswith(skip_file): + skip=True + if skip==False: + parent_directory = r.split(self.reference_dir)[1] + # remove local paths within files + if not file.startswith('.'): + with open(file_join, 'r') as fp: + reference_dic[os.path.join( + parent_directory, file)] = fp.read() + self.maxDiff = None + # print('test_create_homodimer_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) + self.assertDictEqual(output_dic, reference_dic) + + + + def test_create_deepTMHMM_prov_flag(self): + # initiates output and reference directory + self.output_dir = tmp('create_deepTMHMM_GlpG_prov_flag') + self.reference_dir = data('mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM') + + # initiates the test + inputdict = { + 'STRUC_FILE': data('mp-pipeline/input/6xro_final_renum.pdb'), + 'OUTPUT_FILE': self.output_dir, + 'MODE': 'create', + 'MUT_MODE': 'mut_file', + 'MUTATION_INPUT': data('mp-pipeline/input/mut_files'), + 'CHAIN': 'A', + 'RUN_STRUC': None, + 'LIGAND': None, + 'OVERWRITE_PATH': True, + 'SLURM_PARTITION': 'sbinlab', + 'GAPS_OUTPUT': False, + 'DUMP_PDB': 0, + 'DO_CHECKING': True, + 'NO_ZIP': False, + 'ZIP_FILES': True, + 'VERBOSE': False, + 'IS_MP': True, + 'MP_SPAN_INPUT': None, + 'MP_CALC_SPAN_MODE': 'deepTMHMM', + 'MP_ALIGN_REF': '-', + 'MP_ALIGN_MODE': 'span', + 'SUPERPOSE_ONTM': True, + 'DDG_FLAG_FILE': os.path.join(rosetta_paths.path_to_data, 'sp', 'cartesian_ddg_flagfile'), + 'RELAX_FLAG_FILE': os.path.join(rosetta_paths.path_to_data, 'sp', 'relax_flagfile'), + 'RELAX_XML_INPUT': os.path.join(rosetta_paths.path_to_data, 'mp', 'mp_cart_relax.xml'), + 'UNIPROT_ID': '', + 'SCALE_FACTOR': 1, + 'MP_THICKNESS': 15, + 'MP_LIPIDS': 'DLPC', + 'MP_TEMPERATURE': 20.0, + 'MP_PH': -1.0, + 'BENCH_MP_REPACK': 8.0, + 'BENCH_MP_REPEAT': 5, + 'BENCH_MP_RELAX_REPEAT': 5, + 'BENCH_MP_RELAX_STRUCS': 20, + 'MP_IGNORE_RELAX_MP_FLAGS': False, + 'MP_ENERGY_FUNC': 'franklin2019', + 'MP_ENERGY_FUNC_WEIGHTS': os.path.join(rosetta_paths.path_to_data, 'mp', 'f19_cart_1.5.wts'), + 'MP_REPACK_PROTOCOL': 'MP_flex_relax_ddG', + 'MP_MULTISTRUC_PROTOCOL': 0 , + 'MP_CART_DDG': 1, + } + input_args = Namespace(**inputdict) + self.create = run_pipeline.predict_stability(input_args) + + # runs the test + self.create + + # evaluates the test + skip_files = [ + 'logs/info.log', + 'plot.png', + 'mutation_clean.txt', + ] + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.output_dir, new_val='\n', old_val='VERSION.*\n') + output_dic = {} + for r, d, f in os.walk(self.output_dir): + for file in f: + file_join = os.path.join(r, file) + # skip specific files + skip=False + for skip_file in skip_files: + if file_join.endswith(skip_file): + skip=True + if skip==False: + parent_directory = r.split(self.output_dir)[1] + # remove local paths within files + if not file.startswith('.'): + with open(file_join, 'r') as fp: + file_read = fp.read() + for elem in [self.output_dir, PARENT_DIR, rosetta_paths.ddG_pipeline, + rosetta_paths.Rosetta_main_path, rosetta_paths.Rosetta_tools_path, + rosetta_paths.Rosetta_database_path, rosetta_paths.Rosetta_extension]: + file_read = file_read.replace(elem, '') + output_dic[os.path.join( + parent_directory, file)] = file_read + + reference_dic = {} + elem = [self.output_dir, PARENT_DIR, rosetta_paths.ddG_pipeline, + rosetta_paths.Rosetta_main_path, rosetta_paths.Rosetta_tools_path, + rosetta_paths.Rosetta_database_path, rosetta_paths.Rosetta_extension] + clean_reference_from_local_path(self.reference_dir, elem) + clean_version(self.reference_dir, new_val='XXXtagvXXX') + clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + clean_version(self.reference_dir, new_val='\n', old_val='VERSION.*\n') for r, d, f in os.walk(self.reference_dir): for file in f: file_join = os.path.join(r, file) @@ -542,6 +713,9 @@ def test_create_homodimer_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - + # print('test_create_deepTMHMM_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) self.assertDictEqual(output_dic, reference_dic) From e068038f9680f09121ae36a215ab1e274c387204 Mon Sep 17 00:00:00 2001 From: j0kaso Date: Tue, 12 Jul 2022 12:34:24 +0200 Subject: [PATCH 3/7] [test-stability] update tests --- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/rosetta_ddg.sbatch | 6 +++++- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/rosetta_ddg.sbatch | 6 +++++- .../ref_ddG.txt | 14 +++++++------- .../rosetta_ddG_pipeline/test/test_sp_pipeline.py | 14 ++++++++++++-- 6 files changed, 31 insertions(+), 13 deletions(-) diff --git a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch index 7e6a7db..f93ea56 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 4M6J A SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True XXXtagvXXX /prepare/cleaning False 2.9 \ No newline at end of file +python3 /parser_ddg_v2.py 4M6J A SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning False 2.9 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/rosetta_ddg.sbatch index 5b60211..a8cbc13 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/rosetta_ddg.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/rosetta_ddg.sbatch @@ -11,4 +11,8 @@ INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) echo $INDEX # launching rosetta -bin/cartesian_ddg. -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID @/ddG/input/ddg_flagfile -ddg::dump_pdbs 0 \ No newline at end of file +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID @/ddG/input/ddg_flagfile -ddg::dump_pdbs 0 +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch index 7e6a7db..f93ea56 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 4M6J A SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True XXXtagvXXX /prepare/cleaning False 2.9 \ No newline at end of file +python3 /parser_ddg_v2.py 4M6J A SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning False 2.9 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch index 5b60211..a8cbc13 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/rosetta_ddg.sbatch @@ -11,4 +11,8 @@ INDEX=$((OFFSET+SLURM_ARRAY_TASK_ID)) echo $INDEX # launching rosetta -bin/cartesian_ddg. -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID @/ddG/input/ddg_flagfile -ddg::dump_pdbs 0 \ No newline at end of file +if test -f "/ddG/input/input.pdb"; then + bin/cartesian_ddg. -s /ddG/input/input.pdb -ddg:mut_file ${LST[$INDEX]} -out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID @/ddG/input/ddg_flagfile -ddg::dump_pdbs 0 +else + echo "/ddG/input/input.pdb does not exist - exiting the call" +fi diff --git a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineFullrunDHFRTestCase_rosettamutfile/ref_ddG.txt b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineFullrunDHFRTestCase_rosettamutfile/ref_ddG.txt index bf1a696..a931613 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineFullrunDHFRTestCase_rosettamutfile/ref_ddG.txt +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineFullrunDHFRTestCase_rosettamutfile/ref_ddG.txt @@ -1,7 +1,7 @@ -variant,2021-05-20-22-09,2021-05-21-08-58,2021-05-21-19-07,2021-06-06-19-31,2021-06-06-23-15,2021-06-07-03-36,2022-03-10-09-27,2022-03-11-15-18,2022-03-14-16-34,2022-03-15-09-47,2022-05-16-21-07 -E60=,0.0,3.920235783504001e-14,-2.613491020819758e-14,1.3067446069080687e-14,3.920235783504001e-14,2.6134765647907922e-14,0.0,0.0,2.613491020819758e-14,0.0,0.0 -E60Q,0.9821839080459592,0.8603448275862476,0.9755172413792804,0.9888505747126382,0.888620689655211,0.9895402298850878,0.5182758620689802,0.5127586206896436,0.6889655172413957,0.6362068965517336,0.6855172413792906 -L77F,1.603333333333354,1.1287356321838875,1.5139080459770302,1.6506896551723866,1.04402298850577,1.667931034482768,1.2991954022988763,1.0589655172413623,0.8096551724137911,1.3148275862068797,0.4533333333333287 -L77=,0.0,-1.3067382823953958e-14,1.3067382823953958e-14,-3.920235783504001e-14,1.3067446069080687e-14,0.0,1.306745510409879e-14,-1.3067382823953958e-14,-1.306745510409879e-14,0.0,0.0 -D150=,1.3067382823953958e-14,2.613491020819758e-14,-3.9202437592441207e-14,1.3067418964026375e-14,-1.306745510409879e-14,3.920235783504001e-14,-1.306745510409879e-14,-1.3067446069080687e-14,-1.306745510409879e-14,0.0,0.0 -D150V,0.7051724137931284,0.7051724137931284,0.6371264367815577,0.7052873563218484,0.705747126436767,0.7096551724138299,0.694367816091921,0.5572413793103399,0.7412643678160608,0.5017241379310486,0.7416091954022855 +variant,2021-05-20-22-09,2021-05-21-08-58,2021-05-21-19-07,2021-06-06-19-31,2021-06-06-23-15,2021-06-07-03-36,2022-03-10-09-27,2022-03-11-15-18,2022-03-14-16-34,2022-03-15-09-47,2022-05-16-21-07,2022-07-08-09-40 +E60=,0.0,3.920235783504001e-14,-2.613491020819758e-14,1.3067446069080687e-14,3.920235783504001e-14,2.613476564790792e-14,0.0,0.0,2.613491020819758e-14,0.0,0.0,0.0 +E60Q,0.9821839080459592,0.8603448275862476,0.9755172413792804,0.9888505747126382,0.888620689655211,0.9895402298850878,0.5182758620689802,0.5127586206896436,0.6889655172413957,0.6362068965517336,0.6855172413792906,0.6362068965517336 +L77F,1.603333333333354,1.1287356321838875,1.5139080459770302,1.6506896551723866,1.04402298850577,1.667931034482768,1.2991954022988763,1.0589655172413623,0.8096551724137911,1.3148275862068797,0.4533333333333287,1.3165517241379123 +L77=,0.0,-1.3067382823953958e-14,1.3067382823953958e-14,-3.920235783504001e-14,1.3067446069080687e-14,0.0,1.306745510409879e-14,-1.3067382823953958e-14,-1.306745510409879e-14,0.0,0.0,0.0 +D150=,1.3067382823953958e-14,2.613491020819758e-14,-3.9202437592441207e-14,1.3067418964026375e-14,-1.306745510409879e-14,3.920235783504001e-14,-1.306745510409879e-14,-1.3067446069080687e-14,-1.306745510409879e-14,0.0,0.0,0.0 +D150V,0.7051724137931284,0.7051724137931284,0.6371264367815577,0.7052873563218484,0.705747126436767,0.7096551724138299,0.694367816091921,0.5572413793103399,0.7412643678160608,0.5017241379310486,0.7416091954022855,0.5017241379310486 diff --git a/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py b/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py index 49db1a7..f333af2 100644 --- a/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py +++ b/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py @@ -150,7 +150,8 @@ def test_create_rosettamutfile_prov_flag(self): # evaluates the test skip_files = [ - 'logs/info.log', 'span.log', 'parse_ddgs.sbatch', + 'logs/info.log', + 'span.log', ] output_dic = {} @@ -198,6 +199,10 @@ def test_create_rosettamutfile_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None + # print('test_create_rosettamutfile_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) self.assertDictEqual(output_dic, reference_dic) @@ -258,7 +263,8 @@ def test_create_ligand_prov_flag(self): # evaluates the test skip_files = [ - 'logs/info.log', 'span.log', 'parse_ddgs.sbatch', + 'logs/info.log', + 'span.log', ] output_dic = {} @@ -306,4 +312,8 @@ def test_create_ligand_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None + # print('test_create_ligand_prov_flag') + # for key in output_dic.keys(): + # if output_dic[key]!=reference_dic[key]: + # print(key) self.assertDictEqual(output_dic, reference_dic) From 2b9f52d8cdc451245563a031cb200b8d31c6697f Mon Sep 17 00:00:00 2001 From: j0kaso Date: Tue, 12 Jul 2022 12:48:26 +0200 Subject: [PATCH 4/7] [mp-stability] add superpositioning based on span file --- .../rosetta_ddG_pipeline/args_pipeline.py | 3 +- software/rosetta_ddG_pipeline/mp_prepare.py | 77 ++++++++++++++++--- software/rosetta_ddG_pipeline/run_pipeline.py | 14 +++- 3 files changed, 80 insertions(+), 14 deletions(-) diff --git a/software/rosetta_ddG_pipeline/args_pipeline.py b/software/rosetta_ddG_pipeline/args_pipeline.py index 653b8d1..1b6b8fe 100644 --- a/software/rosetta_ddG_pipeline/args_pipeline.py +++ b/software/rosetta_ddG_pipeline/args_pipeline.py @@ -164,13 +164,14 @@ def parse_args2(): ) ) parser.add_argument('--mp_prep_align_mode', - choices=['False', 'OPM', 'PDBTM', + choices=['False', 'OPM', 'span', 'PDBTM', 'TMDET', 'MemProtMD'], default='OPM', dest='MP_ALIGN_MODE', help=('Function/mode to align the membrane protein structure:\n' '\tFalse: structure will not be rearranged \n' '\tOPM: uses the information provided in OPM \n' + '\tspan: positiones the structure based on the information in span file \n' '\tPDBTM: uses the information provided in PDBTM (better than OPM but not tested) \n' '\tTMDET: uses the information provided in TMDET \n' '\tMemProtMD: uses the information provided in MemProtMD \n' diff --git a/software/rosetta_ddG_pipeline/mp_prepare.py b/software/rosetta_ddG_pipeline/mp_prepare.py index 45a1922..b23dc66 100644 --- a/software/rosetta_ddG_pipeline/mp_prepare.py +++ b/software/rosetta_ddG_pipeline/mp_prepare.py @@ -57,7 +57,6 @@ def get_ref_struc(keyword): bio_ref_struc_raw = parser.get_structure( "reference", io.StringIO(ref_struc)) bio_target_struc_raw = parser.get_structure("target", target) - #get sequence info about TM region and where best to align if inTM: @@ -67,6 +66,14 @@ def get_ref_struc(keyword): seq1, seq1num, maxi1 = get_seq(target, isfile=True) seq2, seq2num, maxi2 = get_seq(ref_struc, isfile=False) + + superpose_struc(bio_ref_struc_raw, bio_target_struc_raw, ref_align_atoms, + seq1, seq1num, maxi1, seq2, seq2num, maxi2, filename, target_chain=target_chain, ref_chain=ref_chain, + ref_model_id=ref_model_id, target_model_id=target_model_id, write_opm=write_opm) + +def superpose_struc(bio_ref_struc_raw, bio_target_struc_raw, ref_align_atoms, + seq1, seq1num, maxi1, seq2, seq2num, maxi2, filename, target_chain='A',ref_chain='A', + ref_model_id=0, target_model_id=0, write_opm=True): seq1 = Seq(seq1) seq2 = Seq(seq2) alignments = pairwise2.align.globalxx(seq1, seq2) @@ -81,12 +88,12 @@ def get_ref_struc(keyword): seqnum2 = getnums(seq2, seq2num) df = pd.DataFrame(np.array([seq1, seqnum1, seq2, seqnum2]).T, columns=['infile', 'infile_num', 'opm', 'opm_num']) + df['infile_num'] = df['infile_num'].astype(int) + df['opm_num'] = df['opm_num'].astype(int) target_align_atoms = [] for res in ref_align_atoms: - target_align_atoms.append(df.loc[(df['opm_num']==res), 'infile_num'].tolist()[0]) - - + target_align_atoms.append(df.loc[(df['opm_num']==int(res)), 'infile_num'].tolist()[0]) # Select the model number - normally always the first @@ -161,6 +168,56 @@ def get_ref_struc(keyword): print(f"Aligned structure saved") +def mp_superpose_span(pdbinput, outdir_path, span_file_list, filename, SLURM=False, chain='A'): + """ + Calculates the residues which are accessible by lipids. + Rosetta scripts used: mp_lipid_acc + Cite: Koehler Leman, Lyskov, & Bonneau (2017) BMC Bioinformatics (https://doi.org/10.1186/s12859-017-1541-z) + Documentation: https://www.rosettacommons.org/docs/latest/application_documentation/membrane_proteins/RosettaMP-App-MPSpanFromPDB + """ + spanfile = span_file_list[0] + Rosetta_lipacc_exec = os.path.join( + rosetta_paths.path_to_rosetta, f'bin/mp_transform.{rosetta_paths.Rosetta_extension}') + lipacc_command = (f'{Rosetta_lipacc_exec} ' + f'-in:file:s {pdbinput} ' + f'-database {rosetta_paths.Rosetta_database_path} ' + f'-mp:setup:spanfiles {spanfile} ' + '-restore_talaris_behavior -mp:scoring:hbond true -mp:restore_lazaridis_imm_behavior 1' + '') + print(f"MP_transform call function: {lipacc_command}") + + if SLURM: + logger.warn("need to write the slurm script!") + sys.exit() + lipacc_call = subprocess.Popen('sbatch rosetta_lipacc.sbatch', stdout=subprocess.PIPE, + stderr=subprocess.STDOUT, shell=True, cwd=outdir_path) + lipacc_process_id_info = lipacc_call.communicate() + lipacc_process_id = str(lipacc_process_id_info[0]).split()[3][0:-3] + print(lipacc_process_id_info) + else: + lipacc_call = subprocess.Popen( + lipacc_command, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, shell=True, cwd=outdir_path) + lipacc_process_id_info = lipacc_call.communicate() + + ref_struc = glob.glob(os.path.join(outdir_path, '*.pdb'))[0] + + + # Parse reference (from string) and target structure (from file) + parser = PDB.PDBParser(QUIET=True) + bio_ref_struc_raw = parser.get_structure("reference", ref_struc) + bio_target_struc_raw = parser.get_structure("target", pdbinput) + #get sequence info about TM region and where best to align + + ref_align_atoms = get_res_in_all(ref_struc, isfile=True) + + seq1, seq1num, maxi1 = get_seq(pdbinput, isfile=True) + seq2, seq2num, maxi2 = get_seq(ref_struc, isfile=True) + + superpose_struc(bio_ref_struc_raw, bio_target_struc_raw, ref_align_atoms, + seq1, seq1num, maxi1, seq2, seq2num, maxi2, filename, target_chain=chain, ref_chain=chain, + ref_model_id=0, target_model_id=0, write_opm=False) + + def mp_span_from_deepTMHMM(pdbinput, outdir_path): spanfiles = [] @@ -219,21 +276,17 @@ def mp_span_from_deepTMHMM(pdbinput, outdir_path): non_tm = ['outside', 'inside', 'periplasm', 'signal'] tm = ['Beta sheet', 'TMhelix'] TM_df = df.loc[~df['location'].isin(non_tm)] + num_span = len(TM_df['start']) # get info about structure - if ('Beta sheet' in TM_df['location'].unique()) and (not 'TMhelix' in TM_df['location'].unique()): - order = 'antiparallel' - elif ('transmem' in TM_df['location'].unique()) and (not 'Beta sheet' in TM_df['location'].unique()): - order = 'transmem' - else: - order = 'others' + order = 'antiparallel' # parallel possible - not sure how to calculate - only possible for n1c (horizontal) # write span file span_file = os.path.join(outdir_path, f"{os.path.splitext(os.path.basename(pdbinput))[0]}_{chain}.span") with open(span_file, 'w') as fp: fp.write('manual-generated spanfile from DeepTMHMM\n') - fp.write(f'1 {total_length}\n') - print(f'1 {total_length}\n') + fp.write(f'{num_span} {total_length}\n') + print(f'num_span {total_length}\n') fp.write(f'{order}\n') fp.write('n2c\n') for index, row in TM_df.iterrows(): diff --git a/software/rosetta_ddG_pipeline/run_pipeline.py b/software/rosetta_ddG_pipeline/run_pipeline.py index b7bbb1d..1be0f79 100644 --- a/software/rosetta_ddG_pipeline/run_pipeline.py +++ b/software/rosetta_ddG_pipeline/run_pipeline.py @@ -88,7 +88,7 @@ def predict_stability(args): run_name = 'input' # adjust mp structure if MP_ALIGN_MODE is selected - if args.IS_MP == True and args.MP_ALIGN_MODE != 'False': + if args.IS_MP == True and (not args.MP_ALIGN_MODE in ['False', 'span']): logger.info(f'Align the structure along the membrane using {args.MP_CALC_SPAN_MODE}') if args.MP_ALIGN_MODE == 'OPM': if args.MP_ALIGN_REF != '-': @@ -155,6 +155,18 @@ def predict_stability(args): structure_instance.span = create_copy( input_dict['MP_SPAN_INPUT'], folder.prepare_mp_span, name='input.span') + + # superpose if span mode on + if args.MP_ALIGN_MODE == 'span': + logger.info(f'Superpositioning based on span file') + run_name = 'input_mp_aligned' + prep_struc = create_copy( + structure_instance.path_to_cleaned_pdb, folder.prepare_cleaning, name='backup.pdb') + structure_instance.path_to_cleaned_pdb = os.path.join(folder.prepare_mp_superpose, 'superposed_struc.pdb') + mp_prepare.mp_superpose_span(prep_struc, folder.prepare_mp_superpose, structure_instance.span, + structure_instance.path_to_cleaned_pdb, chain=args.CHAIN) + + logger.info(f'Calculate lipid accessible residues') lipacc_dic, lipacc_file = mp_prepare.mp_lipid_acc_resi(structure_instance.path_to_cleaned_pdb, folder.prepare_mp_lipacc, folder.prepare_mp_span, thickness=args.MP_THICKNESS, SLURM=False) From 0959947e2021ce871850db99e28aa8e17f1c847c Mon Sep 17 00:00:00 2001 From: j0kaso Date: Tue, 12 Jul 2022 12:49:16 +0200 Subject: [PATCH 5/7] [mp-stability] bugfix submit loop --- software/rosetta_ddG_pipeline/mp_ddG.py | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/software/rosetta_ddG_pipeline/mp_ddG.py b/software/rosetta_ddG_pipeline/mp_ddG.py index 01bbb61..a9e272d 100644 --- a/software/rosetta_ddG_pipeline/mp_ddG.py +++ b/software/rosetta_ddG_pipeline/mp_ddG.py @@ -116,8 +116,9 @@ def rosetta_ddg_mp_pyrosetta(folder_ddG_input, folder_ddG_run, mut_dict, SLURM=T echo $INDEX # launching rosetta +if test -f "{input_struc}"; then ''') - fp.write((f'{os.path.join(rosetta_paths.path_to_rosetta, f"bin/cartesian_ddg.{rosetta_paths.Rosetta_extension}")} ' + fp.write((f'\t{os.path.join(rosetta_paths.path_to_rosetta, f"bin/cartesian_ddg.{rosetta_paths.Rosetta_extension}")} ' f'-database {rosetta_paths.Rosetta_database_path} ' f'-s {input_struc} ' f'-ddg:mut_file ${{LST[$INDEX]}} ' @@ -136,6 +137,10 @@ def rosetta_ddg_mp_pyrosetta(folder_ddG_input, folder_ddG_run, mut_dict, SLURM=T f'-ddg:bbnbrs 1 ' f'-ddg::cartesian ' f'-out:prefix ddg-$SLURM_ARRAY_JOB_ID-$SLURM_ARRAY_TASK_ID '))#@{path_to_ddgflags} ')) + fp.write(f'''\nelse +\techo "{input_struc} does not exist - exiting the call" +fi +''') logger.info(path_to_sbatch) return path_to_sbatch From fccf1fab3bd05cf5d13612387261315f134a7058 Mon Sep 17 00:00:00 2001 From: j0kaso Date: Fri, 15 Jul 2022 15:29:03 +0200 Subject: [PATCH 6/7] [stability-pipeline] add new deepTMHMM tests and update the scientific one for the mp pipeline --- .../ddG/input/parse_ddgs.sbatch | 2 +- .../input/spanfiles/input_A_A_deepTMHMM.csv | 14 + .../membrane_span/input_A_A_deepTMHMM.csv | 14 + .../output/spanfiles/input_A_A_deepTMHMM.csv | 14 + .../input/spanfiles/input_A_A_deepTMHMM.csv | 14 + .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/parse_ddgs.sbatch | 2 +- .../GlpG_cutoffs.txt | 10 + .../ref_ddG.txt | 308 +++++++++--------- .../ddG/input/parse_ddgs.sbatch | 2 +- .../ddG/input/parse_ddgs.sbatch | 2 +- software/rosetta_ddG_pipeline/test/README.md | 2 + .../test/sci_test_mp_pipeline.py | 6 +- .../test/test_mp_pipeline.py | 50 +-- .../test/test_sp_pipeline.py | 18 +- 17 files changed, 272 insertions(+), 192 deletions(-) create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A_deepTMHMM.csv create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A_deepTMHMM.csv create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A_deepTMHMM.csv create mode 100644 software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A_deepTMHMM.csv diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch index 72af4af..bc36c0b 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file +python3XXXtagvXXX1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A_deepTMHMM.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A_deepTMHMM.csv new file mode 100644 index 0000000..cb83ff7 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/ddG/input/spanfiles/input_A_A_deepTMHMM.csv @@ -0,0 +1,14 @@ +,ID,location,start,end,4,5,6,7 +0,input,inside,1,5,,,, +1,input,TMhelix,6,24,,,, +2,input,outside,25,51,,,, +3,input,TMhelix,52,72,,,, +4,input,inside,73,78,,,, +5,input,TMhelix,79,99,,,, +6,input,outside,100,101,,,, +7,input,TMhelix,102,122,,,, +8,input,inside,123,132,,,, +9,input,TMhelix,133,155,,,, +10,input,outside,156,159,,,, +11,input,TMhelix,160,180,,,, +12,input,inside,181,182,,,, diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A_deepTMHMM.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A_deepTMHMM.csv new file mode 100644 index 0000000..cb83ff7 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/mp_files/membrane_span/input_A_A_deepTMHMM.csv @@ -0,0 +1,14 @@ +,ID,location,start,end,4,5,6,7 +0,input,inside,1,5,,,, +1,input,TMhelix,6,24,,,, +2,input,outside,25,51,,,, +3,input,TMhelix,52,72,,,, +4,input,inside,73,78,,,, +5,input,TMhelix,79,99,,,, +6,input,outside,100,101,,,, +7,input,TMhelix,102,122,,,, +8,input,inside,123,132,,,, +9,input,TMhelix,133,155,,,, +10,input,outside,156,159,,,, +11,input,TMhelix,160,180,,,, +12,input,inside,181,182,,,, diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A_deepTMHMM.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A_deepTMHMM.csv new file mode 100644 index 0000000..cb83ff7 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/prepare/output/spanfiles/input_A_A_deepTMHMM.csv @@ -0,0 +1,14 @@ +,ID,location,start,end,4,5,6,7 +0,input,inside,1,5,,,, +1,input,TMhelix,6,24,,,, +2,input,outside,25,51,,,, +3,input,TMhelix,52,72,,,, +4,input,inside,73,78,,,, +5,input,TMhelix,79,99,,,, +6,input,outside,100,101,,,, +7,input,TMhelix,102,122,,,, +8,input,inside,123,132,,,, +9,input,TMhelix,133,155,,,, +10,input,outside,156,159,,,, +11,input,TMhelix,160,180,,,, +12,input,inside,181,182,,,, diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A_deepTMHMM.csv b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A_deepTMHMM.csv new file mode 100644 index 0000000..cb83ff7 --- /dev/null +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_deepTMHMM/relax/input/spanfiles/input_A_A_deepTMHMM.csv @@ -0,0 +1,14 @@ +,ID,location,start,end,4,5,6,7 +0,input,inside,1,5,,,, +1,input,TMhelix,6,24,,,, +2,input,outside,25,51,,,, +3,input,TMhelix,52,72,,,, +4,input,inside,73,78,,,, +5,input,TMhelix,79,99,,,, +6,input,outside,100,101,,,, +7,input,TMhelix,102,122,,,, +8,input,inside,123,132,,,, +9,input,TMhelix,133,155,,,, +10,input,outside,156,159,,,, +11,input,TMhelix,160,180,,,, +12,input,inside,181,182,,,, diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch index 2a2270f..eff72d3 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_homodimer/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py homodimer-1afo_renum_uniquechain A VQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKKVQLAHHFSEPEITLIIFGVMAGVIGTILLISYGIRRLIKK /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file +python3XXXtagvXXX1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch index 72af4af..bc36c0b 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_mutdir/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file +python3XXXtagvXXX1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch index 72af4af..bc36c0b 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_pipemutfile/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file +python3XXXtagvXXX1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch index 72af4af..bc36c0b 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineCreateGlpGTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 6xro_final_renum A ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPWFGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning True 1 \ No newline at end of file +python3XXXtagvXXX1 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt index 85751eb..61bb86c 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/GlpG_cutoffs.txt @@ -59,3 +59,13 @@ date,exp,corr,slope,intercept,count 2022-07-08-09-39,ddG_sds_07_01,0.239,0.2,0.087,8 2022-07-08-09-39,ddG_unf_08_01,-1.0,-3.804,3.658,2 2022-07-08-09-39,all,0.158,0.536,4.13,161 +2022-07-15-15-26,ddG_unf_00_01,-0.032,-0.089,-4.826,6 +2022-07-15-15-26,ddG_unf_01_01,-0.72,-0.996,-3.175,3 +2022-07-15-15-26,ddG_kin_02_01,0.278,1.783,3.688,67 +2022-07-15-15-26,ddG_03_01,0.361,4.403,1.252,27 +2022-07-15-15-26,ddG_unf_04_01,0.603,2.984,-1.582,20 +2022-07-15-15-26,ddG_unf_05_01,0.767,5.597,-3.135,20 +2022-07-15-15-26,ddG_sds_06_01,0.136,0.123,-0.113,8 +2022-07-15-15-26,ddG_sds_07_01,0.22,0.175,-0.207,8 +2022-07-15-15-26,ddG_unf_08_01,-1.0,-3.954,3.048,2 +2022-07-15-15-26,all,0.154,0.496,3.773,161 diff --git a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt index 7a470c6..a0036e8 100644 --- a/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt +++ b/software/rosetta_ddG_pipeline/data/test/mp-pipeline/output/MPpipelineFullrunGlpGTestCase_rosettamutfile/ref_ddG.txt @@ -1,154 +1,154 @@ -variant,2022-03-10-10-15,2022-03-14-10-06,2022-03-14-16-33,2022-03-15-09-44,2022-05-17-07-19,2022-07-08-09-40 -V6A:M10A,13.618,13.422,12.994,13.199,13.413,12.882 -T7A,0.39,0.986,0.25,0.284,1.056,1.239 -T7A:S81A,-1.648,-0.971,-1.887,-1.796,-1.024,-1.447 -T7A:E76A:S81A,1.488,2.471,3.759,2.916,1.782,3.387 -T7A:E76A,6.034,6.945,6.97,6.113,6.958,6.595 -M10A,6.722,6.46,6.796,6.829,6.543,6.345 -M11A:F18A,17.909,18.139,19.551,19.329,18.132,17.438 -M11A:F18A:I61A:L65A,36.89,37.133,38.491,38.489,37.136,35.235 -C14A,1.78,1.779,1.747,1.764,1.768,1.997 -C14V,-0.079,-0.166,0.397,0.179,-0.176,-0.5 -M21A,8.789,8.691,8.546,8.552,8.819,8.438 -Q22A,-0.81,-0.81,-0.82,-0.806,-0.805,-0.697 -M30A,4.934,5.172,4.798,4.836,4.747,4.623 -L31A:F37A,12.249,12.178,12.408,12.412,12.259,12.574 -L31A:F37A:W106A,18.04,17.967,17.949,17.806,18.05,17.754 -L33A,8.791,8.753,8.892,8.869,8.776,9.439 -F43A:F45A,9.126,9.14,9.018,8.62,9.141,5.995 -F43A:F45A:F49A,23.211,23.075,22.953,22.789,23.186,19.675 -E44A,0.284,0.717,0.161,0.297,0.29,2.001 -E44A:R47A,2.968,2.821,0.238,3.824,3.001,5.4 -W46A,5.158,5.037,4.954,4.862,5.192,4.511 -W46F,-2.302,-2.226,-2.003,-2.01,-2.292,-1.082 -W46H,7.994,7.838,7.886,7.766,7.993,9.254 -W46Y,-2.442,-2.556,-2.598,-2.609,-2.449,-1.624 -R47A,7.835,8.069,7.897,7.956,7.904,8.158 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b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch index f93ea56..9c6ce91 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_ligand/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 4M6J A SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning False 2.9 \ No newline at end of file +python3XXXtagvXXX2.9 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch index f93ea56..9c6ce91 100644 --- a/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch +++ b/software/rosetta_ddG_pipeline/data/test/sp-pipeline/output/SPpipelineCreateDHFRTestCase_rosettamutfile/ddG/input/parse_ddgs.sbatch @@ -6,4 +6,4 @@ #SBATCH --partition=sbinlab #This sbatch script launches the parse parse_rosetta_ddgs function, from the parse_cartesian_ddgs -python3 /parser_ddg_v2.py 4M6J A SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND /ddG/run /ddG/output /prepare/checking/structure_input.json /ddG/input /output /prepare/checking False True 351877c0dacd5079cbde563e4c1e1c93f621a253tagv0.2.2-9-g351877c /prepare/cleaning False 2.9 \ No newline at end of file +python3XXXtagvXXX2.9 \ No newline at end of file diff --git a/software/rosetta_ddG_pipeline/test/README.md b/software/rosetta_ddG_pipeline/test/README.md index 6fc4f5d..6a4f0ff 100644 --- a/software/rosetta_ddG_pipeline/test/README.md +++ b/software/rosetta_ddG_pipeline/test/README.md @@ -47,6 +47,8 @@ Running individual classes or methods > python -m unittest test_mp_pipeline.MPpipelineCreateGlpGTestCase.test_create_homodimer_prov_flag +> python -m unittest test_mp_pipeline.MPpipelineCreateGlpGTestCase.test_create_deepTMHMM_prov_flag + Please expect some waiting time for the last test. diff --git a/software/rosetta_ddG_pipeline/test/sci_test_mp_pipeline.py b/software/rosetta_ddG_pipeline/test/sci_test_mp_pipeline.py index fcff4c9..cc34884 100644 --- a/software/rosetta_ddG_pipeline/test/sci_test_mp_pipeline.py +++ b/software/rosetta_ddG_pipeline/test/sci_test_mp_pipeline.py @@ -100,9 +100,9 @@ def test_a_fullrun_rosettamutfile_prov_flag(self): 'VERBOSE': False, 'IS_MP': True, 'MP_SPAN_INPUT': None, - 'MP_CALC_SPAN_MODE': 'DSSP', - 'MP_ALIGN_REF': '6xro_A', - 'MP_ALIGN_MODE': 'OPM', + 'MP_CALC_SPAN_MODE': 'deepTMHMM', #'DSSP', + 'MP_ALIGN_REF': '-', #'6xro_A', + 'MP_ALIGN_MODE': 'span', #'OPM', 'SUPERPOSE_ONTM': True, 'DDG_FLAG_FILE': os.path.join(rosetta_paths.path_to_data, 'sp', 'cartesian_ddg_flagfile'), 'RELAX_FLAG_FILE': os.path.join(rosetta_paths.path_to_data, 'sp', 'relax_flagfile'), diff --git a/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py b/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py index 0dc4802..c85e24b 100644 --- a/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py +++ b/software/rosetta_ddG_pipeline/test/test_mp_pipeline.py @@ -2,7 +2,7 @@ Author: Johanna K.S. Tiemann -Date of last major changes: 2020-04-29 +Date of last major changes: 2022-07-14 How to run all tests: ======= @@ -57,7 +57,7 @@ def clean_reference_from_local_path(dir_name, local_path): fp.write(s) -def clean_version(dir_name, new_val='XXXtagvXXX', old_val=' *tagv* '): +def clean_version(dir_name, new_val='XXXtagvXXX', old_val=' .*tagv.* '): for dname, dirs, files in os.walk(dir_name): for fname in files: if (not fname.startswith('.')) and (not fname.endswith('.png')): @@ -196,8 +196,8 @@ def test_create_rosettamutfile_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') - clean_version(self.reference_dir, new_val='', old_val='HEADER *') - clean_version(self.reference_dir, new_val='', old_val='REMARK *') + clean_version(self.reference_dir, new_val='\n', old_val='HEADER .*\n') + clean_version(self.reference_dir, new_val='\n', old_val='REMARK .*\n') clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) clean_version(self.reference_dir, new_val='\n', old_val='VERSION.*\n') @@ -217,10 +217,10 @@ def test_create_rosettamutfile_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - # print('test_create_rosettamutfile_prov_flag') - # for key in output_dic.keys(): - # if output_dic[key]!=reference_dic[key]: - # print(key) + print('test_create_rosettamutfile_prov_flag') + for key in output_dic.keys(): + if output_dic[key]!=reference_dic[key]: + print(key) self.assertDictEqual(output_dic, reference_dic) @@ -342,10 +342,10 @@ def test_create_pipemut_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - # print('test_create_pipemut_prov_flag') - # for key in output_dic.keys(): - # if output_dic[key]!=reference_dic[key]: - # print(key) + print('test_create_pipemut_prov_flag') + for key in output_dic.keys(): + if output_dic[key]!=reference_dic[key]: + print(key) self.assertDictEqual(output_dic, reference_dic) @@ -469,10 +469,10 @@ def test_create_mutdir_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - # print('test_create_mutdir_prov_flag') - # for key in output_dic.keys(): - # if output_dic[key]!=reference_dic[key]: - # print(key) + print('test_create_mutdir_prov_flag') + for key in output_dic.keys(): + if output_dic[key]!=reference_dic[key]: + print(key) self.assertDictEqual(output_dic, reference_dic) @@ -594,10 +594,10 @@ def test_create_homodimer_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - # print('test_create_homodimer_prov_flag') - # for key in output_dic.keys(): - # if output_dic[key]!=reference_dic[key]: - # print(key) + print('test_create_homodimer_prov_flag') + for key in output_dic.keys(): + if output_dic[key]!=reference_dic[key]: + print(key) self.assertDictEqual(output_dic, reference_dic) @@ -618,7 +618,7 @@ def test_create_deepTMHMM_prov_flag(self): 'RUN_STRUC': None, 'LIGAND': None, 'OVERWRITE_PATH': True, - 'SLURM_PARTITION': 'sbinlab', + 'SLURM_PARTITION': 'sbinlab_ib', 'GAPS_OUTPUT': False, 'DUMP_PDB': 0, 'DO_CHECKING': True, @@ -713,9 +713,9 @@ def test_create_deepTMHMM_prov_flag(self): reference_dic[os.path.join( parent_directory, file)] = fp.read() self.maxDiff = None - # print('test_create_deepTMHMM_prov_flag') - # for key in output_dic.keys(): - # if output_dic[key]!=reference_dic[key]: - # print(key) + print('test_create_deepTMHMM_prov_flag') + for key in output_dic.keys(): + if output_dic[key]!=reference_dic[key]: + print(key) self.assertDictEqual(output_dic, reference_dic) diff --git a/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py b/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py index f333af2..7304795 100644 --- a/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py +++ b/software/rosetta_ddG_pipeline/test/test_sp_pipeline.py @@ -2,7 +2,7 @@ Author: Johanna K.S. Tiemann -Date of last major changes: 2022-03-11 +Date of last major changes: 2022-07-14 How to run all tests: ======= @@ -11,7 +11,9 @@ # Standard library imports from argparse import Namespace +from datetime import date import os +import re import shutil import sys import unittest @@ -55,7 +57,7 @@ def clean_reference_from_local_path(dir_name, local_path): fp.write(s) -def clean_version(dir_name, new_val='XXXtagvXXX'): +def clean_version(dir_name, new_val='XXXtagvXXX', old_val=' .*tagv.* '): for dname, dirs, files in os.walk(dir_name): for fname in files: if not fname.startswith('.'): @@ -63,7 +65,7 @@ def clean_version(dir_name, new_val='XXXtagvXXX'): s = '' with open(fpath, 'r') as fp: s = fp.read() - s = s.replace(' *tagv* ', new_val) + s = re.sub(old_val, new_val, s) with open(fpath, 'w') as fp: fp.write(s) @@ -154,6 +156,9 @@ def test_create_rosettamutfile_prov_flag(self): 'span.log', ] + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) output_dic = {} for r, d, f in os.walk(self.output_dir): for file in f: @@ -183,6 +188,8 @@ def test_create_rosettamutfile_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') + clean_version(self.reference_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) + for r, d, f in os.walk(self.reference_dir): for file in f: file_join = os.path.join(r, file) @@ -267,6 +274,9 @@ def test_create_ligand_prov_flag(self): 'span.log', ] + today = date.today() + clean_version(self.output_dir, new_val='XXXtagvXXX') + clean_version(self.output_dir, new_val='', old_val=today.strftime("%d-%b-%y").upper()) output_dic = {} for r, d, f in os.walk(self.output_dir): for file in f: @@ -296,6 +306,8 @@ def test_create_ligand_prov_flag(self): clean_reference_from_local_path( self.reference_dir, elem) clean_version(self.reference_dir, new_val='XXXtagvXXX') + clean_version(self.reference_dir, new_val='\n', old_val=today.strftime("%d-%b-%y").upper()) + for r, d, f in os.walk(self.reference_dir): for file in f: file_join = os.path.join(r, file) From fca6e3b5b3a100a1d50cac1b0edec4bd484f9367 Mon Sep 17 00:00:00 2001 From: j0kaso Date: Fri, 15 Jul 2022 15:30:01 +0200 Subject: [PATCH 7/7] [mp-stability] add deepTM info into prism output files --- .../rosetta_ddG_pipeline/args_pipeline.py | 12 ++++++--- software/rosetta_ddG_pipeline/helper.py | 10 +++++--- software/rosetta_ddG_pipeline/mp_prepare.py | 11 +++++--- .../prism_rosetta_parser.py | 25 ++++++++++++++++++- 4 files changed, 47 insertions(+), 11 deletions(-) diff --git a/software/rosetta_ddG_pipeline/args_pipeline.py b/software/rosetta_ddG_pipeline/args_pipeline.py index 1b6b8fe..c544b0c 100644 --- a/software/rosetta_ddG_pipeline/args_pipeline.py +++ b/software/rosetta_ddG_pipeline/args_pipeline.py @@ -143,7 +143,7 @@ def parse_args2(): parser.add_argument('--mp_calc_span_mode', choices=['False', 'deepTMHMM', 'struc', 'DSSP', 'octopus', 'bcl', 'Boctopus'], - default='DSSP', + default='deepTMHMM', dest='MP_CALC_SPAN_MODE', help=('Function/mode to calculate the membrane spanning region/file:\n' '\tFalse: file will not be calculated \n' @@ -152,7 +152,7 @@ def parse_args2(): '\toctopus: uses octopus \n' '\tbcl: should be used for helix & beta sheets \n' '\tBoctopus: should be used for beta sheets \n' - 'Default value: DSSP' + 'Default value: deepTMHMM' ) ) parser.add_argument('--mp_align_ref', @@ -363,8 +363,12 @@ def parse_args2(): if (args.MP_ALIGN_MODE=='OPM') and (args.MP_ALIGN_REF == '-'): parser.error('Please specify a reference PDBid and chain for alginment into membrane plane or switch "MP_ALIGN_MODE" to false') sys.exit() - if args.MP_ALIGN_REF != '-': - args.MP_ALIGN_MODE='OPM' + if args.MP_CALC_SPAN_MODE == 'deepTMHMM': + args.MP_ALIGN_MODE = 'span' + args.MP_ALIGN_REF = '-' + else: + if args.MP_ALIGN_REF != '-': + args.MP_ALIGN_MODE='OPM' if args.MP_CART_DDG == 1: args.RELAX_XML_INPUT = os.path.join(rosetta_paths.path_to_data, 'mp', 'mp_cart_relax.xml') if args.MP_SPAN_INPUT != None: diff --git a/software/rosetta_ddG_pipeline/helper.py b/software/rosetta_ddG_pipeline/helper.py index 67ed8dd..4c5cf6f 100644 --- a/software/rosetta_ddG_pipeline/helper.py +++ b/software/rosetta_ddG_pipeline/helper.py @@ -572,9 +572,13 @@ def generate_output(folder, output_name='ddG.out', sys_name='', version=1, prism if MP: span_file = glob.glob(os.path.join(folder.prepare_checking[:-9], 'mp_files', 'membrane_span', '*.span'))[0] lipid_file = glob.glob(os.path.join(folder.prepare_checking[:-9], 'mp_files', 'mp_lipid_acc', '*.json'))[0] + deepTMHMM_file = glob.glob(os.path.join(folder.prepare_checking[:-9], 'mp_files', 'membrane_span', '**/*deepTMHMM.csv'), recursive=True) + if len(deepTMHMM_file)>0: + deepTMHMM_file = deepTMHMM_file[0] else: span_file = '' lipid_file = '' + deepTMHMM_file = '' ddg_file = os.path.join(folder.ddG_run, output_name) pdb_file_raw = os.path.join(folder.ddG_input, 'input.pdb') @@ -603,7 +607,7 @@ def generate_output(folder, output_name='ddG.out', sys_name='', version=1, prism prism_file = os.path.join(folder.ddG_output, f'prism_rosetta_{prism_nr}_{sys_name}.txt') rosetta_to_prism(ddg_sorted_file, prism_file, rosetta_seq, rosetta_info=None, version=version, sys_name=sys_name, first_residue_number=1, sha_tag=sha_tag, MP=MP, - span_file=span_file, lipid_file=lipid_file, scale=scale) + span_file=span_file, lipid_file=lipid_file, deepTMHMM_file=deepTMHMM_file, scale=scale) create_copy(prism_file, folder.output) create_copy(pdb_file, folder.output, name=f'{sys_name}_final.pdb') @@ -624,7 +628,7 @@ def generate_output(folder, output_name='ddG.out', sys_name='', version=1, prism ddG_postprocessing(ddg_file, ddg_shifted_gap_file, sec_all=sec_all, startnr=first_residue_number, chain_id=chain_id) rosetta_to_prism(ddg_shifted_gap_file, prism_gap_shifted_file, sequence, rosetta_info=None, version=version, sys_name=sys_name, first_residue_number=first_residue_number, sha_tag=sha_tag, MP=MP, - span_file=span_file, lipid_file=lipid_file, scale=scale) + span_file=span_file, lipid_file=lipid_file, deepTMHMM_file=deepTMHMM_file, scale=scale) create_copy(prism_gap_shifted_file, folder.output) pdb_gap_shifted_file = os.path.join(folder.ddG_output, 'relaxed_gap_shifted.pdb') @@ -637,7 +641,7 @@ def generate_output(folder, output_name='ddG.out', sys_name='', version=1, prism prism_gap_file = os.path.join(folder.ddG_output, f'prism_rosetta_{prism_nr}_{sys_name}-gap.txt') rosetta_to_prism(ddg_gap_file, prism_gap_file, sequence, rosetta_info=None, version=version, sys_name=sys_name, first_residue_number=1, sha_tag=sha_tag, MP=MP, - span_file=span_file, lipid_file=lipid_file, scale=scale) + span_file=span_file, lipid_file=lipid_file, deepTMHMM_file=deepTMHMM_file, scale=scale) create_copy(prism_gap_file, folder.output) pdb_gap_file = os.path.join(folder.ddG_output, 'relaxed_gap.pdb') diff --git a/software/rosetta_ddG_pipeline/mp_prepare.py b/software/rosetta_ddG_pipeline/mp_prepare.py index b23dc66..4cf6e42 100644 --- a/software/rosetta_ddG_pipeline/mp_prepare.py +++ b/software/rosetta_ddG_pipeline/mp_prepare.py @@ -218,7 +218,7 @@ def mp_superpose_span(pdbinput, outdir_path, span_file_list, filename, SLURM=Fal ref_model_id=0, target_model_id=0, write_opm=False) -def mp_span_from_deepTMHMM(pdbinput, outdir_path): +def mp_span_from_deepTMHMM(pdbinput, outdir_path, signal_TM=False): spanfiles = [] @@ -272,9 +272,14 @@ def mp_span_from_deepTMHMM(pdbinput, outdir_path): # get TM regions df = pd.read_csv(result_file, skiprows=3, delimiter='\t', header=None) df.rename(columns={0: 'ID', 1: 'location', 2:'start', 3: 'end'}, inplace=True) + df.to_csv(os.path.join(outdir_path, f"{os.path.splitext(os.path.basename(pdbinput))[0]}_{chain}_deepTMHMM.csv")) print(df['location'].unique()) - non_tm = ['outside', 'inside', 'periplasm', 'signal'] - tm = ['Beta sheet', 'TMhelix'] + if signal_TM: + non_tm = ['outside', 'inside', 'periplasm'] + tm = ['Beta sheet', 'TMhelix', 'signal'] + else: + non_tm = ['outside', 'inside', 'periplasm', 'signal'] + tm = ['Beta sheet', 'TMhelix'] TM_df = df.loc[~df['location'].isin(non_tm)] num_span = len(TM_df['start']) diff --git a/software/rosetta_ddG_pipeline/prism_rosetta_parser.py b/software/rosetta_ddG_pipeline/prism_rosetta_parser.py index 71656d5..76159de 100644 --- a/software/rosetta_ddG_pipeline/prism_rosetta_parser.py +++ b/software/rosetta_ddG_pipeline/prism_rosetta_parser.py @@ -34,8 +34,20 @@ def span_multi(x, region): out_tms.append('False') return ":".join(out_tms) +def deepTMHMM_multi(x, deepTM_start, deepTM_end, info_name): + print(x) + if not x in ['outside', 'inside', 'periplasm', 'Beta sheet', 'TMhelix', 'signal']: + resi = x[0] + if (int(resi) >= int(deepTM_start)) and (int(resi) <= int(deepTM_end)): + return info_name + else: + return x + else: + return x + + def rosetta_to_prism(ddg_file, prism_file, sequence, rosetta_info=None, version=1, sys_name='', - first_residue_number=1, sha_tag='', MP=False, span_file='', lipid_file='', scale=2.9): + first_residue_number=1, sha_tag='', MP=False, span_file='', lipid_file='', deepTMHMM_file='', scale=2.9): sequence = sequence.replace('-', 'X') # create prism file with rosetta values @@ -102,6 +114,15 @@ def split_multiple(variant): lipid_df = lipid_df['index'].astype(int).unique() dataframeset['LAR'] = dataframeset['resi'].apply(lambda x: span_multi(x, lipid_df)) + if deepTMHMM_file!='': + deepTMHMM_df = pd.read_csv(deepTMHMM_file, header=0) + dataframeset['deepTM'] = dataframeset['resi'] + for idx, row in deepTMHMM_df.iterrows(): + deepTM_start = row['start'] + deepTM_end = row['end'] + info_name = row['location'] + dataframeset['deepTM'] = dataframeset['deepTM'].apply(lambda x: deepTMHMM_multi(x, deepTM_start, deepTM_end, info_name)) + sha = sha_tag.split('tag')[0] tag = sha_tag.split('tag')[1] @@ -141,6 +162,8 @@ def split_multiple(variant): metadata['columns']['TMspan'] = 'Residue within the TM region defined by the Rosetta span file' if lipid_file!='': metadata['columns']['LAR'] = 'Lipid accessible residue defined by Rosetta' + if deepTMHMM_file!='': + metadata['columns']['deepTM'] = 'Protein regions defined by deepTMHMM' if first_residue_number != 1: metadata['protein']['first_residue_number'] = first_residue_number